#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 2.87 -0.01 0.52 0.04 -1.26 -3.69 135.00 133.48 1gti s PRO 2 Ca 0.00 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.00 1gti s PRO 2 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1gti s PRO 2 CO 0.00 -1.16 0.32 0.71 0.04 0.00 0.00 177.00 176.91 1gti s TYR 3 N -2.87 3.64 -0.09 0.56 2.02 -1.26 -2.23 117.35 117.11 1gti s TYR 3 Ca 0.60 0.76 -0.05 0.00 -0.37 0.00 0.00 57.07 58.01 1gti s TYR 3 Cb -0.15 -2.12 0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1gti s TYR 3 CO 0.51 0.63 0.22 0.99 -1.57 0.00 0.00 175.55 176.33 1gti s THR 4 N -1.18 -0.04 -0.18 -0.71 2.01 -0.71 -1.04 115.64 113.79 1gti s THR 4 Ca 0.25 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.38 1gti s THR 4 Cb -0.14 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1gti s THR 4 CO 0.13 0.05 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.33 1gti s ILE 5 N 1.05 2.50 -0.28 1.82 1.01 -0.63 -1.40 121.20 125.27 1gti s ILE 5 Ca -0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1gti s ILE 5 Cb -0.09 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1gti s ILE 5 CO -0.07 0.51 0.04 -0.69 0.00 0.00 0.00 174.94 174.73 1gti s VAL 6 N 1.14 3.70 0.33 2.92 1.01 -0.16 -0.93 120.40 128.40 1gti s VAL 6 Ca 0.01 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 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 0.14 0.81 -0.47 0.00 0.00 0.00 175.10 175.52 1gti s TYR 7 N 1.46 0.03 0.78 5.22 5.04 -1.12 -1.37 117.35 127.40 1gti s TYR 7 Ca 0.02 -0.60 -0.11 0.00 -2.44 0.00 0.00 57.07 53.94 1gti s TYR 7 Cb -0.17 0.78 0.06 0.00 0.35 0.00 0.00 41.96 42.99 1gti s TYR 7 CO 0.01 -1.38 1.08 -0.06 -1.34 0.00 0.00 175.55 173.86 1gti s PHE 8 N -2.73 2.73 0.00 4.97 0.08 -1.26 -1.73 117.98 120.04 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 -0.05 -3.04 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 1gti s PHE 8 CO 0.09 -1.75 1.33 -0.35 -0.10 0.00 0.00 175.22 174.44 1gti n PRO 9 N -3.47 0.67 -4.28 0.24 -0.04 -1.26 -4.78 135.00 122.07 1gti n PRO 9 Ca 0.08 -0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1gti n PRO 9 Cb 0.54 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.84 0.89 0.00 0.52 -7.23 -1.26 -4.42 120.40 109.74 1gti s VAL 10 Ca 0.03 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1gti s VAL 10 Cb 0.02 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.75 1gti s VAL 10 CO 0.00 -0.42 0.42 0.54 -0.31 0.00 0.00 175.10 175.33 1gti n ARG 11 N -0.32 0.00 0.00 4.82 1.74 -0.39 -4.83 116.66 117.67 1gti n ARG 11 Ca -0.06 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1gti n ARG 11 Cb 0.63 -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 0.69 2.49 1.40 -0.13 0.00 -0.43 -1.78 105.19 107.42 1gti n GLY 12 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 14.00 1.61 0.00 1.61 1.74 -1.26 -3.95 116.66 130.41 1gti n ARG 13 Ca 0.00 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.95 1gti n ARG 13 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.00 0.00 4.57 -1.67 -2.28 114.58 115.20 1gti h GLU 15 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1gti h GLU 15 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1gti h GLU 15 CO 0.00 0.30 -0.00 0.00 -1.18 0.00 0.00 179.01 178.13 1gti h ALA 16 N 1.70 -0.00 0.00 2.92 0.00 -1.86 -2.24 119.26 119.77 1gti h ALA 16 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1gti h ALA 16 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1gti h ALA 16 CO 0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 179.25 178.79 1gti h MET 17 N -0.54 0.00 0.00 0.00 -0.00 -1.89 -1.88 114.93 110.63 1gti h MET 17 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 1gti h MET 17 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.12 1gti h MET 17 CO 0.00 0.26 -0.51 0.00 -0.00 0.00 0.00 176.91 176.66 1gti h ARG 18 N 0.00 0.00 0.10 -0.10 3.08 -1.35 -2.17 114.38 113.95 1gti h ARG 18 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 1gti h ARG 18 Cb 0.60 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.67 1gti h ARG 18 CO 0.03 0.51 -1.20 0.52 -1.07 0.00 0.00 179.97 178.76 1gti h MET 19 N 0.00 0.54 0.21 0.04 2.86 -0.77 -2.83 114.93 114.98 1gti h MET 19 Ca -0.01 -0.72 -0.01 0.00 -2.06 0.00 0.00 59.70 56.91 1gti h MET 19 Cb 1.04 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1gti h MET 19 CO 0.07 1.31 -0.10 1.25 1.06 0.00 0.00 176.91 180.50 1gti h LEU 20 N 0.24 -0.23 -0.90 1.22 6.46 -1.23 0.06 115.31 120.93 1gti h LEU 20 Ca -0.16 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1gti h LEU 20 Cb 1.87 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.82 1gti h LEU 20 CO 0.22 -0.11 0.46 -0.07 -0.62 0.00 0.00 178.44 178.32 1gti h LEU 21 N -0.34 1.12 -0.94 2.25 3.38 -1.51 -1.94 115.31 117.33 1gti h LEU 21 Ca -0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1gti h LEU 21 Cb 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1gti h LEU 21 CO 0.05 0.92 -0.29 0.00 0.09 0.00 0.00 178.44 179.20 1gti h ALA 22 N 1.26 1.10 0.00 1.53 0.00 -1.28 0.41 119.26 122.28 1gti h ALA 22 Ca 0.31 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1gti h ALA 22 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1gti h ALA 22 CO -0.04 0.56 -0.67 0.22 0.00 0.00 0.00 179.25 179.32 1gti h ASP 23 N 0.37 0.00 -0.57 0.00 3.58 -0.65 -3.14 116.42 116.01 1gti h ASP 23 Ca 0.05 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.29 1gti h ASP 23 Cb 0.71 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.63 1gti h ASP 23 CO 0.05 0.67 0.27 0.00 -2.88 0.00 0.00 179.24 177.35 1gti n GLN 24 N -3.51 2.59 -1.02 0.28 1.13 -0.76 -4.89 117.38 111.21 1gti n GLN 24 Ca -0.00 -2.11 -0.03 0.00 -1.94 0.00 0.00 57.00 52.92 1gti n GLN 24 Cb 0.71 -1.90 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 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 -0.21 0.32 3.89 1.08 0.00 -1.19 -4.95 105.19 104.13 1gti n GLY 25 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.13 3.20 0.00 1.61 -1.52 0.12 -5.02 119.66 115.92 1gti s GLN 26 Ca 0.00 0.47 0.03 0.00 -1.95 0.00 0.00 55.36 53.90 1gti s GLN 26 Cb 0.00 -2.11 -0.01 0.00 -0.22 0.00 0.00 33.01 30.67 1gti s GLN 26 CO 0.00 -0.74 -0.09 -1.54 -0.25 0.00 0.00 175.29 172.67 1gti s SER 27 N -4.26 1.03 0.30 5.90 1.04 -1.26 -4.33 113.70 112.11 1gti s SER 27 Ca 0.55 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.80 1gti s SER 27 Cb -0.11 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1gti s SER 27 CO 0.51 0.07 0.08 -1.66 0.98 0.00 0.00 173.24 173.22 1gti s TRP 28 N -0.35 1.78 -0.22 5.02 -2.14 -1.26 -4.34 118.94 117.42 1gti s TRP 28 Ca 0.02 -1.07 -0.05 0.00 2.66 0.00 0.00 56.10 57.66 1gti s TRP 28 Cb -0.04 -1.11 -0.02 0.00 -3.10 0.00 0.00 33.47 29.19 1gti s TRP 28 CO -0.00 -0.15 0.01 0.21 -2.66 0.00 0.00 176.95 174.36 1gti s LYS 29 N -3.95 3.55 -0.19 3.25 2.20 -0.20 -4.99 119.74 119.42 1gti s LYS 29 Ca 0.37 -0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 55.23 1gti s LYS 29 Cb 0.08 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1gti s LYS 29 CO 0.15 -0.13 0.64 -2.00 -0.36 0.00 0.00 175.35 173.65 1gti s GLU 30 N 1.37 4.23 -0.33 4.03 2.56 -1.26 -1.61 118.70 127.69 1gti s GLU 30 Ca 0.05 0.64 0.03 0.00 0.00 0.00 0.00 54.97 55.69 1gti s GLU 30 Cb -0.15 -3.57 0.09 0.00 2.00 0.00 0.00 34.13 32.51 1gti s GLU 30 CO 0.01 -0.23 0.03 -2.00 -0.56 0.00 0.00 175.26 172.52 1gti s GLU 31 N 1.86 1.50 0.25 4.30 2.12 -0.11 -4.97 118.70 123.65 1gti s GLU 31 Ca 0.29 -1.73 -0.29 0.00 0.36 0.00 0.00 54.97 53.60 1gti s GLU 31 Cb -0.16 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.08 1gti s GLU 31 CO 0.11 -0.90 0.95 0.08 -0.54 0.00 0.00 175.26 174.96 1gti s VAL 32 N 0.99 4.05 -0.23 3.70 1.01 -1.26 -2.78 120.40 125.89 1gti s VAL 32 Ca 0.08 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.07 1gti s VAL 32 Cb -0.19 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.00 1gti s VAL 32 CO -0.09 0.44 0.01 -0.69 0.00 0.00 0.00 175.10 174.77 1gti s VAL 33 N -1.24 1.00 0.73 2.92 1.01 -0.71 -4.94 120.40 119.17 1gti s VAL 33 Ca 0.43 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1gti s VAL 33 Cb -0.25 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1gti s VAL 33 CO 0.31 -0.24 1.08 0.42 0.00 0.00 0.00 175.10 176.68 1gti s THR 34 N 1.62 3.63 0.45 3.92 -4.23 -1.26 -4.13 115.64 115.64 1gti s THR 34 Ca -0.01 0.55 0.14 0.00 -1.18 0.00 0.00 61.69 61.18 1gti s THR 34 Cb -0.18 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 70.73 1gti s THR 34 CO -0.09 -0.67 2.03 0.40 -0.54 0.00 0.00 174.62 175.74 1gti h ILE 35 N -0.85 1.10 -0.45 2.99 2.04 -1.99 -1.14 117.51 119.21 1gti h ILE 35 Ca -0.44 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 1gti h ILE 35 Cb 1.22 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1gti h ILE 35 CO 0.54 0.14 -0.07 0.44 0.00 0.00 0.00 178.15 179.20 1gti h ASP 36 N 0.07 0.84 0.36 1.72 5.19 -1.92 -2.36 116.42 120.33 1gti h ASP 36 Ca 0.02 -0.34 -0.07 0.00 -0.62 0.00 0.00 57.03 56.01 1gti h ASP 36 Cb 0.22 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1gti h ASP 36 CO 0.01 0.99 -0.34 0.74 -3.12 0.00 0.00 179.24 177.52 1gti h THR 37 N 0.68 1.21 0.04 0.35 2.02 -1.66 -2.82 112.91 112.72 1gti h THR 37 Ca 0.12 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1gti h THR 37 Cb 0.60 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1gti h THR 37 CO 0.04 0.33 -0.02 -0.25 0.37 0.00 0.00 175.52 175.99 1gti h TRP 38 N 0.00 -0.04 -2.94 3.16 2.91 -0.74 -3.36 115.95 114.93 1gti h TRP 38 Ca -0.00 -0.00 -0.58 0.00 1.13 0.00 0.00 58.89 59.43 1gti h TRP 38 Cb 0.61 0.01 -0.10 0.00 -0.51 0.00 0.00 29.16 29.17 1gti h TRP 38 CO 0.00 0.02 0.79 1.41 -1.03 0.00 0.00 178.44 179.62 1gti s MET 39 N -5.99 3.32 0.00 2.65 1.75 -1.00 -4.73 119.30 115.30 1gti s MET 39 Ca -0.13 -0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1gti s MET 39 Cb 0.05 -4.09 0.00 0.00 2.84 0.00 0.00 34.83 33.63 1gti s MET 39 CO 0.66 -1.73 0.00 0.94 -0.65 0.00 0.00 175.02 174.24 1gti n GLN 40 N 8.19 0.00 0.00 4.11 0.00 -1.26 -4.88 117.38 123.53 1gti n GLN 40 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1gti n GLN 40 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.72 1gti n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gti n GLY 41 N 0.18 -1.41 0.31 1.69 0.00 -1.26 -4.97 105.19 99.74 1gti n GLY 41 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 1gti n GLY 41 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1gti h LEU 42 N 0.00 1.02 -7.56 0.99 -0.00 -2.01 -3.33 115.31 104.42 1gti h LEU 42 Ca 0.00 -0.20 -0.75 0.00 -0.00 0.00 0.00 57.88 56.93 1gti h LEU 42 Cb 0.00 -0.27 -0.19 0.00 -0.00 0.00 0.00 40.66 40.20 1gti h LEU 42 CO 0.00 0.95 1.27 0.18 -0.00 0.00 0.00 178.44 180.84 1gti n LEU 43 N -4.31 5.43 0.00 0.17 4.77 -1.26 -4.25 117.00 117.55 1gti n LEU 43 Ca 0.05 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.45 1gti n LEU 43 Cb 0.22 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 1gti n LEU 43 CO 0.41 0.90 0.00 1.17 -1.33 0.00 0.00 177.39 178.55 1gti n LYS 44 N 4.92 0.00 -1.35 3.23 4.81 -1.25 -4.82 118.16 123.70 1gti n LYS 44 Ca 0.35 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.36 1gti n LYS 44 Cb 0.41 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.42 1gti n LYS 44 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1gti n PRO 45 N -2.26 1.91 -3.18 1.64 -0.04 -1.26 -5.06 135.00 126.76 1gti n PRO 45 Ca 0.00 -2.09 -0.23 0.00 -0.04 0.00 0.00 63.50 61.14 1gti n PRO 45 Cb 0.00 -3.05 -0.05 0.00 -0.04 0.00 0.00 33.50 30.36 1gti n PRO 45 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1gti n THR 46 N 5.80 0.97 -0.02 0.52 -2.24 -1.26 -5.17 114.28 112.88 1gti n THR 46 Ca 0.50 -4.81 -0.02 0.00 -2.27 0.00 0.00 64.05 57.45 1gti n THR 46 Cb 0.40 -1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 1gti n THR 46 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1gti n LEU 48 N 0.55 0.68 -0.30 3.22 7.94 -1.26 -5.03 117.00 122.80 1gti n LEU 48 Ca 0.26 0.11 0.13 0.00 -1.11 0.00 0.00 56.01 55.40 1gti n LEU 48 Cb 0.51 -0.44 0.37 0.00 0.53 0.00 0.00 43.42 44.40 1gti n LEU 48 CO 0.27 -0.48 0.66 -1.22 -1.11 0.00 0.00 177.39 175.52 1gti n TYR 49 N -3.17 0.00 -0.60 1.96 4.01 -1.26 -4.94 117.16 113.16 1gti n TYR 49 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1gti n TYR 49 Cb 0.14 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 2.58 2.72 0.00 -1.26 -5.05 105.19 106.23 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 -2.44 0.81 -4.49 1.61 6.02 -1.26 -5.12 117.38 112.51 1gti n GLN 51 Ca 0.00 -2.64 -0.23 0.00 -0.01 0.00 0.00 57.00 54.12 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 2.21 0.92 1.08 1.43 -1.26 -4.82 118.68 118.24 1gti s LEU 52 Ca 0.10 -1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 51.64 1gti s LEU 52 Cb 0.00 -0.40 0.14 0.00 0.03 0.00 0.00 46.19 45.97 1gti s LEU 52 CO 0.07 -0.66 1.16 -2.16 0.23 0.00 0.00 176.35 174.99 1gti s PRO 53 N -3.85 1.07 -0.09 1.29 0.04 -1.26 -4.90 135.00 127.30 1gti s PRO 53 Ca 0.33 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.55 1gti s PRO 53 Cb 0.08 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1gti s PRO 53 CO 0.15 -2.22 -0.09 0.21 0.04 0.00 0.00 177.00 175.08 1gti s LYS 54 N -5.39 1.54 0.05 4.56 2.20 -0.47 -4.15 119.74 118.07 1gti s LYS 54 Ca 0.65 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.99 1gti s LYS 54 Cb -0.13 -1.44 -0.04 0.00 -1.51 0.00 0.00 37.83 34.72 1gti s LYS 54 CO 0.53 -0.12 -0.06 0.12 -0.36 0.00 0.00 175.35 175.46 1gti s PHE 55 N 1.17 2.87 -0.14 4.03 5.36 -0.44 -0.99 117.98 129.85 1gti s PHE 55 Ca -0.05 -0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1gti s PHE 55 Cb -0.14 -1.55 0.04 0.00 -0.34 0.00 0.00 43.02 41.03 1gti s PHE 55 CO -0.02 0.41 -0.02 -1.21 -1.46 0.00 0.00 175.22 172.92 1gti s GLU 56 N -1.83 1.03 -0.35 10.12 2.02 -0.50 -0.98 118.70 128.21 1gti s GLU 56 Ca 0.20 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 1gti s GLU 56 Cb -0.11 -1.68 0.09 0.00 0.10 0.00 0.00 34.13 32.52 1gti s GLU 56 CO 0.12 -0.42 0.09 0.34 0.02 0.00 0.00 175.26 175.40 1gti s ASP 57 N 1.79 4.99 1.96 -0.19 -1.08 -0.35 -1.74 116.67 122.06 1gti s ASP 57 Ca 0.02 -1.81 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 1gti s ASP 57 Cb -0.14 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 1gti s ASP 57 CO -0.07 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.82 1gti n GLY 58 N 4.51 4.03 2.43 2.66 0.00 -0.95 -1.24 105.19 116.63 1gti n GLY 58 Ca -0.05 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 9.30 6.13 -3.85 1.61 5.68 -1.26 -4.83 116.55 129.33 1gti n ASP 59 Ca 0.00 -3.77 -0.28 0.00 -0.50 0.00 0.00 54.79 50.24 1gti n ASP 59 Cb 0.00 -0.69 -0.16 0.00 -1.14 0.00 0.00 41.12 39.12 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 -3.75 1.52 -0.17 -2.12 2.96 -0.37 -5.13 118.68 111.62 1gti s LEU 60 Ca 0.54 -0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1gti s LEU 60 Cb 0.44 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 46.25 1gti s LEU 60 CO -0.14 -0.21 0.12 -0.89 -1.32 0.00 0.00 176.35 173.91 1gti s THR 61 N 1.69 5.37 0.10 3.68 2.01 -1.26 -1.21 115.64 126.02 1gti s THR 61 Ca 0.00 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1gti s THR 61 Cb -0.16 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 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 -0.13 2.44 0.39 4.42 1.43 -0.15 -5.00 118.68 122.08 1gti s LEU 62 Ca 0.10 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1gti s LEU 62 Cb -0.11 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 1gti s LEU 62 CO 0.00 -0.33 0.12 -0.31 0.23 0.00 0.00 176.35 176.06 1gti s TYR 63 N -2.85 1.80 0.03 0.29 2.02 -1.26 -1.32 117.35 116.06 1gti s TYR 63 Ca 0.08 -1.24 0.00 0.00 -0.37 0.00 0.00 57.07 55.54 1gti s TYR 63 Cb -0.00 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.39 1gti s TYR 63 CO -0.01 -0.26 0.00 1.04 -1.57 0.00 0.00 175.55 174.75 1gti n GLN 64 N -0.87 -2.82 -0.34 -0.62 1.13 -1.26 -4.38 117.38 108.23 1gti n GLN 64 Ca -0.05 2.27 0.10 0.00 -1.94 0.00 0.00 57.00 57.37 1gti n GLN 64 Cb 0.65 -2.67 0.27 0.00 0.11 0.00 0.00 30.24 28.60 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 2.28 0.73 0.49 1.08 4.64 -1.88 -1.92 113.55 118.97 1gti h SER 65 Ca 0.00 0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1gti h SER 65 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1gti h SER 65 CO 0.00 0.30 -0.69 0.78 -0.87 0.00 0.00 176.83 176.35 1gti h ASN 66 N 0.76 0.21 0.14 4.97 2.35 -1.93 -2.31 115.58 119.77 1gti h ASN 66 Ca 0.52 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1gti h ASN 66 Cb 0.73 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1gti h ASN 66 CO -0.35 0.83 -0.34 0.00 -1.65 0.00 0.00 177.43 175.92 1gti h ALA 67 N 1.16 1.16 -0.29 -0.83 0.00 -1.61 -2.05 119.26 116.81 1gti h ALA 67 Ca -0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1gti h ALA 67 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1gti h ALA 67 CO 0.10 0.55 -0.55 0.82 0.00 0.00 0.00 179.25 180.17 1gti h ILE 68 N 0.25 1.27 -0.46 0.00 2.04 -1.26 -2.21 117.51 117.14 1gti h ILE 68 Ca 0.03 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.13 1gti h ILE 68 Cb 0.73 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1gti h ILE 68 CO 0.06 0.57 0.19 -0.07 0.00 0.00 0.00 178.15 178.89 1gti h LEU 69 N 0.67 0.63 -1.34 1.44 3.38 -1.15 -2.15 115.31 116.79 1gti h LEU 69 Ca 0.01 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1gti h LEU 69 Cb 1.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1gti h LEU 69 CO 0.12 0.62 -0.32 0.03 0.09 0.00 0.00 178.44 178.98 1gti h ARG 70 N 0.59 0.00 0.03 1.13 3.08 -1.37 -0.14 114.38 117.71 1gti h ARG 70 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1gti h ARG 70 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1gti h ARG 70 CO -0.01 0.32 -0.02 1.25 -1.07 0.00 0.00 179.97 180.44 1gti h HIS 71 N 0.00 -0.04 0.00 3.04 2.76 -1.02 -2.06 115.15 117.83 1gti h HIS 71 Ca -0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1gti h HIS 71 Cb 0.62 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1gti h HIS 71 CO 0.00 0.33 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.76 1gti h LEU 72 N -0.42 0.00 -0.94 0.26 3.38 -1.19 -1.74 115.31 114.65 1gti h LEU 72 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1gti h LEU 72 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1gti h LEU 72 CO 0.01 0.13 -0.40 1.23 0.09 0.00 0.00 178.44 179.50 1gti h GLY 73 N 0.80 0.00 0.00 0.83 0.00 -0.67 -2.05 103.07 101.99 1gti h GLY 73 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1gti h GLY 73 CO 0.02 0.00 -1.14 3.21 0.00 0.00 0.00 176.54 178.63 1gti h ARG 74 N 0.00 0.00 -0.42 4.80 3.08 -0.65 0.14 114.38 121.33 1gti h ARG 74 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1gti h ARG 74 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1gti h ARG 74 CO 0.05 0.99 -0.11 0.66 -1.07 0.00 0.00 179.97 180.49 1gti h SER 75 N -1.00 0.73 -0.46 7.04 4.64 -1.44 -3.06 113.55 120.00 1gti h SER 75 Ca -0.31 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1gti h SER 75 Cb 1.27 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1gti h SER 75 CO -0.19 0.87 0.00 0.18 -0.87 0.00 0.00 176.83 176.82 1gti n LEU 76 N -4.17 2.74 -3.09 5.97 4.77 -0.77 -4.96 117.00 117.50 1gti n LEU 76 Ca 0.01 -1.32 -0.16 0.00 -0.03 0.00 0.00 56.01 54.51 1gti n LEU 76 Cb 0.36 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1gti n LEU 76 CO 0.43 0.66 0.13 0.61 -1.33 0.00 0.00 177.39 177.88 1gti n GLY 77 N 1.33 -0.26 2.34 -0.72 0.00 -1.16 -4.95 105.19 101.76 1gti n GLY 77 Ca 0.18 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.86 4.23 -1.01 0.99 4.77 0.45 -4.76 117.00 117.83 1gti n LEU 78 Ca -0.18 -4.69 0.05 0.00 -0.03 0.00 0.00 56.01 51.16 1gti n LEU 78 Cb 0.62 -0.25 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1gti n LEU 78 CO 0.53 2.02 0.22 0.00 -1.33 0.00 0.00 177.39 178.82 1gti n TYR 79 N -0.55 0.00 0.00 -1.77 4.19 -0.95 -2.60 117.16 115.48 1gti n TYR 79 Ca 0.36 -0.90 0.00 0.00 3.31 0.00 0.00 57.90 60.67 1gti n TYR 79 Cb 0.82 