#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gti s PRO 2 N 0.00 2.79 -0.02 0.52 0.04 -1.26 -3.69 135.00 133.38 1gti s PRO 2 Ca 0.00 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.00 1gti s PRO 2 Cb 0.00 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1gti s PRO 2 CO 0.00 -1.22 0.30 0.71 0.04 0.00 0.00 177.00 176.82 1gti s TYR 3 N -2.92 3.63 -0.09 0.56 2.02 -1.26 -2.19 117.35 117.09 1gti s TYR 3 Ca 0.60 0.72 -0.05 0.00 -0.37 0.00 0.00 57.07 57.97 1gti s TYR 3 Cb -0.15 -2.09 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1gti s TYR 3 CO 0.53 0.64 0.21 0.99 -1.57 0.00 0.00 175.55 176.35 1gti s THR 4 N -1.18 -0.04 -0.18 -0.71 2.01 -0.69 -0.96 115.64 113.88 1gti s THR 4 Ca 0.24 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 1gti s THR 4 Cb -0.14 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1gti s THR 4 CO 0.13 0.05 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.33 1gti s ILE 5 N 1.04 2.55 -0.27 1.82 1.01 -0.63 -1.46 121.20 125.26 1gti s ILE 5 Ca -0.08 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1gti s ILE 5 Cb -0.09 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1gti s ILE 5 CO -0.06 0.51 0.04 -0.69 0.00 0.00 0.00 174.94 174.73 1gti s VAL 6 N 1.16 3.77 0.29 2.92 1.01 -0.11 -1.01 120.40 128.43 1gti s VAL 6 Ca 0.01 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1gti s VAL 6 Cb -0.14 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1gti s VAL 6 CO -0.06 0.18 0.85 -0.47 0.00 0.00 0.00 175.10 175.60 1gti s TYR 7 N 1.49 0.01 0.79 5.22 5.04 -1.12 -1.31 117.35 127.47 1gti s TYR 7 Ca 0.03 -0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 54.02 1gti s TYR 7 Cb -0.16 0.76 0.07 0.00 0.35 0.00 0.00 41.96 42.97 1gti s TYR 7 CO 0.01 -1.28 1.09 -0.06 -1.34 0.00 0.00 175.55 173.97 1gti s PHE 8 N -2.76 2.68 0.00 4.97 0.08 -1.26 -1.74 117.98 119.94 1gti s PHE 8 Ca 0.15 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.57 1gti s PHE 8 Cb -0.04 -3.05 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1gti s PHE 8 CO 0.08 -1.82 1.40 -0.35 -0.10 0.00 0.00 175.22 174.43 1gti n PRO 9 N -3.51 0.70 -4.28 0.24 -0.04 -1.26 -4.78 135.00 122.08 1gti n PRO 9 Ca 0.08 -0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 1gti n PRO 9 Cb 0.54 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1gti n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gti s VAL 10 N 0.85 0.81 0.00 0.52 -7.23 -1.26 -4.42 120.40 109.68 1gti s VAL 10 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1gti s VAL 10 Cb 0.02 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1gti s VAL 10 CO 0.00 -0.40 0.43 0.54 -0.31 0.00 0.00 175.10 175.36 1gti n ARG 11 N -0.32 0.00 0.00 4.82 1.74 -0.37 -4.83 116.66 117.70 1gti n ARG 11 Ca -0.06 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1gti n ARG 11 Cb 0.64 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1gti n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gti n GLY 12 N 0.65 2.45 1.48 -0.13 0.00 -0.42 -1.66 105.19 107.57 1gti n GLY 12 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1gti n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gti n ARG 13 N 13.31 1.78 0.00 1.61 1.74 -1.26 -3.98 116.66 129.86 1gti n ARG 13 Ca 0.00 -1.37 0.00 0.00 -0.77 0.00 0.00 57.85 55.71 1gti n ARG 13 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1gti n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gti h GLU 15 N 0.00 0.00 -0.01 0.00 4.57 -1.68 -2.28 114.58 115.18 1gti h GLU 15 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1gti h GLU 15 Cb 0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1gti h GLU 15 CO 0.00 0.31 -0.01 0.00 -1.18 0.00 0.00 179.01 178.12 1gti h ALA 16 N 1.69 0.02 0.00 2.92 0.00 -1.86 -2.29 119.26 119.73 1gti h ALA 16 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1gti h ALA 16 Cb 0.86 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1gti h ALA 16 CO 0.04 -0.21 -0.25 0.00 0.00 0.00 0.00 179.25 178.83 1gti h MET 17 N -0.49 0.00 0.00 0.00 -0.00 -1.88 -1.91 114.93 110.65 1gti h MET 17 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1gti h MET 17 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.13 1gti h MET 17 CO 0.00 0.25 -0.59 0.00 -0.00 0.00 0.00 176.91 176.57 1gti h ARG 18 N 0.00 0.00 0.04 -0.10 3.08 -1.36 -2.27 114.38 113.77 1gti h ARG 18 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1gti h ARG 18 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.69 1gti h ARG 18 CO 0.03 0.59 -1.08 0.52 -1.07 0.00 0.00 179.97 178.96 1gti h MET 19 N 0.00 0.62 0.22 0.04 2.86 -0.81 -2.78 114.93 115.07 1gti h MET 19 Ca -0.01 -0.71 -0.01 0.00 -2.06 0.00 0.00 59.70 56.91 1gti h MET 19 Cb 1.14 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1gti h MET 19 CO 0.08 1.30 -0.10 1.25 1.06 0.00 0.00 176.91 180.49 1gti h LEU 20 N 0.33 -0.25 -0.95 1.22 6.46 -1.26 -0.03 115.31 120.83 1gti h LEU 20 Ca -0.14 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1gti h LEU 20 Cb 1.74 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.70 1gti h LEU 20 CO 0.21 -0.15 0.43 -0.07 -0.62 0.00 0.00 178.44 178.23 1gti h LEU 21 N -0.32 1.06 -0.88 2.25 3.38 -1.52 -1.91 115.31 117.36 1gti h LEU 21 Ca -0.03 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1gti h LEU 21 Cb 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1gti h LEU 21 CO 0.05 0.87 -0.31 0.00 0.09 0.00 0.00 178.44 179.14 1gti h ALA 22 N 1.29 1.05 0.00 1.53 0.00 -1.27 0.49 119.26 122.36 1gti h ALA 22 Ca 0.29 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1gti h ALA 22 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gti h ALA 22 CO -0.04 0.58 -0.66 0.22 0.00 0.00 0.00 179.25 179.35 1gti h ASP 23 N 0.40 0.00 -0.54 0.00 3.58 -0.65 -3.14 116.42 116.06 1gti h ASP 23 Ca 0.05 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.32 1gti h ASP 23 Cb 0.74 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.68 1gti h ASP 23 CO 0.06 0.66 0.23 0.00 -2.88 0.00 0.00 179.24 177.31 1gti n GLN 24 N -3.54 2.75 -1.03 0.28 1.13 -0.75 -4.89 117.38 111.33 1gti n GLN 24 Ca -0.00 -2.12 -0.01 0.00 -1.94 0.00 0.00 57.00 52.93 1gti n GLN 24 Cb 0.70 -1.92 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 1gti n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gti n GLY 25 N -0.11 0.14 3.88 1.08 0.00 -1.19 -4.95 105.19 104.04 1gti n GLY 25 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 1gti n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gti s GLN 26 N -2.11 3.28 0.00 1.61 -1.52 0.15 -5.02 119.66 116.06 1gti s GLN 26 Ca 0.00 0.55 0.03 0.00 -1.95 0.00 0.00 55.36 53.99 1gti s GLN 26 Cb 0.00 -2.09 -0.01 0.00 -0.22 0.00 0.00 33.01 30.69 1gti s GLN 26 CO 0.00 -0.72 -0.09 -1.54 -0.25 0.00 0.00 175.29 172.69 1gti s SER 27 N -4.25 1.07 0.29 5.90 1.04 -1.26 -4.32 113.70 112.17 1gti s SER 27 Ca 0.55 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.79 1gti s SER 27 Cb -0.11 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.85 1gti s SER 27 CO 0.52 0.07 0.08 -1.66 0.98 0.00 0.00 173.24 173.23 1gti s TRP 28 N -0.37 1.75 -0.23 5.02 -2.14 -1.26 -4.33 118.94 117.38 1gti s TRP 28 Ca 0.02 -1.08 -0.06 0.00 2.66 0.00 0.00 56.10 57.65 1gti s TRP 28 Cb -0.04 -1.09 -0.02 0.00 -3.10 0.00 0.00 33.47 29.21 1gti s TRP 28 CO -0.00 -0.17 0.02 0.21 -2.66 0.00 0.00 176.95 174.35 1gti s LYS 29 N -3.96 3.57 -0.19 3.25 2.20 -0.14 -4.99 119.74 119.49 1gti s LYS 29 Ca 0.37 -0.53 -0.21 0.00 -0.36 0.00 0.00 55.97 55.24 1gti s LYS 29 Cb 0.08 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1gti s LYS 29 CO 0.15 -0.13 0.63 -2.00 -0.36 0.00 0.00 175.35 173.64 1gti s GLU 30 N 1.38 4.22 -0.33 4.03 2.56 -1.26 -1.61 118.70 127.69 1gti s GLU 30 Ca 0.05 0.63 0.04 0.00 0.00 0.00 0.00 54.97 55.68 1gti s GLU 30 Cb -0.15 -3.57 0.10 0.00 2.00 0.00 0.00 34.13 32.51 1gti s GLU 30 CO 0.01 -0.23 0.05 -2.00 -0.56 0.00 0.00 175.26 172.53 1gti s GLU 31 N 1.88 1.47 0.25 4.30 2.12 -0.18 -4.97 118.70 123.57 1gti s GLU 31 Ca 0.29 -1.82 -0.30 0.00 0.36 0.00 0.00 54.97 53.51 1gti s GLU 31 Cb -0.16 -3.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 1gti s GLU 31 CO 0.11 -0.93 0.97 0.08 -0.54 0.00 0.00 175.26 174.95 1gti s VAL 32 N 0.94 3.97 -0.24 3.70 1.01 -1.26 -2.80 120.40 125.73 1gti s VAL 32 Ca 0.10 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 1gti s VAL 32 Cb -0.19 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.02 1gti s VAL 32 CO -0.09 0.46 0.01 -0.69 0.00 0.00 0.00 175.10 174.79 1gti s VAL 33 N -1.20 1.10 0.75 2.92 1.01 -0.71 -4.94 120.40 119.32 1gti s VAL 33 Ca 0.42 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1gti s VAL 33 Cb -0.27 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1gti s VAL 33 CO 0.33 -0.25 1.08 0.42 0.00 0.00 0.00 175.10 176.68 1gti s THR 34 N 1.58 3.56 0.44 3.92 -4.23 -1.26 -4.14 115.64 115.50 1gti s THR 34 Ca -0.01 0.51 0.13 0.00 -1.18 0.00 0.00 61.69 61.13 1gti s THR 34 Cb -0.18 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.77 1gti s THR 34 CO -0.10 -0.66 2.00 0.40 -0.54 0.00 0.00 174.62 175.72 1gti h ILE 35 N -0.99 1.12 -0.49 2.99 2.04 -1.99 -0.08 117.51 120.11 1gti h ILE 35 Ca -0.44 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 1gti h ILE 35 Cb 1.23 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1gti h ILE 35 CO 0.53 0.17 -0.06 0.44 0.00 0.00 0.00 178.15 179.23 1gti h ASP 36 N 0.11 0.90 -0.22 1.72 5.19 -2.04 -2.98 116.42 119.09 1gti h ASP 36 Ca 0.02 -0.34 -0.16 0.00 -0.62 0.00 0.00 57.03 55.94 1gti h ASP 36 Cb 0.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1gti h ASP 36 CO 0.02 1.03 -0.45 0.74 -3.12 0.00 0.00 179.24 177.45 1gti h THR 37 N 0.76 1.29 -1.67 0.35 2.02 -1.68 -3.29 112.91 110.69 1gti h THR 37 Ca 0.13 -1.64 0.50 0.00 0.77 0.00 0.00 66.41 66.17 1gti h THR 37 Cb 0.60 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.46 1gti h THR 37 CO 0.04 0.53 1.18 -0.25 0.37 0.00 0.00 175.52 177.39 1gti h TRP 38 N 0.63 0.11 -0.00 3.16 -0.00 -0.88 -1.62 115.95 117.35 1gti h TRP 38 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1gti h TRP 38 Cb 1.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 30.16 1gti h TRP 38 CO 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 1gti h MET 39 N 0.02 0.00 0.00 2.65 -0.00 -1.68 -3.47 114.93 112.45 1gti h MET 39 Ca 0.84 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.54 1gti h MET 39 Cb 3.21 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 34.81 1gti h MET 39 CO -0.10 0.03 0.00 1.04 -0.00 0.00 0.00 176.91 177.88 1gti n GLN 40 N -5.08 0.00 0.00 -0.10 6.02 -0.61 -4.92 117.38 112.69 1gti n GLN 40 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1gti n GLN 40 Cb 0.04 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.30 1gti n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gti n GLY 41 N 0.00 -1.07 3.27 1.08 0.00 -1.26 -5.07 105.19 102.14 1gti n GLY 41 Ca 0.00 0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 1gti n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gti s LEU 42 N -1.34 6.13 -0.01 0.99 1.43 -1.26 -5.03 118.68 119.59 1gti s LEU 42 Ca 0.00 -2.13 0.00 0.00 -1.03 0.00 0.00 54.13 50.97 1gti s LEU 42 Cb 0.00 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1gti s LEU 42 CO 0.00 -0.71 -0.00 -1.48 0.23 0.00 0.00 176.35 174.39 1gti s LEU 43 N 1.05 1.79 0.32 1.79 2.34 -1.26 -5.02 118.68 119.69 1gti s LEU 43 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.27 1gti s LEU 43 Cb -0.23 -0.07 0.00 0.00 -0.56 0.00 0.00 46.19 45.33 1gti s LEU 43 CO -0.01 -0.02 0.00 1.17 -1.06 0.00 0.00 176.35 176.43 1gti n LYS 44 N 3.32 0.00 0.19 1.48 4.81 -1.26 -4.93 118.16 121.77 1gti n LYS 44 Ca -0.16 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.40 1gti n LYS 44 Cb 0.57 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.82 1gti n LYS 44 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1gti h PRO 45 N 0.00 0.00 -1.13 1.64 0.13 -2.06 -3.38 132.00 127.20 1gti h PRO 45 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gti h PRO 45 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1gti h PRO 45 CO 0.00 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.18 1gti n THR 46 N -2.94 0.43 0.01 1.56 -1.04 -1.26 -5.10 114.28 105.94 1gti n THR 46 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1gti n THR 46 Cb 0.52 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1gti n THR 46 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1gti n LEU 48 N 0.52 0.05 -0.32 -4.42 7.94 -1.26 -5.07 117.00 114.43 1gti n LEU 48 Ca 0.00 0.03 0.13 0.00 -1.11 0.00 0.00 56.01 55.06 1gti n LEU 48 Cb 0.27 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.59 1gti n LEU 48 CO 0.00 -0.52 0.67 -1.22 -1.11 0.00 0.00 177.39 175.20 1gti n TYR 49 N -2.59 0.00 -0.59 1.96 4.01 -1.26 -4.94 117.16 113.74 1gti n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1gti n TYR 49 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 1gti n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gti n GLY 50 N 1.32 0.73 2.64 2.72 0.00 -1.26 -5.05 105.19 106.29 1gti n GLY 50 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1gti n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gti n GLN 51 N -2.40 0.81 -4.50 1.61 6.02 -1.26 -5.18 117.38 112.48 1gti n GLN 51 Ca 0.00 -2.71 -0.24 0.00 -0.01 0.00 0.00 57.00 54.05 1gti n GLN 51 Cb 0.00 1.18 -0.10 0.00 1.02 0.00 0.00 30.24 32.34 1gti n GLN 51 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1gti s LEU 52 N 0.00 2.27 0.90 1.08 1.43 -1.26 -4.82 118.68 118.28 1gti s LEU 52 Ca 0.10 -1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 51.64 1gti s LEU 52 Cb 0.00 -0.44 0.13 0.00 0.03 0.00 0.00 46.19 45.91 1gti s LEU 52 CO 0.07 -0.64 1.15 -2.16 0.23 0.00 0.00 176.35 175.00 1gti s PRO 53 N -3.84 1.20 -0.09 1.29 0.04 -1.26 -4.90 135.00 127.44 1gti s PRO 53 Ca 0.33 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.60 1gti s PRO 53 Cb 0.08 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1gti s PRO 53 CO 0.15 -2.14 -0.11 0.21 0.04 0.00 0.00 177.00 175.15 1gti s LYS 54 N -5.37 1.72 0.05 4.56 2.20 -0.43 -4.15 119.74 118.33 1gti s LYS 54 Ca 0.64 -0.38 0.05 0.00 -0.36 0.00 0.00 55.97 55.92 1gti s LYS 54 Cb -0.13 -1.54 -0.04 0.00 -1.51 0.00 0.00 37.83 34.61 1gti s LYS 54 CO 0.53 -0.09 -0.08 0.12 -0.36 0.00 0.00 175.35 175.47 1gti s PHE 55 N 1.06 2.83 -0.15 4.03 5.36 -0.45 -0.94 117.98 129.73 1gti s PHE 55 