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 40.46 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 -0.28 -0.91 0.06 2.98 0.00 -1.26 -4.31 105.19 101.47 1gti n GLY 80 Ca 0.11 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.84 2.62 -3.91 1.61 2.85 -1.26 -4.99 118.16 114.24 1gti n LYS 81 Ca 0.00 -0.14 -0.09 0.00 -1.05 0.00 0.00 58.31 57.03 1gti n LYS 81 Cb 0.00 -1.12 -0.02 0.00 -0.65 0.00 0.00 35.03 33.24 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 -2.09 -0.04 0.22 -5.58 2.20 -1.26 -5.06 114.94 103.33 1gti s ASN 82 Ca 0.06 -0.91 -0.08 0.00 -0.94 0.00 0.00 52.86 50.99 1gti s ASN 82 Cb 0.10 0.72 0.31 0.00 -2.00 0.00 0.00 41.25 40.37 1gti s ASN 82 CO 0.48 -1.37 1.78 1.56 -2.94 0.00 0.00 177.10 176.61 1gti h GLN 83 N 2.08 0.58 -0.16 3.55 4.20 -1.97 -1.81 115.11 121.58 1gti h GLN 83 Ca -0.25 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.46 1gti h GLN 83 Cb 1.25 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1gti h GLN 83 CO 0.32 0.38 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.71 1gti h ARG 84 N 0.60 -0.04 0.00 1.46 2.43 -1.99 -0.94 114.38 115.89 1gti h ARG 84 Ca 0.33 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1gti h ARG 84 Cb 0.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1gti h ARG 84 CO -0.25 -0.03 -0.24 0.93 -1.51 0.00 0.00 179.97 178.87 1gti h GLU 85 N -0.04 0.00 -0.12 0.20 5.08 -1.85 -1.47 114.58 116.37 1gti h GLU 85 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1gti h GLU 85 Cb 0.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1gti h GLU 85 CO -0.19 0.24 -0.68 0.00 -1.00 0.00 0.00 179.01 177.38 1gti h ALA 86 N 1.76 0.25 -0.36 3.43 0.00 -0.76 -2.26 119.26 121.32 1gti h ALA 86 Ca -0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 1gti h ALA 86 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1gti h ALA 86 CO 0.03 0.55 -0.40 0.00 0.00 0.00 0.00 179.25 179.44 1gti h ALA 87 N 0.51 0.60 0.00 0.00 0.00 -0.93 -2.79 119.26 116.64 1gti h ALA 87 Ca -0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1gti h ALA 87 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1gti h ALA 87 CO 0.14 0.68 -0.34 1.96 0.00 0.00 0.00 179.25 181.69 1gti h GLN 88 N 0.73 0.00 0.00 0.00 4.20 -1.32 -2.07 115.11 116.65 1gti h GLN 88 Ca 0.06 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1gti h GLN 88 Cb 0.98 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1gti h GLN 88 CO 0.10 0.34 -0.55 0.52 -0.67 0.00 0.00 178.83 178.57 1gti h MET 89 N 0.00 0.00 0.12 1.46 2.86 -1.23 -2.55 114.93 115.58 1gti h MET 89 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 1gti h MET 89 Cb 0.73 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.42 1gti h MET 89 CO 0.04 0.55 -1.19 -0.44 1.06 0.00 0.00 176.91 176.93 1gti h ASP 90 N 0.00 0.85 -0.72 1.22 3.32 -1.22 -2.27 116.42 117.60 1gti h ASP 90 Ca -0.01 -0.83 -0.00 0.00 0.02 0.00 0.00 57.03 56.22 1gti h ASP 90 Cb 1.18 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 1gti h ASP 90 CO 0.07 1.59 0.44 -0.03 -1.72 0.00 0.00 179.24 179.59 1gti h MET 91 N 0.22 0.98 -0.04 3.56 4.05 -1.35 -0.76 114.93 121.60 1gti h MET 91 Ca -0.18 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.07 1gti h MET 91 Cb 1.87 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 32.47 1gti h MET 91 CO 0.23 0.69 -0.33 0.28 0.23 0.00 0.00 176.91 178.01 1gti h VAL 92 N 1.00 1.46 -0.51 -5.77 2.07 -1.49 -2.95 116.25 110.06 1gti h VAL 92 Ca 0.26 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1gti h VAL 92 Cb -0.05 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1gti h VAL 92 CO -0.05 0.52 0.26 -1.13 0.02 0.00 0.00 177.57 177.19 1gti h ASN 93 N -0.27 0.63 -0.03 0.57 -1.24 -1.15 -1.69 115.58 112.40 1gti h ASN 93 Ca -0.03 -0.05 -0.11 0.00 0.71 0.00 0.00 56.30 56.82 1gti h ASN 93 Cb 1.02 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 1gti h ASN 93 CO 0.07 0.53 -0.30 0.44 -1.29 0.00 0.00 177.43 176.88 1gti h ASP 94 N 0.72 0.50 -0.19 1.15 5.19 -1.19 -1.40 116.42 121.19 1gti h ASP 94 Ca 0.18 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1gti h ASP 94 Cb 0.05 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1gti h ASP 94 CO -0.03 0.78 -0.30 1.23 -3.12 0.00 0.00 179.24 177.80 1gti h GLY 95 N 1.05 0.74 1.07 2.75 0.00 -1.15 -1.70 103.07 105.83 1gti h GLY 95 Ca 0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1gti h GLY 95 CO 0.06 0.61 0.04 -2.08 0.00 0.00 0.00 176.54 175.17 1gti h VAL 96 N 0.59 1.26 -0.63 4.60 2.07 -1.03 -2.89 116.25 120.22 1gti h VAL 96 Ca 0.07 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1gti h VAL 96 Cb 0.80 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1gti h VAL 96 CO 0.07 0.40 0.14 -0.08 0.02 0.00 0.00 177.57 178.12 1gti h GLU 97 N 0.97 1.02 -0.70 1.57 4.57 -0.99 -0.52 114.58 120.48 1gti h GLU 97 Ca 0.18 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1gti h GLU 97 Cb 0.51 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 1gti h GLU 97 CO 0.02 0.93 0.43 -0.44 -1.18 0.00 0.00 179.01 178.78 1gti h ASP 98 N 0.93 0.70 0.43 1.04 3.32 -1.17 0.11 116.42 121.78 1gti h ASP 98 Ca 0.20 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 1gti h ASP 98 Cb 0.38 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1gti h ASP 98 CO 0.01 0.48 -0.71 0.25 -1.72 0.00 0.00 179.24 177.55 1gti h LEU 99 N 0.84 0.28 -0.97 1.55 5.85 -1.31 -2.88 115.31 118.66 1gti h LEU 99 Ca 0.29 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1gti h LEU 99 Cb 0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1gti h LEU 99 CO -0.12 0.90 -0.46 -0.09 -0.34 0.00 0.00 178.44 178.32 1gti h ARG 100 N 0.16 0.11 -0.48 1.25 2.43 -0.39 -1.71 114.38 115.74 1gti h ARG 100 Ca -0.02 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1gti h ARG 100 Cb 1.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1gti h ARG 100 CO 0.11 0.55 -0.07 0.78 -1.51 0.00 0.00 179.97 179.83 1gti h GLY 101 N 1.35 0.97 0.99 2.80 0.00 -0.65 -1.73 103.07 106.80 1gti h GLY 101 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1gti h GLY 101 CO 0.07 0.71 0.11 0.50 0.00 0.00 0.00 176.54 177.92 1gti h LYS 102 N 0.75 0.84 -0.44 4.80 1.57 -1.29 -1.79 116.57 121.02 1gti h LYS 102 Ca 0.13 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1gti h LYS 102 Cb 0.61 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1gti h LYS 102 CO 0.04 0.81 0.28 -0.92 -0.57 0.00 0.00 179.45 179.09 1gti h TYR 103 N 0.73 0.56 -0.67 -1.35 3.20 -1.17 -1.10 116.97 117.17 1gti h TYR 103 Ca 0.16 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1gti h TYR 103 Cb 0.36 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1gti h TYR 103 CO 0.02 0.38 0.25 0.28 -1.64 0.00 0.00 178.16 177.45 1gti h VAL 104 N 0.58 1.24 -0.65 1.81 2.07 -1.17 -1.64 116.25 118.49 1gti h VAL 104 Ca 0.16 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1gti h VAL 104 Cb -0.03 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1gti h VAL 104 CO -0.03 0.31 0.24 0.74 0.02 0.00 0.00 177.57 178.85 1gti h THR 105 N 0.98 1.24 0.68 2.57 2.02 -0.85 -2.08 112.91 117.47 1gti h THR 105 Ca 0.22 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1gti h THR 105 Cb 0.22 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1gti h THR 105 CO -0.02 0.30 -0.33 0.25 0.37 0.00 0.00 175.52 176.10 1gti h LEU 106 N 0.92 -0.78 -0.97 2.58 5.85 -0.79 -0.15 115.31 121.97 1gti h LEU 106 Ca 0.21 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.04 1gti h LEU 106 Cb 0.23 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 1gti h LEU 106 CO -0.01 -0.48 0.61 0.40 -0.34 0.00 0.00 178.44 178.61 1gti h ILE 107 N -1.05 0.95 0.00 4.05 1.08 -1.28 -0.46 117.51 120.80 1gti h ILE 107 Ca -0.09 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 1gti h ILE 107 Cb 0.73 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1gti h ILE 107 CO 0.15 0.18 -1.80 -1.22 -0.69 0.00 0.00 178.15 174.78 1gti n TYR 108 N -4.62 0.29 0.00 1.37 4.02 -0.79 -4.55 117.16 112.88 1gti n TYR 108 Ca 0.17 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1gti n TYR 108 Cb 0.31 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 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 -2.47 0.00 -2.70 -0.72 -2.24 -0.07 -4.92 114.28 101.16 1gti n THR 109 Ca -0.08 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1gti n THR 109 Cb 0.67 0.92 0.09 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.92 -1.81 -0.04 3.42 5.15 -0.81 -5.02 115.26 115.23 1gti n ASN 110 Ca 0.00 -2.48 -0.13 0.00 -0.60 0.00 0.00 54.58 51.37 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 2.01 0.26 0.46 1.20 3.20 -1.35 -2.01 116.97 120.75 1gti h TYR 111 Ca -0.31 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1gti h TYR 111 Cb 1.25 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 1gti h TYR 111 CO 0.12 0.60 -0.26 0.93 -1.64 0.00 0.00 178.16 177.91 1gti h GLU 112 N -0.16 -0.65 0.05 1.82 3.07 -1.95 -2.77 114.58 113.99 1gti h GLU 112 Ca 0.02 0.04 -0.30 0.00 -0.50 0.00 0.00 59.36 58.63 1gti h GLU 112 Cb 0.54 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1gti h GLU 112 CO 0.02 -0.43 -1.61 -0.97 -1.40 0.00 0.00 179.01 174.62 1gti h ASN 113 N -0.67 0.18 1.69 1.42 -1.24 -1.99 -3.39 115.58 111.58 1gti h ASN 113 Ca -0.06 -0.30 -0.05 0.00 0.71 0.00 0.00 56.30 56.60 1gti h ASN 113 Cb 0.54 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 1gti h ASN 113 CO 0.07 1.26 -0.25 1.23 -1.29 0.00 0.00 177.43 178.46 1gti h GLY 114 N 2.54 0.00 -0.28 1.57 0.00 -1.48 -3.38 103.07 102.04 1gti h GLY 114 Ca -0.26 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.20 1gti h GLY 114 CO 0.11 0.00 -0.16 1.70 0.00 0.00 0.00 176.54 178.19 1gti h LYS 115 N 0.00 0.00 -0.73 4.80 3.64 -1.60 -1.03 116.57 121.66 1gti h LYS 115 Ca -0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1gti h LYS 115 Cb 1.16 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1gti h LYS 115 CO 0.03 0.00 0.47 -0.97 -2.27 0.00 0.00 179.45 176.72 1gti h ASN 116 N 0.00 0.81 0.24 4.20 -1.24 -1.86 -1.61 115.58 116.11 1gti h ASN 116 Ca 0.31 -0.02 -0.12 0.00 0.71 0.00 0.00 56.30 57.18 1gti h ASN 116 Cb 0.47 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1gti h ASN 116 CO -0.66 0.58 -0.45 0.44 -1.29 0.00 0.00 177.43 176.05 1gti h ASP 117 N 0.96 0.28 0.31 1.15 5.19 -1.59 -2.55 116.42 120.17 1gti h ASP 117 Ca 0.27 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1gti h ASP 117 Cb -0.07 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1gti h ASP 117 CO -0.07 0.70 -0.15 0.22 -3.12 0.00 0.00 179.24 176.82 1gti h TYR 118 N 0.22 -0.39 -0.12 4.55 3.20 -0.79 -2.61 116.97 121.04 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 0.88 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1gti h TYR 118 CO 0.02 -0.04 0.10 0.28 -1.64 0.00 0.00 178.16 176.88 1gti h VAL 119 N -0.83 0.71 0.01 1.81 2.07 -1.34 0.73 116.25 119.39 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 31.20 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 0.12 0.00 1.57 3.64 -1.40 -3.24 116.57 117.27 1gti h LYS 120 Ca 0.06 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1gti h LYS 120 Cb 0.26 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1gti h LYS 120 CO -0.00 0.92 -0.77 0.00 -2.27 0.00 0.00 179.45 177.32 1gti n ALA 121 N -2.43 3.82 -0.14 5.00 0.00 -0.51 -4.50 120.51 121.74 1gti n ALA 121 Ca -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1gti n ALA 121 Cb 0.81 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.06 -2.52 0.00 5.85 -0.93 -2.21 115.31 115.44 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 0.57 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1gti h LEU 122 CO 0.00 0.00 0.10 1.55 -0.34 0.00 0.00 178.44 179.76 1gti h PRO 123 N 0.18 0.00 0.00 5.25 0.13 -1.79 -0.42 132.00 135.36 1gti h PRO 123 Ca 0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.19 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 -0.75 0.78 -0.23 0.00 0.00 178.00 177.48 1gti h GLY 124 N 0.00 0.00 1.48 1.56 0.00 -1.71 -2.98 103.07 101.43 1gti h GLY 124 Ca 0.02 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 -1.36 0.45 0.00 0.00 0.00 176.54 175.63 1gti h HIS 125 N 0.00 0.07 0.00 5.60 3.86 -1.10 -3.34 115.15 120.25 1gti h HIS 125 Ca -0.01 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1gti h HIS 125 Cb 1.43 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.90 1gti h HIS 125 CO 0.00 1.06 -0.01 -0.07 0.86 0.00 0.00 177.93 179.77 1gti h LEU 126 N 0.01 0.00 -0.72 2.43 3.38 -1.45 -3.36 115.31 115.60 1gti h LEU 126 Ca -0.15 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1gti h LEU 126 Cb 1.