Ca -0.07 -0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1gti s PHE 55 Cb -0.15 -1.53 0.04 0.00 -0.34 0.00 0.00 43.02 41.05 1gti s PHE 55 CO -0.01 0.40 -0.02 -1.21 -1.46 0.00 0.00 175.22 172.92 1gti s GLU 56 N -1.80 1.02 -0.36 10.12 2.02 -0.54 -0.96 118.70 128.20 1gti s GLU 56 Ca 0.20 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.85 1gti s GLU 56 Cb -0.11 -1.75 0.09 0.00 0.10 0.00 0.00 34.13 32.46 1gti s GLU 56 CO 0.11 -0.45 0.11 0.34 0.02 0.00 0.00 175.26 175.39 1gti s ASP 57 N 1.78 5.04 1.95 -0.19 -1.08 -0.38 -1.71 116.67 122.08 1gti s ASP 57 Ca 0.02 -1.82 0.00 0.00 -0.52 0.00 0.00 52.55 50.22 1gti s ASP 57 Cb -0.15 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1gti s ASP 57 CO -0.07 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 175.81 1gti n GLY 58 N 4.53 4.26 2.45 2.66 0.00 -0.93 -1.34 105.19 116.83 1gti n GLY 58 Ca -0.04 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1gti n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gti n ASP 59 N 9.04 6.27 -3.84 1.61 5.68 -1.26 -4.83 116.55 129.21 1gti n ASP 59 Ca 0.00 -3.78 -0.28 0.00 -0.50 0.00 0.00 54.79 50.24 1gti n ASP 59 Cb 0.00 -0.72 -0.16 0.00 -1.14 0.00 0.00 41.12 39.09 1gti n ASP 59 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1gti s LEU 60 N -3.77 1.48 -0.17 -2.12 2.96 -0.45 -5.13 118.68 111.48 1gti s LEU 60 Ca 0.54 -0.68 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 1gti s LEU 60 Cb 0.44 -0.81 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1gti s LEU 60 CO -0.15 -0.22 0.15 -0.89 -1.32 0.00 0.00 176.35 173.92 1gti s THR 61 N 1.71 5.43 0.10 3.68 2.01 -1.26 -1.25 115.64 126.05 1gti s THR 61 Ca 0.00 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1gti s THR 61 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1gti s THR 61 CO -0.07 0.50 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.51 1gti s LEU 62 N -0.11 2.43 0.39 4.42 1.43 -0.13 -5.00 118.68 122.10 1gti s LEU 62 Ca 0.11 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1gti s LEU 62 Cb -0.12 -0.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1gti s LEU 62 CO 0.01 -0.31 0.11 -0.31 0.23 0.00 0.00 176.35 176.07 1gti s TYR 63 N -2.69 1.82 0.02 0.29 2.02 -1.26 -1.34 117.35 116.21 1gti s TYR 63 Ca 0.06 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.57 1gti s TYR 63 Cb -0.01 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 1gti s TYR 63 CO -0.01 -0.20 0.00 1.04 -1.57 0.00 0.00 175.55 174.81 1gti n GLN 64 N -0.87 -2.59 -0.33 -0.62 1.13 -1.26 -4.40 117.38 108.44 1gti n GLN 64 Ca -0.06 2.13 0.10 0.00 -1.94 0.00 0.00 57.00 57.23 1gti n GLN 64 Cb 0.65 -2.54 0.28 0.00 0.11 0.00 0.00 30.24 28.75 1gti n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1gti h SER 65 N 2.11 0.70 0.63 1.08 4.64 -1.88 -1.67 113.55 119.16 1gti h SER 65 Ca 0.00 0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1gti h SER 65 Cb 0.00 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1gti h SER 65 CO 0.00 0.27 -0.69 0.78 -0.87 0.00 0.00 176.83 176.32 1gti h ASN 66 N 0.73 0.06 0.31 4.97 2.35 -1.93 -2.29 115.58 119.77 1gti h ASN 66 Ca 0.53 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 56.13 1gti h ASN 66 Cb 0.78 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1gti h ASN 66 CO -0.37 0.73 -0.46 0.00 -1.65 0.00 0.00 177.43 175.68 1gti h ALA 67 N 1.26 1.08 -0.23 -0.83 0.00 -1.56 -2.18 119.26 116.80 1gti h ALA 67 Ca -0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1gti h ALA 67 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1gti h ALA 67 CO 0.09 0.62 -0.58 0.82 0.00 0.00 0.00 179.25 180.20 1gti h ILE 68 N 0.15 1.29 -0.41 0.00 2.04 -1.26 -2.31 117.51 117.01 1gti h ILE 68 Ca 0.01 -1.78 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 1gti h ILE 68 Cb 0.88 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1gti h ILE 68 CO 0.07 0.57 0.19 -0.07 0.00 0.00 0.00 178.15 178.91 1gti h LEU 69 N 0.56 0.54 -1.46 1.44 3.38 -1.22 -2.11 115.31 116.44 1gti h LEU 69 Ca -0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1gti h LEU 69 Cb 1.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1gti h LEU 69 CO 0.13 0.52 -0.27 0.03 0.09 0.00 0.00 178.44 178.94 1gti h ARG 70 N 0.53 0.00 0.06 1.13 3.08 -1.40 -0.37 114.38 117.39 1gti h ARG 70 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1gti h ARG 70 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1gti h ARG 70 CO -0.02 0.27 -0.03 1.25 -1.07 0.00 0.00 179.97 180.38 1gti h HIS 71 N 0.00 -0.07 0.00 3.04 2.76 -0.98 -1.99 115.15 117.90 1gti h HIS 71 Ca -0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1gti h HIS 71 Cb 0.54 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 1gti h HIS 71 CO 0.00 0.32 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.77 1gti h LEU 72 N -0.48 0.00 -0.80 0.26 3.38 -1.20 -1.51 115.31 114.97 1gti h LEU 72 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1gti h LEU 72 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1gti h LEU 72 CO 0.01 0.11 -0.40 1.23 0.09 0.00 0.00 178.44 179.48 1gti h GLY 73 N 0.79 0.00 0.00 0.83 0.00 -0.73 -2.16 103.07 101.80 1gti h GLY 73 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1gti h GLY 73 CO 0.01 0.00 -1.11 3.21 0.00 0.00 0.00 176.54 178.65 1gti h ARG 74 N 0.00 0.00 -0.37 4.80 3.08 -0.57 0.63 114.38 121.96 1gti h ARG 74 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1gti h ARG 74 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 1gti h ARG 74 CO 0.05 0.99 -0.19 0.66 -1.07 0.00 0.00 179.97 180.41 1gti h SER 75 N -1.00 0.70 -0.48 7.04 4.64 -1.41 -3.04 113.55 119.99 1gti h SER 75 Ca -0.31 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1gti h SER 75 Cb 1.26 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1gti h SER 75 CO -0.19 0.89 0.00 0.18 -0.87 0.00 0.00 176.83 176.84 1gti n LEU 76 N -4.13 2.78 -3.14 5.97 4.77 -0.81 -4.96 117.00 117.47 1gti n LEU 76 Ca 0.00 -1.35 -0.17 0.00 -0.03 0.00 0.00 56.01 54.47 1gti n LEU 76 Cb 0.40 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1gti n LEU 76 CO 0.43 0.67 0.13 0.61 -1.33 0.00 0.00 177.39 177.91 1gti n GLY 77 N 1.34 -0.29 2.32 -0.72 0.00 -1.15 -4.95 105.19 101.74 1gti n GLY 77 Ca 0.18 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1gti n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gti n LEU 78 N -3.93 4.34 -1.11 0.99 4.77 0.18 -4.76 117.00 117.47 1gti n LEU 78 Ca -0.17 -4.75 0.05 0.00 -0.03 0.00 0.00 56.01 51.10 1gti n LEU 78 Cb 0.62 -0.28 0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1gti n LEU 78 CO 0.54 2.05 0.20 0.00 -1.33 0.00 0.00 177.39 178.84 1gti n TYR 79 N -0.56 0.03 0.00 -1.77 4.19 -0.98 -2.61 117.16 115.47 1gti n TYR 79 Ca 0.37 -0.98 0.00 0.00 3.31 0.00 0.00 57.90 60.59 1gti n TYR 79 Cb 0.81 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 40.45 1gti n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gti n GLY 80 N -0.25 -1.06 0.10 2.98 0.00 -1.26 -4.31 105.19 101.39 1gti n GLY 80 Ca 0.12 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.58 1gti n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gti n LYS 81 N -0.93 2.51 -3.90 1.61 2.85 -1.26 -4.99 118.16 114.05 1gti n LYS 81 Ca 0.00 -0.25 -0.08 0.00 -1.05 0.00 0.00 58.31 56.93 1gti n LYS 81 Cb 0.00 -1.13 -0.02 0.00 -0.65 0.00 0.00 35.03 33.23 1gti n LYS 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1gti s ASN 82 N -2.00 -0.11 0.24 -5.58 2.20 -1.26 -5.06 114.94 103.37 1gti s ASN 82 Ca 0.07 -0.83 -0.05 0.00 -0.94 0.00 0.00 52.86 51.11 1gti s ASN 82 Cb 0.10 0.71 0.40 0.00 -2.00 0.00 0.00 41.25 40.46 1gti s ASN 82 CO 0.45 -1.35 1.78 1.56 -2.94 0.00 0.00 177.10 176.60 1gti h GLN 83 N 2.07 0.61 -0.20 3.55 4.20 -1.96 -1.71 115.11 121.67 1gti h GLN 83 Ca -0.23 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.46 1gti h GLN 83 Cb 1.25 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 1gti h GLN 83 CO 0.30 0.41 0.04 -0.09 -0.67 0.00 0.00 178.83 178.82 1gti h ARG 84 N 0.63 0.12 0.00 1.46 2.43 -1.99 -0.81 114.38 116.21 1gti h ARG 84 Ca 0.39 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1gti h ARG 84 Cb 0.45 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1gti h ARG 84 CO -0.30 0.08 -0.28 0.93 -1.51 0.00 0.00 179.97 178.90 1gti h GLU 85 N 0.12 0.00 -0.14 0.20 5.08 -1.84 -1.58 114.58 116.43 1gti h GLU 85 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 1gti h GLU 85 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1gti h GLU 85 CO -0.12 0.28 -0.60 0.00 -1.00 0.00 0.00 179.01 177.57 1gti h ALA 86 N 1.72 0.26 -0.43 3.43 0.00 -0.70 -2.35 119.26 121.20 1gti h ALA 86 Ca -0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1gti h ALA 86 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1gti h ALA 86 CO 0.04 0.51 -0.30 0.00 0.00 0.00 0.00 179.25 179.50 1gti h ALA 87 N 0.53 0.62 0.00 0.00 0.00 -0.94 -2.76 119.26 116.71 1gti h ALA 87 Ca -0.03 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1gti h ALA 87 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1gti h ALA 87 CO 0.13 0.67 -0.27 1.96 0.00 0.00 0.00 179.25 181.73 1gti h GLN 88 N 0.81 0.00 0.00 0.00 4.20 -1.34 -2.01 115.11 116.77 1gti h GLN 88 Ca 0.08 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1gti h GLN 88 Cb 0.89 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1gti h GLN 88 CO 0.08 0.27 -0.68 0.52 -0.67 0.00 0.00 178.83 178.36 1gti h MET 89 N 0.00 0.00 0.02 1.46 2.86 -1.22 -2.61 114.93 115.44 1gti h MET 89 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 1gti h MET 89 Cb 0.69 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.37 1gti h MET 89 CO 0.04 0.68 -0.94 -0.44 1.06 0.00 0.00 176.91 177.31 1gti h ASP 90 N 0.00 0.78 -0.64 1.22 3.32 -1.19 -2.17 116.42 117.74 1gti h ASP 90 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 1gti h ASP 90 Cb 1.35 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1gti h ASP 90 CO 0.09 1.45 0.41 -0.03 -1.72 0.00 0.00 179.24 179.45 1gti h MET 91 N 0.20 0.86 -0.01 3.56 4.05 -1.36 -0.51 114.93 121.72 1gti h MET 91 Ca -0.12 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.13 1gti h MET 91 Cb 1.62 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 32.24 1gti h MET 91 CO 0.18 0.58 -0.43 0.28 0.23 0.00 0.00 176.91 177.76 1gti h VAL 92 N 0.88 1.47 -0.59 -5.77 2.07 -1.49 -2.98 116.25 109.84 1gti h VAL 92 Ca 0.24 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1gti h VAL 92 Cb -0.08 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1gti h VAL 92 CO -0.05 0.56 0.30 -1.13 0.02 0.00 0.00 177.57 177.27 1gti h ASN 93 N -0.26 0.73 -0.17 0.57 -1.24 -1.09 -1.90 115.58 112.22 1gti h ASN 93 Ca -0.05 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 56.80 1gti h ASN 93 Cb 1.15 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 1gti h ASN 93 CO 0.08 0.61 -0.19 0.44 -1.29 0.00 0.00 177.43 177.09 1gti h ASP 94 N 0.82 0.59 -0.11 1.15 5.19 -1.16 -1.44 116.42 121.46 1gti h ASP 94 Ca 0.21 -0.19 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 1gti h ASP 94 Cb 0.06 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1gti h ASP 94 CO -0.03 0.79 -0.29 1.23 -3.12 0.00 0.00 179.24 177.81 1gti h GLY 95 N 0.98 0.63 1.08 2.75 0.00 -1.21 -1.75 103.07 105.56 1gti h GLY 95 Ca 0.09 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1gti h GLY 95 CO 0.04 0.51 -0.06 -2.08 0.00 0.00 0.00 176.54 174.95 1gti h VAL 96 N 0.50 1.27 -0.65 4.60 2.07 -1.00 -2.89 116.25 120.16 1gti h VAL 96 Ca 0.06 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1gti h VAL 96 Cb 0.76 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1gti h VAL 96 CO 0.06 0.43 0.14 -0.08 0.02 0.00 0.00 177.57 178.14 1gti h GLU 97 N 0.92 1.05 -0.64 1.57 4.57 -1.02 -0.51 114.58 120.52 1gti h GLU 97 Ca 0.15 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1gti h GLU 97 Cb 0.62 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1gti h GLU 97 CO 0.04 0.96 0.39 -0.44 -1.18 0.00 0.00 179.01 178.78 1gti h ASP 98 N 0.97 0.63 0.40 1.04 3.32 -1.18 0.10 116.42 121.70 1gti h ASP 98 Ca 0.20 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1gti h ASP 98 Cb 0.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1gti h ASP 98 CO 0.01 0.44 -0.64 0.25 -1.72 0.00 0.00 179.24 177.57 1gti h LEU 99 N 0.76 0.26 -0.97 1.55 5.85 -1.30 -2.87 115.31 118.59 1gti h LEU 99 Ca 0.26 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1gti h LEU 99 Cb 0.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1gti h LEU 99 CO -0.11 0.83 -0.50 -0.09 -0.34 0.00 0.00 178.44 178.23 1gti h ARG 100 N 0.16 0.03 -0.44 1.25 2.43 -0.40 -1.82 114.38 115.59 1gti h ARG 100 Ca -0.01 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1gti h ARG 100 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1gti h ARG 100 CO 0.10 0.53 -0.13 0.78 -1.51 0.00 0.00 179.97 179.73 1gti h GLY 101 N 1.49 0.94 1.02 2.80 0.00 -0.63 -1.82 103.07 106.87 1gti h GLY 101 Ca -0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 1gti h GLY 101 CO 0.07 0.73 0.11 0.50 0.00 0.00 0.00 176.54 177.95 1gti h LYS 102 N 0.70 0.94 -0.50 4.80 1.57 -1.29 -1.83 116.57 120.97 1gti h LYS 102 Ca 0.11 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1gti h LYS 102 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1gti h LYS 102 CO 0.05 0.89 0.27 -0.92 -0.57 0.00 0.00 179.45 179.17 1gti h TYR 103 N 0.85 0.68 -0.63 -1.35 3.20 -1.21 -1.13 116.97 117.38 1gti h TYR 103 Ca 0.18 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1gti h TYR 103 Cb 0.39 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1gti h TYR 103 CO 0.03 0.51 0.16 0.28 -1.64 0.00 0.00 178.16 177.50 1gti h VAL 104 N 0.66 1.25 -0.68 1.81 2.07 -1.17 -1.67 116.25 118.50 1gti h VAL 104 Ca 0.17 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1gti h VAL 104 Cb 0.05 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1gti h VAL 104 CO -0.03 0.34 0.24 0.74 0.02 0.00 0.00 177.57 178.88 1gti h THR 105 N 0.94 1.25 0.60 2.57 2.02 -0.90 -2.08 112.91 117.30 1gti h THR 105 Ca 0.20 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1gti h THR 105 Cb 0.32 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1gti h THR 105 CO -0.00 0.32 -0.29 0.25 0.37 0.00 0.00 175.52 176.17 1gti h LEU 106 N 0.99 -0.68 -0.93 2.58 5.85 -0.82 -0.30 115.31 122.00 1gti h LEU 106 Ca 0.22 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1gti h LEU 106 Cb 0.25 