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.59 1gti h LEU 126 CO 0.12 0.00 0.41 0.50 0.09 0.00 0.00 178.44 179.56 1gti h LYS 127 N 0.00 0.72 -0.94 1.13 3.64 -1.64 -2.75 116.57 116.73 1gti h LYS 127 Ca 0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1gti h LYS 127 Cb 0.97 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 1gti h LYS 127 CO 0.00 0.48 0.60 -1.35 -2.27 0.00 0.00 179.45 176.91 1gti h PRO 128 N 0.74 0.99 -0.25 1.90 0.11 -1.80 -0.98 132.00 132.71 1gti h PRO 128 Ca 0.33 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 1gti h PRO 128 Cb 0.21 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1gti h PRO 128 CO -0.19 0.65 -0.23 0.74 -0.21 0.00 0.00 178.00 178.76 1gti h PHE 129 N 1.02 0.52 -0.46 0.65 0.04 -1.74 -1.25 116.94 115.72 1gti h PHE 129 Ca 0.42 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 1gti h PHE 129 Cb 0.29 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1gti h PHE 129 CO -0.00 0.67 -0.03 1.49 -0.60 0.00 0.00 178.31 179.84 1gti h GLU 130 N 0.42 0.83 -0.77 1.51 4.57 -1.12 -2.52 114.58 117.50 1gti h GLU 130 Ca 0.06 -0.28 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1gti h GLU 130 Cb 0.63 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1gti h GLU 130 CO 0.05 0.90 0.29 1.15 -1.18 0.00 0.00 179.01 180.21 1gti h THR 131 N 0.68 1.26 -0.74 0.32 2.02 -0.84 -2.77 112.91 112.84 1gti h THR 131 Ca 0.13 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1gti h THR 131 Cb 0.54 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1gti h THR 131 CO 0.03 0.34 0.38 -0.07 0.37 0.00 0.00 175.52 176.58 1gti h LEU 132 N 1.13 0.94 -0.36 2.58 3.38 -1.05 -2.67 115.31 119.25 1gti h LEU 132 Ca 0.26 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1gti h LEU 132 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1gti h LEU 132 CO -0.02 0.78 0.15 -0.07 0.09 0.00 0.00 178.44 179.38 1gti h LEU 133 N 1.02 0.49 -1.34 1.67 3.38 -1.20 -2.78 115.31 116.55 1gti h LEU 133 Ca 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1gti h LEU 133 Cb 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1gti h LEU 133 CO -0.04 0.51 0.33 0.77 0.09 0.00 0.00 178.44 180.11 1gti h SER 134 N 0.44 0.69 0.85 -0.43 4.64 -1.36 0.64 113.55 119.02 1gti h SER 134 Ca 0.12 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1gti h SER 134 Cb 0.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1gti h SER 134 CO -0.01 0.55 0.00 1.56 -0.87 0.00 0.00 176.83 178.05 1gti h GLN 135 N 0.79 0.00 -3.54 4.77 4.20 -1.21 -2.93 115.11 117.19 1gti h GLN 135 Ca 0.21 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.24 1gti h GLN 135 Cb -0.01 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.40 1gti h GLN 135 CO -0.04 0.00 -0.47 1.21 -0.67 0.00 0.00 178.83 178.86 1gti s ASN 136 N -4.81 4.89 -1.46 1.46 2.47 -0.60 -4.77 114.94 112.12 1gti s ASN 136 Ca 0.03 -2.90 -0.06 0.00 0.42 0.00 0.00 52.86 50.35 1gti s ASN 136 Cb 0.09 -1.77 0.03 0.00 -1.45 0.00 0.00 41.25 38.15 1gti s ASN 136 CO 0.45 -0.32 0.55 0.00 -3.72 0.00 0.00 177.10 174.07 1gti n GLN 137 N 3.36 -4.35 -2.58 0.43 6.02 -1.26 -2.06 117.38 116.94 1gti n GLN 137 Ca 0.07 0.76 -0.21 0.00 -0.01 0.00 0.00 57.00 57.62 1gti n GLN 137 Cb 0.36 -5.57 0.00 0.00 1.02 0.00 0.00 30.24 26.05 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 -1.39 -0.47 2.35 1.08 0.00 -1.10 -2.25 105.19 103.41 1gti n GLY 138 Ca -0.08 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.18 0.28 0.11 -0.02 0.00 0.21 -4.74 105.19 99.85 1gti n GLY 139 Ca -0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.46 116.57 117.00 1gti h LYS 140 Ca -0.37 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1gti h LYS 140 Cb 1.21 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1gti h LYS 140 CO 0.46 1.09 0.00 0.00 -2.27 0.00 0.00 179.45 178.73 1gti n ALA 141 N -2.62 0.00 -2.52 5.00 0.00 -1.26 -5.11 120.51 114.00 1gti n ALA 141 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1gti n ALA 141 Cb 1.03 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 1.85 0.33 0.00 0.08 -1.26 -5.05 117.98 115.32 1gti s PHE 142 Ca 0.00 -1.15 0.05 0.00 0.12 0.00 0.00 56.93 55.94 1gti s PHE 142 Cb 0.00 -1.25 0.68 0.00 -0.57 0.00 0.00 43.02 41.89 1gti s PHE 142 CO 0.00 -0.15 1.89 0.97 -0.10 0.00 0.00 175.22 177.83 1gti h ILE 143 N 1.83 0.94 -3.07 0.64 6.09 -1.96 -3.40 117.51 118.58 1gti h ILE 143 Ca -0.38 -0.29 -0.27 0.00 -1.37 0.00 0.00 64.86 62.55 1gti h ILE 143 Cb 1.27 0.02 -0.35 0.00 0.47 0.00 0.00 36.82 38.24 1gti h ILE 143 CO 0.62 0.15 -0.61 -0.69 -3.07 0.00 0.00 178.15 174.56 1gti s VAL 144 N -5.79 -0.25 0.00 2.19 1.01 -1.26 -4.76 120.40 111.54 1gti s VAL 144 Ca -0.11 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1gti s VAL 144 Cb 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1gti s VAL 144 CO 0.79 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.63 1gti n GLY 145 N 5.16 -1.00 0.04 4.51 0.00 -1.26 -4.60 105.19 108.03 1gti n GLY 145 Ca -0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 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 2.59 -4.83 1.61 9.92 -1.26 -4.10 116.55 120.81 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 0.94 -0.05 0.00 -0.64 0.00 0.00 41.12 41.37 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 -2.37 2.95 0.28 -1.24 -0.21 -1.26 -4.71 119.66 113.10 1gti s GLN 147 Ca -0.05 -0.97 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 1gti s GLN 147 Cb 0.04 -2.62 -0.10 0.00 1.00 0.00 0.00 33.01 31.34 1gti s GLN 147 CO 0.41 0.43 1.18 -1.50 -2.12 0.00 0.00 175.29 173.69 1gti s ILE 148 N -1.99 3.27 0.46 1.08 2.07 -1.26 -4.87 121.20 119.95 1gti s ILE 148 Ca 0.32 1.24 0.03 0.00 -1.41 0.00 0.00 60.65 60.83 1gti s ILE 148 Cb -0.09 -3.79 -0.02 0.00 0.13 0.00 0.00 42.46 38.69 1gti s ILE 148 CO 0.25 0.28 0.06 -0.94 -1.91 0.00 0.00 174.94 172.68 1gti s SER 149 N -0.57 3.46 0.42 4.50 1.04 -1.26 -4.79 113.70 116.50 1gti s SER 149 Ca 0.47 -1.65 0.14 0.00 0.48 0.00 0.00 55.95 55.39 1gti s SER 149 Cb -0.34 0.47 0.91 0.00 0.10 0.00 0.00 66.02 67.16 1gti s SER 149 CO 0.44 -0.87 1.93 2.19 0.98 0.00 0.00 173.24 177.90 1gti h PHE 150 N 1.58 0.00 -0.41 5.02 -0.00 -1.85 -2.47 116.94 118.81 1gti h PHE 150 Ca -0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.54 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 1.48 0.25 0.10 0.00 -0.00 0.00 0.00 178.31 180.14 1gti h ALA 151 N 1.75 1.41 -0.59 12.09 0.00 -1.87 -2.60 119.26 129.45 1gti h ALA 151 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1gti h ALA 151 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1gti h ALA 151 CO 0.03 0.43 0.04 -0.44 0.00 0.00 0.00 179.25 179.31 1gti h ASP 152 N 0.59 0.99 -0.57 0.00 3.32 -1.85 -1.45 116.42 117.45 1gti h ASP 152 Ca 0.14 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1gti h ASP 152 Cb 0.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1gti h ASP 152 CO -0.00 1.03 -0.06 1.88 -1.72 0.00 0.00 179.24 180.37 1gti h TYR 153 N 0.91 1.17 -0.30 4.55 0.05 -1.50 -0.67 116.97 121.18 1gti h TYR 153 Ca 0.17 -0.23 -0.16 0.00 0.05 0.00 0.00 58.73 58.57 1gti h TYR 153 Cb 0.50 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1gti h TYR 153 CO 0.04 1.05 -0.45 -0.97 -1.05 0.00 0.00 178.16 176.78 1gti h ASN 154 N 0.95 0.84 -0.39 3.88 -0.00 -1.40 -2.76 115.58 116.70 1gti h ASN 154 Ca 0.16 -0.40 -0.12 0.00 -0.00 0.00 0.00 56.30 55.93 1gti h ASN 154 Cb 0.63 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 1gti h ASN 154 CO 0.04 1.16 -0.23 0.25 -0.00 0.00 0.00 177.43 178.65 1gti h LEU 155 N 0.62 0.87 -0.62 0.34 5.85 -1.15 -2.43 115.31 118.78 1gti h LEU 155 Ca 0.04 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1gti h LEU 155 Cb 1.