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1gti h LEU 106 CO -0.01 -0.38 0.57 0.40 -0.34 0.00 0.00 178.44 178.68 1gti h ILE 107 N -0.96 0.95 0.00 4.05 1.08 -1.28 -0.26 117.51 121.08 1gti h ILE 107 Ca -0.08 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.00 1gti h ILE 107 Cb 0.66 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 1gti h ILE 107 CO 0.13 0.17 -1.76 -1.22 -0.69 0.00 0.00 178.15 174.79 1gti n TYR 108 N -4.64 0.34 0.00 1.37 4.02 -0.79 -4.54 117.16 112.91 1gti n TYR 108 Ca 0.16 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1gti n TYR 108 Cb 0.28 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 1gti n TYR 108 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1gti n THR 109 N -2.49 0.00 -2.70 -0.72 -2.24 -0.13 -4.92 114.28 101.08 1gti n THR 109 Ca -0.07 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 1gti n THR 109 Cb 0.67 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.87 1gti n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1gti n ASN 110 N -0.98 -1.84 -0.04 3.42 5.15 -0.82 -5.02 115.26 115.14 1gti n ASN 110 Ca 0.00 -2.52 -0.13 0.00 -0.60 0.00 0.00 54.58 51.34 1gti n ASN 110 Cb 0.00 1.17 -0.08 0.00 -0.53 0.00 0.00 39.78 40.34 1gti n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1gti h TYR 111 N 2.04 0.27 0.43 1.20 3.20 -1.31 -1.98 116.97 120.82 1gti h TYR 111 Ca -0.30 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.48 1gti h TYR 111 Cb 1.26 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1gti h TYR 111 CO 0.13 0.60 -0.20 0.93 -1.64 0.00 0.00 178.16 177.97 1gti h GLU 112 N -0.14 -0.55 0.04 1.82 3.07 -1.95 -2.82 114.58 114.05 1gti h GLU 112 Ca 0.02 0.04 -0.30 0.00 -0.50 0.00 0.00 59.36 58.62 1gti h GLU 112 Cb 0.53 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.53 1gti h GLU 112 CO 0.02 -0.36 -1.64 -0.97 -1.40 0.00 0.00 179.01 174.65 1gti h ASN 113 N -0.58 0.14 1.61 1.42 -1.24 -1.99 -3.39 115.58 111.55 1gti h ASN 113 Ca -0.06 -0.26 -0.06 0.00 0.71 0.00 0.00 56.30 56.63 1gti h ASN 113 Cb 0.44 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1gti h ASN 113 CO 0.10 1.23 -0.29 1.23 -1.29 0.00 0.00 177.43 178.41 1gti h GLY 114 N 2.71 0.00 -0.31 1.57 0.00 -1.48 -3.38 103.07 102.18 1gti h GLY 114 Ca -0.27 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.18 1gti h GLY 114 CO 0.10 0.00 -0.21 1.70 0.00 0.00 0.00 176.54 178.14 1gti h LYS 115 N 0.00 -0.05 -0.73 4.80 3.64 -1.60 -1.06 116.57 121.57 1gti h LYS 115 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1gti h LYS 115 Cb 1.17 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1gti h LYS 115 CO 0.04 -0.03 0.46 -0.97 -2.27 0.00 0.00 179.45 176.68 1gti h ASN 116 N -0.05 0.77 0.22 4.20 -1.24 -1.87 -1.54 115.58 116.07 1gti h ASN 116 Ca 0.29 -0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.18 1gti h ASN 116 Cb 0.50 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1gti h ASN 116 CO -0.66 0.54 -0.45 0.44 -1.29 0.00 0.00 177.43 176.00 1gti h ASP 117 N 0.91 0.30 0.30 1.15 5.19 -1.58 -2.55 116.42 120.15 1gti h ASP 117 Ca 0.29 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1gti h ASP 117 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1gti h ASP 117 CO -0.10 0.71 -0.15 0.22 -3.12 0.00 0.00 179.24 176.80 1gti h TYR 118 N 0.23 -0.38 -0.12 4.55 3.20 -0.75 -2.60 116.97 121.11 1gti h TYR 118 Ca 0.02 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1gti h TYR 118 Cb 0.89 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1gti h TYR 118 CO 0.02 -0.03 0.10 0.28 -1.64 0.00 0.00 178.16 176.89 1gti h VAL 119 N -0.82 0.70 0.01 1.81 2.07 -1.33 0.75 116.25 119.44 1gti h VAL 119 Ca -0.04 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.29 1gti h VAL 119 Cb 0.52 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1gti h VAL 119 CO 0.07 0.00 -0.87 0.50 0.02 0.00 0.00 177.57 177.29 1gti h LYS 120 N 0.00 0.06 0.00 1.57 3.64 -1.39 -3.24 116.57 117.21 1gti h LYS 120 Ca 0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1gti h LYS 120 Cb 0.26 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1gti h LYS 120 CO -0.00 0.89 -0.80 0.00 -2.27 0.00 0.00 179.45 177.27 1gti n ALA 121 N -2.40 3.95 -0.14 5.00 0.00 -0.46 -4.51 120.51 121.94 1gti n ALA 121 Ca -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.94 1gti n ALA 121 Cb 0.82 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 19.36 1gti n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gti h LEU 122 N 0.00 -0.05 -2.49 0.00 5.85 -0.93 -2.22 115.31 115.47 1gti h LEU 122 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1gti h LEU 122 Cb 0.55 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1gti h LEU 122 CO 0.00 0.01 0.10 1.55 -0.34 0.00 0.00 178.44 179.76 1gti h PRO 123 N 0.19 0.00 0.00 5.25 0.13 -1.79 -0.46 132.00 135.32 1gti h PRO 123 Ca 0.23 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.21 1gti h PRO 123 Cb 0.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 1gti h PRO 123 CO -0.32 0.00 -0.70 0.78 -0.23 0.00 0.00 178.00 177.53 1gti h GLY 124 N 0.00 0.00 1.45 1.56 0.00 -1.71 -2.96 103.07 101.41 1gti h GLY 124 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.10 1gti h GLY 124 CO -0.00 0.00 -1.38 0.45 0.00 0.00 0.00 176.54 175.61 1gti h HIS 125 N 0.00 0.05 0.00 5.60 3.86 -1.11 -3.34 115.15 120.22 1gti h HIS 125 Ca -0.01 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1gti h HIS 125 Cb 1.37 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1gti h HIS 125 CO 0.00 1.05 -0.00 -0.07 0.86 0.00 0.00 177.93 179.77 1gti h LEU 126 N 0.01 0.00 -0.78 2.43 3.38 -1.44 -3.36 115.31 115.55 1gti h LEU 126 Ca -0.16 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1gti h LEU 126 Cb 1.91 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.59 1gti h LEU 126 CO 0.11 0.00 0.46 0.50 0.09 0.00 0.00 178.44 179.60 1gti h LYS 127 N 0.00 0.78 -0.90 1.13 3.64 -1.64 -2.69 116.57 116.89 1gti h LYS 127 Ca 0.00 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1gti h LYS 127 Cb 1.00 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1gti h LYS 127 CO 0.00 0.52 0.58 -1.35 -2.27 0.00 0.00 179.45 176.93 1gti h PRO 128 N 0.81 0.98 -0.24 1.90 0.11 -1.80 -1.10 132.00 132.66 1gti h PRO 128 Ca 0.36 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 1gti h PRO 128 Cb 0.25 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1gti h PRO 128 CO -0.20 0.65 -0.26 0.74 -0.21 0.00 0.00 178.00 178.71 1gti h PHE 129 N 1.01 0.50 -0.44 0.65 0.04 -1.73 -1.40 116.94 115.57 1gti h PHE 129 Ca 0.39 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.97 1gti h PHE 129 Cb 0.22 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1gti h PHE 129 CO -0.00 0.67 -0.05 1.49 -0.60 0.00 0.00 178.31 179.82 1gti h GLU 130 N 0.40 0.81 -0.74 1.51 4.57 -1.17 -2.52 114.58 117.43 1gti h GLU 130 Ca 0.06 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 1gti h GLU 130 Cb 0.67 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 1gti h GLU 130 CO 0.05 0.90 0.31 1.15 -1.18 0.00 0.00 179.01 180.24 1gti h THR 131 N 0.64 1.25 -0.75 0.32 2.02 -0.92 -2.79 112.91 112.69 1gti h THR 131 Ca 0.12 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1gti h THR 131 