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1gti h LEU 155 CO 0.10 1.10 0.38 0.25 -0.34 0.00 0.00 178.44 179.93 1gti h LEU 156 N 0.64 0.62 -0.65 2.25 5.85 -1.09 -1.95 115.31 120.99 1gti h LEU 156 Ca 0.08 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1gti h LEU 156 Cb 0.79 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1gti h LEU 156 CO 0.06 0.43 0.11 -0.78 -0.34 0.00 0.00 178.44 177.93 1gti h ASP 157 N 0.75 1.03 -0.79 1.25 3.58 -1.42 -1.17 116.42 119.65 1gti h ASP 157 Ca 0.25 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1gti h ASP 157 Cb 0.03 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.77 1gti h ASP 157 CO -0.11 1.02 0.47 0.25 -2.88 0.00 0.00 179.24 178.00 1gti h LEU 158 N 0.99 0.94 -0.32 2.28 5.85 -0.99 -2.25 115.31 121.81 1gti h LEU 158 Ca 0.20 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 1gti h LEU 158 Cb 0.43 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1gti h LEU 158 CO 0.01 0.73 -0.71 -0.07 -0.34 0.00 0.00 178.44 178.07 1gti h LEU 159 N 1.08 0.73 -0.68 2.25 3.38 -1.16 -2.88 115.31 118.03 1gti h LEU 159 Ca 0.28 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1gti h LEU 159 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1gti h LEU 159 CO -0.05 1.22 0.31 -0.07 0.09 0.00 0.00 178.44 179.94 1gti h LEU 160 N 0.44 0.91 -0.79 1.67 3.38 -0.96 -2.26 115.31 117.70 1gti h LEU 160 Ca -0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1gti h LEU 160 Cb 1.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1gti h LEU 160 CO 0.14 0.81 -0.28 0.16 0.09 0.00 0.00 178.44 179.35 1gti h ILE 161 N 0.96 0.61 0.00 1.22 3.07 -1.45 -2.96 117.51 118.95 1gti h ILE 161 Ca 0.23 -1.38 0.00 0.00 1.55 0.00 0.00 64.86 65.26 1gti h ILE 161 Cb 0.15 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1gti h ILE 161 CO -0.03 0.28 -0.06 0.45 -1.05 0.00 0.00 178.15 177.74 1gti h HIS 162 N 0.00 0.00 0.00 0.16 3.86 -1.23 -2.69 115.15 115.25 1gti h HIS 162 Ca -0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1gti h HIS 162 Cb 0.91 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 1gti h HIS 162 CO 0.00 0.00 -0.48 1.96 0.86 0.00 0.00 177.93 180.27 1gti h GLN 163 N 0.00 0.00 0.16 2.45 4.20 -1.24 -0.42 115.11 120.25 1gti h GLN 163 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1gti h GLN 163 Cb 0.81 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1gti h GLN 163 CO 0.00 0.43 -1.41 0.28 -0.67 0.00 0.00 178.83 177.46 1gti h VAL 164 N 0.00 1.31 0.09 -0.54 2.07 -1.57 -2.54 116.25 115.07 1gti h VAL 164 Ca -0.01 -2.87 -0.00 0.00 0.82 0.00 0.00 66.70 64.64 1gti h VAL 164 Cb 1.35 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 34.02 1gti h VAL 164 CO 0.06 0.85 -0.04 0.25 0.02 0.00 0.00 177.57 178.71 1gti h LEU 165 N 0.09 -0.10 -6.98 2.57 7.12 -1.48 -3.40 115.31 113.14 1gti h LEU 165 Ca -0.21 -0.41 -0.61 0.00 0.13 0.00 0.00 57.88 56.79 1gti h LEU 165 Cb 2.04 0.03 -0.40 0.00 -0.53 0.00 0.00 40.66 41.79 1gti h LEU 165 CO 0.21 0.38 -0.74 0.00 -0.13 0.00 0.00 178.44 178.16 1gti s ALA 166 N -4.26 2.16 0.16 1.25 0.00 -0.17 -5.04 121.76 115.85 1gti s ALA 166 Ca -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 51.96 49.22 1gti s ALA 166 Cb 0.01 -1.89 0.39 0.00 0.00 0.00 0.00 23.12 21.63 1gti s ALA 166 CO 0.61 -2.06 0.79 -2.30 0.00 0.00 0.00 175.76 172.80 1gti n PRO 167 N 3.52 -0.04 -1.70 0.00 -0.02 -0.96 -1.49 135.00 134.32 1gti n PRO 167 Ca 0.09 0.76 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1gti n PRO 167 Cb 0.35 -1.21 0.06 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.26 6.11 0.07 -1.23 0.00 -1.26 -4.77 105.19 102.85 1gti n GLY 168 Ca 0.12 -2.36 0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.89 2.02 -0.32 0.00 4.77 -1.26 -4.58 117.00 115.74 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 0.23 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.59 1gti n LEU 170 CO 0.19 0.37 1.24 0.44 -1.33 0.00 0.00 177.39 178.30 1gti h ASP 171 N 2.56 0.87 -0.11 -1.43 3.32 -1.91 -0.11 116.42 119.62 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 0.65 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1gti h ASP 171 CO 0.00 0.50 0.00 0.59 -1.72 0.00 0.00 179.24 178.61 1gti n ASN 172 N -4.55 0.70 -3.67 6.45 4.13 -1.26 -4.46 115.26 112.60 1gti n ASN 172 Ca 0.17 -1.84 -0.29 0.00 1.68 0.00 0.00 54.58 54.30 1gti n ASN 172 Cb 0.31 -0.07 -0.13 0.00 -1.54 0.00 0.00 39.78 38.35 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 -1.85 1.83 0.12 3.10 0.08 -0.05 -5.01 117.98 116.19 1gti s PHE 173 Ca 0.16 -2.35 -0.25 0.00 0.12 0.00 0.00 56.93 54.61 1gti s PHE 173 Cb 0.08 -1.73 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 1gti s PHE 173 CO 0.12 -0.78 1.65 -1.35 -0.10 0.00 0.00 175.22 174.76 1gti h PRO 174 N 6.63 -0.31 -0.36 0.24 0.11 -1.78 -2.02 132.00 134.51 1gti h PRO 174 Ca 0.03 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.17 1gti h PRO 174 Cb 0.92 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1gti h PRO 174 CO 0.46 -0.21 0.21 -0.07 -0.21 0.00 0.00 178.00 178.18 1gti h LEU 175 N -0.32 0.35 -1.34 2.35 3.38 -1.94 -1.84 115.31 115.94 1gti h LEU 175 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1gti h LEU 175 Cb 0.42 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1gti h LEU 175 CO -0.22 0.25 -0.24 -0.07 0.09 0.00 0.00 178.44 178.25 1gti h LEU 176 N 0.43 0.13 -0.37 1.67 3.38 -1.90 0.71 115.31 119.38 1gti h LEU 176 Ca 0.14 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1gti h LEU 176 Cb -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1gti h LEU 176 CO -0.06 0.38 -0.38 0.28 0.09 0.00 0.00 178.44 178.75 1gti h SER 177 N 0.13 0.97 0.32 -0.43 0.02 -0.94 -2.33 113.55 111.29 1gti h SER 177 Ca 0.02 -0.47 -0.19 0.00 -0.84 0.00 0.00 61.79 60.31 1gti h SER 177 Cb 0.50 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gti h SER 177 CO 0.03 1.24 -0.80 0.00 -1.14 0.00 0.00 176.83 176.17 1gti h ALA 178 N 0.76 0.54 -0.64 3.77 0.00 -1.08 -2.74 119.26 119.87 1gti h ALA 178 Ca 0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1gti h ALA 178 Cb 0.98 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1gti h ALA 178 CO 0.09 0.80 0.38 -0.92 0.00 0.00 0.00 179.25 179.60 1gti h TYR 179 N 0.24 0.84 -0.41 0.00 3.20 -0.79 0.11 116.97 120.16 1gti h TYR 179 Ca -0.04 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 1gti h TYR 179 Cb 1.39 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1gti h TYR 179 CO 0.05 0.58 -0.35 0.28 -1.64 0.00 0.00 178.16 177.07 1gti h VAL 180 N 