Cb 0.57 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1gti h THR 131 CO 0.03 0.31 0.44 -0.07 0.37 0.00 0.00 175.52 176.61 1gti h LEU 132 N 1.06 0.90 -0.31 2.58 3.38 -1.08 -2.66 115.31 119.18 1gti h LEU 132 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1gti h LEU 132 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1gti h LEU 132 CO -0.02 0.71 0.15 -0.07 0.09 0.00 0.00 178.44 179.29 1gti h LEU 133 N 1.02 0.40 -1.42 1.67 3.38 -1.21 -2.79 115.31 116.36 1gti h LEU 133 Ca 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gti h LEU 133 Cb -0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1gti h LEU 133 CO -0.05 0.42 0.35 0.77 0.09 0.00 0.00 178.44 180.02 1gti h SER 134 N 0.36 0.64 0.89 -0.43 4.64 -1.35 0.52 113.55 118.82 1gti h SER 134 Ca 0.11 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1gti h SER 134 Cb 0.12 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1gti h SER 134 CO -0.01 0.48 0.00 1.56 -0.87 0.00 0.00 176.83 177.99 1gti h GLN 135 N 0.75 0.00 -3.47 4.77 4.20 -1.21 -2.96 115.11 117.19 1gti h GLN 135 Ca 0.20 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.24 1gti h GLN 135 Cb -0.06 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 27.34 1gti h GLN 135 CO -0.04 0.00 -0.49 1.21 -0.67 0.00 0.00 178.83 178.84 1gti s ASN 136 N -4.62 4.79 -1.47 1.46 2.47 -0.50 -4.77 114.94 112.29 1gti s ASN 136 Ca 0.04 -2.96 -0.06 0.00 0.42 0.00 0.00 52.86 50.30 1gti s ASN 136 Cb 0.09 -1.75 0.03 0.00 -1.45 0.00 0.00 41.25 38.17 1gti s ASN 136 CO 0.45 -0.30 0.60 0.00 -3.72 0.00 0.00 177.10 174.13 1gti n GLN 137 N 3.27 -4.58 -2.41 0.43 6.02 -1.26 -2.14 117.38 116.72 1gti n GLN 137 Ca 0.07 0.78 -0.20 0.00 -0.01 0.00 0.00 57.00 57.63 1gti n GLN 137 Cb 0.35 -5.60 -0.01 0.00 1.02 0.00 0.00 30.24 26.00 1gti n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gti n GLY 138 N -1.44 -0.45 2.32 1.08 0.00 -1.12 -2.28 105.19 103.31 1gti n GLY 138 Ca -0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1gti n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gti n GLY 139 N -1.04 0.22 0.11 -0.02 0.00 0.17 -4.73 105.19 99.90 1gti n GLY 139 Ca -0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1gti n GLY 139 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1gti h LYS 140 N 0.00 0.22 0.00 1.61 3.64 -1.59 -3.46 116.57 116.99 1gti h LYS 140 Ca -0.34 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1gti h LYS 140 Cb 1.19 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1gti h LYS 140 CO 0.43 1.08 0.00 0.00 -2.27 0.00 0.00 179.45 178.68 1gti n ALA 141 N -2.64 0.00 -2.53 5.00 0.00 -1.26 -5.11 120.51 113.97 1gti n ALA 141 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 1gti n ALA 141 Cb 1.04 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.40 1gti n ALA 141 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1gti s PHE 142 N 1.39 1.84 0.34 0.00 0.08 -1.26 -5.05 117.98 115.33 1gti s PHE 142 Ca 0.00 -1.17 0.05 0.00 0.12 0.00 0.00 56.93 55.94 1gti s PHE 142 Cb 0.00 -1.25 0.71 0.00 -0.57 0.00 0.00 43.02 41.91 1gti s PHE 142 CO 0.00 -0.16 1.92 0.97 -0.10 0.00 0.00 175.22 177.86 1gti h ILE 143 N 1.80 0.98 -3.03 0.64 6.09 -1.96 -3.40 117.51 118.63 1gti h ILE 143 Ca -0.38 -0.28 -0.26 0.00 -1.37 0.00 0.00 64.86 62.58 1gti h ILE 143 Cb 1.27 0.10 -0.34 0.00 0.47 0.00 0.00 36.82 38.33 1gti h ILE 143 CO 0.62 0.15 -0.59 -0.69 -3.07 0.00 0.00 178.15 174.57 1gti s VAL 144 N -5.73 -0.28 0.00 2.19 1.01 -1.26 -4.76 120.40 111.57 1gti s VAL 144 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1gti s VAL 144 Cb 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1gti s VAL 144 CO 0.78 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.62 1gti n GLY 145 N 5.16 -1.02 0.04 4.51 0.00 -1.26 -4.60 105.19 108.01 1gti n GLY 145 Ca -0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 1gti n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gti n ASP 146 N 0.31 2.65 -4.84 1.61 9.92 -1.26 -4.10 116.55 120.84 1gti n ASP 146 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1gti n ASP 146 Cb 0.00 0.91 -0.04 0.00 -0.64 0.00 0.00 41.12 41.34 1gti n ASP 146 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1gti s GLN 147 N -2.34 3.02 0.28 -1.24 -0.21 -1.26 -4.71 119.66 113.18 1gti s GLN 147 Ca -0.04 -0.93 -0.29 0.00 0.02 0.00 0.00 55.36 54.11 1gti s GLN 147 Cb 0.04 -2.66 -0.10 0.00 1.00 0.00 0.00 33.01 31.30 1gti s GLN 147 CO 0.40 0.44 1.18 -1.50 -2.12 0.00 0.00 175.29 173.69 1gti s ILE 148 N -1.97 3.26 0.45 1.08 2.07 -1.26 -4.87 121.20 119.95 1gti s ILE 148 Ca 0.32 1.22 0.03 0.00 -1.41 0.00 0.00 60.65 60.81 1gti s ILE 148 Cb -0.09 -3.78 -0.02 0.00 0.13 0.00 0.00 42.46 38.70 1gti s ILE 148 CO 0.25 0.27 0.06 -0.94 -1.91 0.00 0.00 174.94 172.68 1gti s SER 149 N -0.56 3.41 0.44 4.50 1.04 -1.26 -4.79 113.70 116.49 1gti s SER 149 Ca 0.48 -1.63 0.16 0.00 0.48 0.00 0.00 55.95 55.43 1gti s SER 149 Cb -0.35 0.43 1.00 0.00 0.10 0.00 0.00 66.02 67.21 1gti s SER 149 CO 0.44 -0.85 1.97 2.19 0.98 0.00 0.00 173.24 177.96 1gti h PHE 150 N 1.61 0.00 -0.27 5.02 -0.00 -1.85 -2.37 116.94 119.08 1gti h PHE 150 Ca -0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.52 1gti h PHE 150 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.22 1gti h PHE 150 CO 1.42 0.21 -0.05 0.00 -0.00 0.00 0.00 178.31 179.90 1gti h ALA 151 N 1.79 1.42 -0.52 12.09 0.00 -1.87 -2.60 119.26 129.56 1gti h ALA 151 Ca -0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1gti h ALA 151 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1gti h ALA 151 CO 0.03 0.41 -0.09 -0.44 0.00 0.00 0.00 179.25 179.15 1gti h ASP 152 N 0.40 0.99 -0.50 0.00 3.32 -1.83 -1.58 116.42 117.22 1gti h ASP 152 Ca 0.09 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 1gti h ASP 152 Cb 0.35 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1gti h ASP 152 CO 0.01 1.10 -0.10 1.88 -1.72 0.00 0.00 179.24 180.42 1gti h TYR 153 N 0.86 1.09 -0.26 4.55 0.05 -1.50 -0.69 116.97 121.06 1gti h TYR 153 Ca 0.14 -0.21 -0.17 0.00 0.05 0.00 0.00 58.73 58.53 1gti h TYR 153 Cb 0.65 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 1gti h TYR 153 CO 0.05 1.01 -0.51 -0.97 -1.05 0.00 0.00 178.16 176.68 1gti h ASN 154 N 0.88 0.83 -0.40 3.88 -0.00 -1.41 -2.77 115.58 116.57 1gti h ASN 154 Ca 0.14 -0.43 -0.13 0.00 -0.00 0.00 0.00 56.30 55.89 1gti h ASN 154 Cb 0.64 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 38.72 1gti h ASN 154 CO 0.04 1.19 -0.25 0.25 -0.00 0.00 0.00 177.43 178.66 1gti h LEU 155 N 0.58 0.92 -0.59 0.34 5.85 -1.16 -2.41 115.31 118.84 1gti h LEU 155 Ca 0.02 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1gti h LEU 155 Cb 1.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1gti h LEU 155 CO 0.11 1.14 0.37 0.25 -0.34 0.00 0.00 178.44 179.97 1gti h LEU 156 N 0.70 0.60 -0.65 2.25 5.85 -1.10 -1.96 115.31 121.01 1gti h LEU 156 Ca 0.08 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1gti h LEU 156 Cb 0.82 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1gti h LEU 156 CO 0.07 0.42 0.18 -0.78 -0.34 0.00 0.00 178.44 177.99 1gti h ASP 157 N 0.73 0.97 -0.77 1.25 3.58 -1.42 -1.02 116.42 119.73 1gti h ASP 157 Ca 0.23 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1gti h ASP 157 Cb 0.00 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.76 1gti h ASP 157 CO -0.09 0.94 0.48 0.25 -2.88 0.00 0.00 179.24 177.94 1gti h LEU 158 N 0.95 0.91 -0.38 2.28 5.85 -1.02 -2.18 115.31 121.73 1gti h LEU 158 Ca 0.21 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 1gti h LEU 158 Cb 0.34 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1gti h LEU 158 CO -0.00 0.70 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.04 1gti h LEU 159 N 1.05 0.64 -0.68 2.25 3.38 -1.15 -2.89 115.31 117.91 1gti h LEU 159 Ca 0.28 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1gti h LEU 159 Cb -0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1gti h LEU 159 CO -0.05 1.14 0.24 -0.07 0.09 0.00 0.00 178.44 179.79 1gti h LEU 160 N 0.39 0.96 -0.72 1.67 3.38 -0.89 -2.35 115.31 117.76 1gti h LEU 160 Ca -0.02 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1gti h LEU 160 Cb 1.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1gti h LEU 160 CO 0.13 0.90 -0.32 0.16 0.09 0.00 0.00 178.44 179.39 1gti h ILE 161 N 0.98 0.67 0.00 1.22 3.07 -1.43 -2.96 117.51 119.06 1gti h ILE 161 Ca 0.22 -1.49 0.00 0.00 1.55 0.00 0.00 64.86 65.14 1gti h ILE 161 Cb 0.25 1.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1gti h ILE 161 CO -0.01 0.31 -0.04 0.45 -1.05 0.00 0.00 178.15 177.81 1gti h HIS 162 N 0.00 0.00 0.00 0.16 3.86 -1.26 -2.67 115.15 115.24 1gti h HIS 162 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1gti h HIS 162 Cb 0.96 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 1gti h HIS 162 CO 0.00 0.00 -0.53 1.96 0.86 0.00 0.00 177.93 180.22 1gti h GLN 163 N 0.00 0.00 0.18 2.45 4.20 -1.25 -0.45 115.11 120.24 1gti h GLN 163 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1gti h GLN 163 Cb 0.78 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.58 1gti h GLN 163 CO 0.00 0.48 -1.43 0.28 -0.67 0.00 0.00 178.83 177.50 1gti h VAL 164 N 0.00 1.31 0.14 -0.54 2.07 -1.57 -2.50 116.25 115.16 1gti h VAL 164 Ca -0.01 -2.84 -0.01 0.00 0.82 0.00 0.00 66.70 64.66 1gti h VAL 164 Cb 1.39 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 1gti h VAL 164 CO 0.06 0.85 -0.07 0.25 0.02 0.00 0.00 177.57 178.68 1gti h LEU 165 N 0.10 -0.16 -7.02 2.57 7.12 -1.48 -3.40 115.31 113.04 1gti h LEU 165 Ca -0.22 -0.33 -0.61 0.00 0.13 0.00 0.00 57.88 56.85 1gti h LEU 165 Cb 2.07 0.04 -0.40 0.00 -0.53 0.00 0.00 40.66 41.84 1gti h LEU 165 CO 0.22 0.28 -0.73 0.00 -0.13 0.00 0.00 178.44 178.08 1gti s ALA 166 N -4.41 2.27 0.16 1.25 0.00 -0.18 -5.04 121.76 115.81 1gti s ALA 166 Ca -0.14 -2.67 0.01 0.00 0.00 0.00 0.00 51.96 49.15 1gti s ALA 166 Cb 0.02 -1.91 0.39 0.00 0.00 0.00 0.00 23.12 21.61 1gti s ALA 166 CO 0.58 -2.06 0.82 -2.30 0.00 0.00 0.00 175.76 172.80 1gti n PRO 167 N 3.49 -0.04 -1.59 0.00 -0.02 -0.94 -1.52 135.00 134.37 1gti n PRO 167 Ca 0.08 0.78 -0.17 0.00 -2.02 0.00 0.00 63.50 62.17 1gti n PRO 167 Cb 0.34 -1.24 0.08 0.00 -0.02 0.00 0.00 33.50 32.66 1gti n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gti n GLY 168 N -1.27 6.00 0.07 -1.23 0.00 -1.26 -4.77 105.19 102.73 1gti n GLY 168 Ca 0.12 -2.26 0.10 0.00 0.00 0.00 0.00 46.02 43.99 1gti n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gti n LEU 170 N -1.92 1.98 -0.31 0.00 4.77 -1.26 -4.58 117.00 115.68 1gti n LEU 170 Ca 0.03 -0.86 0.07 0.00 -0.03 0.00 0.00 56.01 55.22 1gti n LEU 170 Cb 0.22 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.59 1gti n LEU 170 CO 0.18 0.36 1.24 0.44 -1.33 0.00 0.00 177.39 178.28 1gti h ASP 171 N 2.48 0.85 -0.09 -1.43 3.32 -1.90 0.10 116.42 119.75 1gti h ASP 171 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1gti h ASP 171 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1gti h ASP 171 CO 0.00 0.49 0.00 0.59 -1.72 0.00 0.00 179.24 178.60 1gti n ASN 172 N -4.55 0.62 -3.70 6.45 4.13 -1.26 -4.46 115.26 112.49 1gti n ASN 172 Ca 0.16 -1.73 -0.29 0.00 1.68 0.00 0.00 54.58 54.40 1gti n ASN 172 Cb 0.31 -0.06 -0.13 0.00 -1.54 0.00 0.00 39.78 38.37 1gti n ASN 172 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1gti s PHE 173 N -1.89 1.96 0.12 3.10 0.08 0.02 -5.01 117.98 116.37 1gti s PHE 173 Ca 0.20 -2.42 -0.25 0.00 0.12 0.00 0.00 56.93 54.58 1gti s PHE 173 Cb 0.10 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 1gti s PHE 173 CO 0.16 -0.78 1.65 -1.35 -0.10 0.00 0.00 175.22 174.80 1gti h PRO 174 N 6.66 -0.30 -0.40 0.24 0.11 -1.78 -2.00 132.00 134.53 1gti h PRO 174 Ca 0.01 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.15 1gti h PRO 174 Cb 0.92 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1gti h PRO 174 CO 0.48 -0.20 0.24 -0.07 -0.21 0.00 0.00 178.00 178.24 1gti h LEU 175 N -0.32 0.39 -1.29 2.35 3.38 -1.94 -1.84 115.31 116.06 1gti h LEU 175 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1gti h LEU 175 Cb 0.40 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1gti h LEU 175 CO -0.19 0.28 -0.30 -0.07 0.09 0.00 0.00 178.44 178.25 1gti h LEU 176 N 0.49 0.09 -0.35 1.67 3.38 -1.90 0.59 115.31 119.27 1gti h LEU 176 Ca 0.16 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1gti h LEU 176 Cb -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gti h LEU 176 CO -0.06 0.39 -0.43 0.28 0.09 0.00 0.00 178.44 178.70 1gti h SER 177 N 0.08 0.99 0.31 -0.43 0.02 -0.92 -2.37 113.55 111.23 1gti h SER 177 Ca 0.01 -0.49 -0.19 0.00 -0.84 0.00 0.00 61.79 60.28 1gti h SER 177 Cb 0.58 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1gti h SER 177 CO 0.04 1.28 -0.79 0.00 -1.14 0.00 0.00 176.83 176.23 1gti h ALA 178 N 0.74 0.54 -0.69 3.77 0.00 -1.08 -2.72 119.26 119.82 1gti h ALA 178 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1gti h ALA 178 Cb 1.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1gti h ALA 178 CO 0.10 0.79 0.41 -0.92 0.00 0.00 0.00 179.25 179.63 1gti h TYR 179 N 0.25 0.93 -0.36 0.00 3.20 -0.82 0.11 116.97 120.27 1gti h TYR 179 Ca -0.04 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.66 1gti h TYR 179 Cb 1.38 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1gti h TYR 179 CO 0.05 0.64 -0.39 0.28 -1.64 0.00 0.00 178.16 177.09 1gti h VAL 180 N 0.95 1.28 -0.49 1.81 2.07 -1.43 -2.14 116.25 118.30 1gti h VAL 180 Ca 0.25 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 1gti h VAL 180 Cb -0.01 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1gti h VAL 180 CO -0.04 0.52 -0.02 0.00 0.02 0.00 0.00 177.57 178.04 1gti h ALA 181 N 0.75 1.03 0.37 1.67 0.00 -1.15 -1.92 119.26 120.01 1gti h ALA 181 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1gti h ALA 181 Cb 0.99 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1gti h ALA 181 CO 0.10 0.60 -0.18 -0.09 0.00 0.00 0.00 179.25 179.67 1gti h ARG 182 N 0.77 -0.48 0.00 0.00 2.43 -0.72 -2.42 114.38 113.96 1gti h ARG 182 Ca 0.14 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1gti h ARG 182 Cb 0.50 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1gti h ARG 182 CO 0.03 -0.16 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.16 1gti h LEU 183 N -0.91 0.00 -0.14 3.80 4.07 -1.41 -1.16 115.31 119.55 1gti h LEU 183 Ca -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1gti h LEU 183 Cb 0.54 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1gti h LEU 183 CO 0.08 0.10 -0.27 0.28 -1.08 0.00 0.00 178.44 177.55 1gti h SER 184 N 0.00 0.00 1.19 -0.43 0.02 -1.35 -3.19 113.55 109.79 1gti h SER 184 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1gti h SER 184 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gti h SER 184 CO 0.01 0.27 -0.12 0.00 -1.14 0.00 0.00 176.83 175.85 1gti h ALA 185 N 1.73 0.99 -2.20 3.77 0.00 -0.68 -3.28 119.26 119.58 1gti h ALA 185 Ca -0.00 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.22 1gti h ALA 185 Cb 1.15 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.95 1gti h ALA 185 CO 0.03 0.15 1.12 0.54 0.00 0.00 0.00 179.25 181.09 1gti n ARG 186 N -3.21 2.46 -0.32 0.00 1.74 -1.20 -4.80 116.66 111.33 1gti n ARG 186 Ca 0.01 0.90 0.09 0.00 -0.77 0.00 0.00 57.85 58.08 1gti n ARG 186 Cb 0.42 -2.78 0.20 0.00 -1.02 0.00 0.00 32.46 29.28 1gti n ARG 186 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1gti h PRO 187 N 9.29 0.02 -0.20 5.56 0.13 -1.92 0.71 132.00 145.59 1gti h PRO 187 Ca -0.48 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1gti h PRO 187 Cb 1.25 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1gti h PRO 187 CO 0.94 0.01 0.09 0.87 -0.23 0.00 0.00 178.00 179.68 1gti h LYS 188 N 0.02 0.30 -0.15 0.86 1.79 -1.90 -2.02 116.57 115.47 1gti h LYS 188 Ca 0.50 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 1gti h LYS 188 Cb 0.91 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1gti h LYS 188 CO -0.89 0.34 -0.02 0.82 -1.08 0.00 0.00 179.45 178.62 1gti h ILE 189 N 0.18 1.27 -0.99 1.86 2.04 -1.66 -2.91 117.51 117.31 1gti h ILE 189 Ca 0.07 -0.91 0.14 0.00 1.00 0.00 0.00 64.86 65.16 1gti h ILE 189 Cb 0.15 1.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 1gti h ILE 189 CO -0.01 0.27 0.62 0.50 0.00 0.00 0.00 178.15 179.52 1gti h LYS 190 N -0.01 0.89 -0.44 2.37 3.64 -0.86 0.15 116.57 122.32 1gti h LYS 190 Ca 0.04 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1gti h LYS 190 Cb 0.41 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1gti h LYS 190 CO 0.01 0.59 -0.01 0.00 -2.27 0.00 0.00 179.45 177.78 1gti h ALA 191 N 1.56 1.17 -0.16 5.00 0.00 -1.29 -2.53 119.26 123.01 1gti h ALA 191 Ca 0.51 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1gti h ALA 191 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1gti h ALA 191 CO -0.30 0.54 -0.32 0.35 0.00 0.00 0.00 179.25 179.53 1gti h PHE 192 N 0.67 0.63 0.00 0.00 3.57 -0.62 -2.86 116.94 118.34 1gti h PHE 192 Ca 0.13 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1gti h PHE 192 Cb 0.43 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1gti h PHE 192 CO 0.02 0.95 0.00 -0.07 -2.23 0.00 0.00 178.31 176.98 1gti h LEU 193 N 0.14 0.00 -3.25 0.59 3.38 -0.79 -1.94 115.31 113.43 1gti h LEU 193 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gti h LEU 193 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1gti h LEU 193 CO 0.07 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 1gti n SER 194 N -2.98 3.93 -4.85 -0.43 7.64 -0.96 -4.74 113.62 111.23 1gti n SER 194 Ca -0.01 -2.95 -0.36 0.00 1.01 0.00 0.00 58.87 56.56 1gti n SER 194 Cb 0.19 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 1gti n SER 194 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1gti s SER 195 N -1.81 6.77 0.22 6.43 1.04 -0.73 -4.98 113.70 120.65 1gti s SER 195 Ca 0.42 0.95 -0.08 0.00 0.48 0.00 0.00 55.95 57.72 1gti s SER 195 Cb 0.33 -2.24 0.27 0.00 0.10 0.00 0.00 66.02 64.48 1gti s SER 195 CO 0.10 0.20 1.83 1.55 0.98 0.00 0.00 173.24 177.90 1gti h PRO 196 N 3.99 0.81 0.00 4.02 0.13 -1.92 -0.68 132.00 138.36 1gti h PRO 196 Ca -0.50 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1gti h PRO 196 Cb 1.20 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1gti h PRO 196 CO 0.65 0.54 -0.00 1.05 -0.23 0.00 0.00 178.00 180.00 1gti h GLU 197 N 0.83 0.00 0.01 0.86 4.11 -1.94 -0.41 114.58 118.04 1gti h GLU 197 Ca 0.33 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.48 1gti h GLU 197 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1gti h GLU 197 CO -0.17 0.00 -1.51 1.58 0.07 0.00 0.00 179.01 178.99 1gti n HIS 198 N -3.43 0.86 -0.05 2.06 -0.00 -0.58 -4.05 115.22 110.02 1gti n HIS 198 Ca -0.03 0.36 -0.10 0.00 0.46 0.00 0.00 57.72 58.41 1gti n HIS 198 Cb 0.09 -1.09 -0.04 0.00 -0.12 0.00 0.00 29.99 28.83 1gti n HIS 198 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1gti h VAL 199 N -0.95 1.11 0.00 3.57 2.07 -0.92 -2.56 116.25 118.57 1gti h VAL 199 Ca -0.41 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1gti h VAL 199 Cb 1.39 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1gti h VAL 199 CO -0.23 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.05 1gti n ASN 200 N -4.89 0.33 -4.67 0.57 3.02 -0.18 -4.63 115.26 104.81 1gti n ASN 200 Ca -0.04 0.60 -0.39 0.00 -0.03 0.00 0.00 54.58 54.72 1gti n ASN 200 Cb 0.07 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 1gti n ASN 200 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1gti s ARG 201 N -3.19 4.21 0.55 3.52 3.52 -0.97 -5.07 118.95 121.52 1gti s ARG 201 Ca 0.04 0.41 -0.19 0.00 -0.13 0.00 0.00 55.73 55.86 1gti s ARG 201 Cb 0.08 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 1gti s ARG 201 CO 0.27 -0.10 1.09 -1.25 -0.81 0.00 0.00 175.30 174.50 1gti s PRO 202 N 1.48 3.42 0.04 5.12 0.04 -1.26 -4.78 135.00 139.06 1gti s PRO 202 Ca 0.24 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 1gti s PRO 202 Cb -0.15 -2.03 -0.17 0.00 0.04 0.00 0.00 34.50 32.18 1gti s PRO 202 CO 0.10 -0.76 1.42 0.82 0.04 0.00 0.00 177.00 178.61 1gti h ILE 203 N 1.06 0.51 -1.31 0.56 2.04 -1.95 -0.97 117.51 117.46 1gti h ILE 203 Ca -0.49 -0.29 -0.57 0.00 1.00 0.00 0.00 64.86 64.51 1gti h ILE 203 Cb 1.24 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 1gti h ILE 203 CO 0.57 0.05 -0.45 0.20 0.00 0.00 0.00 178.15 178.52 1gti s ASN 204 N -4.76 4.49 -0.36 1.72 0.02 -1.26 -1.29 114.94 113.49 1gti s ASN 204 Ca -0.15 -1.13 0.04 0.00 -1.02 0.00 0.00 52.86 50.60 1gti s ASN 204 Cb 0.03 -0.25 0.55 0.00 0.02 0.00 0.00 41.25 41.60 1gti s ASN 204 CO 0.57 -0.68 1.74 0.61 0.02 0.00 0.00 177.10 179.36 1gti n GLY 205 N -1.36 3.96 0.32 0.66 0.00 -1.26 -4.20 105.19 103.31 1gti n GLY 205 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1gti n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gti n ASN 206 N -0.77 0.00 0.00 1.61 6.94 -1.26 -5.01 115.26 116.77 1gti n ASN 206 Ca 0.47 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.60 1gti n ASN 206 Cb 1.44 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.77 1gti n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gti n GLY 207 N 0.00 2.41 3.74 4.83 0.00 -1.26 -4.99 105.19 109.93 1gti n GLY 207 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gti n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gti s LYS 208 N -0.01 4.29 0.00 1.61 1.02 -1.26 -5.04 119.74 120.35 1gti s LYS 208 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1gti s LYS 208 Cb 0.00 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 1gti s LYS 208 CO 0.00 0.26 0.00 0.00 -0.92 0.00 0.00 175.35 174.69