0.86 1.27 -0.43 1.81 2.07 -1.43 -2.13 116.25 118.28 1gti h VAL 180 Ca 0.23 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 1gti h VAL 180 Cb -0.01 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1gti h VAL 180 CO -0.04 0.51 -0.10 0.00 0.02 0.00 0.00 177.57 177.96 1gti h ALA 181 N 0.79 1.03 0.37 1.67 0.00 -1.16 -1.99 119.26 119.97 1gti h ALA 181 Ca 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1gti h ALA 181 Cb 0.95 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1gti h ALA 181 CO 0.09 0.59 -0.18 -0.09 0.00 0.00 0.00 179.25 179.66 1gti h ARG 182 N 0.69 -0.48 0.00 0.00 2.43 -0.71 -2.36 114.38 113.95 1gti h ARG 182 Ca 0.12 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1gti h ARG 182 Cb 0.57 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1gti h ARG 182 CO 0.04 -0.17 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.17 1gti h LEU 183 N -0.94 0.00 -0.07 3.80 4.07 -1.42 -1.18 115.31 119.57 1gti h LEU 183 Ca -0.05 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 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 0.08 -0.34 0.28 -1.08 0.00 0.00 178.44 177.47 1gti h SER 184 N 0.00 0.00 1.18 -0.43 0.02 -1.36 -3.20 113.55 109.76 1gti h SER 184 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1gti h SER 184 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1gti h SER 184 CO 0.01 0.34 -0.07 0.00 -1.14 0.00 0.00 176.83 175.97 1gti h ALA 185 N 1.66 1.00 -2.22 3.77 0.00 -0.65 -3.28 119.26 119.54 1gti h ALA 185 Ca -0.00 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 1gti h ALA 185 Cb 1.24 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.04 1gti h ALA 185 CO 0.04 0.09 1.14 0.54 0.00 0.00 0.00 179.25 181.06 1gti n ARG 186 N -3.17 2.52 -0.33 0.00 1.74 -1.20 -4.80 116.66 111.42 1gti n ARG 186 Ca 0.01 0.92 0.09 0.00 -0.77 0.00 0.00 57.85 58.10 1gti n ARG 186 Cb 0.39 -2.81 0.20 0.00 -1.02 0.00 0.00 32.46 29.22 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 9.50 0.02 -0.23 5.56 0.13 -1.92 0.79 132.00 145.85 1gti h PRO 187 Ca -0.49 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1gti h PRO 187 Cb 1.25 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1gti h PRO 187 CO 0.94 0.01 0.10 0.87 -0.23 0.00 0.00 178.00 179.69 1gti h LYS 188 N 0.02 0.35 -0.15 0.86 1.79 -1.90 -2.02 116.57 115.51 1gti h LYS 188 Ca 0.51 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.88 1gti h LYS 188 Cb 0.93 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1gti h LYS 188 CO -0.90 0.39 -0.04 0.82 -1.08 0.00 0.00 179.45 178.64 1gti h ILE 189 N 0.23 1.29 -0.93 1.86 2.04 -1.64 -2.89 117.51 117.46 1gti h ILE 189 Ca 0.08 -0.99 0.14 0.00 1.00 0.00 0.00 64.86 65.08 1gti h ILE 189 Cb 0.17 1.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 1gti h ILE 189 CO -0.01 0.29 0.55 0.50 0.00 0.00 0.00 178.15 179.48 1gti h LYS 190 N -0.00 0.79 -0.44 2.37 3.64 -0.85 0.19 116.57 122.27 1gti h LYS 190 Ca 0.04 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1gti h LYS 190 Cb 0.47 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1gti h LYS 190 CO 0.02 0.53 0.03 0.00 -2.27 0.00 0.00 179.45 177.76 1gti h ALA 191 N 1.55 1.23 -0.16 5.00 0.00 -1.29 -2.48 119.26 123.11 1gti h ALA 191 Ca 0.49 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 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 -0.31 0.52 -0.41 0.35 0.00 0.00 0.00 179.25 179.40 1gti h PHE 192 N 0.67 0.72 0.00 0.00 3.57 -0.53 -2.87 116.94 118.49 1gti h PHE 192 Ca 0.14 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1gti h PHE 192 Cb 0.36 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1gti h PHE 192 CO 0.02 1.03 0.00 -0.07 -2.23 0.00 0.00 178.31 177.06 1gti h LEU 193 N 0.21 0.00 -3.25 0.59 3.38 -0.72 -2.05 115.31 113.47 1gti h LEU 193 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gti h LEU 193 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1gti h LEU 193 CO 0.09 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 1gti n SER 194 N -2.97 3.93 -4.85 -0.43 7.64 -0.95 -4.74 113.62 111.25 1gti n SER 194 Ca -0.01 -2.96 -0.36 0.00 1.01 0.00 0.00 58.87 56.55 1gti n SER 194 Cb 0.20 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.83 6.78 0.22 6.43 1.04 -0.77 -4.98 113.70 120.60 1gti s SER 195 Ca 0.42 0.97 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 1gti s SER 195 Cb 0.33 -2.25 0.28 0.00 0.10 0.00 0.00 66.02 64.48 1gti s SER 195 CO 0.10 0.21 1.82 1.55 0.98 0.00 0.00 173.24 177.90 1gti h PRO 196 N 4.07 0.76 0.00 4.02 0.13 -1.92 -0.68 132.00 138.38 1gti h PRO 196 Ca -0.50 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1gti h PRO 196 Cb 1.20 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1gti h PRO 196 CO 0.64 0.50 -0.00 1.05 -0.23 0.00 0.00 178.00 179.97 1gti h GLU 197 N 0.79 0.00 0.01 0.86 4.11 -1.94 -0.51 114.58 117.90 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 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1gti h GLU 197 CO -0.18 0.00 -1.54 1.58 0.07 0.00 0.00 179.01 178.94 1gti n HIS 198 N -3.45 0.87 -0.03 2.06 -0.00 -0.56 -4.06 115.22 110.05 1gti n HIS 198 Ca -0.03 0.35 -0.11 0.00 0.46 0.00 0.00 57.72 58.40 1gti n HIS 198 Cb 0.08 -1.09 -0.05 0.00 -0.12 0.00 0.00 29.99 28.81 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 -0.89 1.11 0.00 3.57 2.07 -0.91 -2.54 116.25 118.66 1gti h VAL 199 Ca -0.41 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1gti h VAL 199 Cb 1.43 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1gti h VAL 199 CO -0.22 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.07 1gti n ASN 200 N -4.91 0.34 -4.67 0.57 3.02 -0.22 -4.62 115.26 104.76 1gti n ASN 200 Ca -0.04 0.61 -0.39 0.00 -0.03 0.00 0.00 54.58 54.72 1gti n ASN 200 Cb 0.08 -0.67 -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 -3.21 4.21 0.53 3.52 3.52 -0.96 -5.07 118.95 121.50 1gti s ARG 201 Ca 0.03 0.37 -0.19 0.00 -0.13 0.00 0.00 55.73 55.81 1gti s ARG 201 Cb 0.07 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1gti s ARG 201 CO 0.26 -0.07 1.08 -1.25 -0.81 0.00 0.00 175.30 174.52 1gti s PRO 202 N 1.38 3.52 0.05 5.12 0.04 -1.26 -4.78 135.00 139.07 1gti s PRO 202 Ca 0.23 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 1gti s PRO 202 Cb -0.15 -2.04 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 1gti s PRO 202 CO 0.09 -0.68 1.46 0.82 0.04 0.00 0.00 177.00 178.73 1gti h ILE 203 N 1.25 0.51 -1.42 0.56 2.04 -1.95 -1.04 117.51 117.46 1gti h ILE 203 Ca -0.49 -0.24 -0.56 0.00 1.00 0.00 0.00 64.86 64.56 1gti h ILE 203 Cb 1.24 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1gti h ILE 203 CO 0.58 0.04 -0.46 0.20 0.00 0.00 0.00 178.15 178.51 1gti s ASN 204 N -4.73 4.52 -0.36 1.72 0.02 -1.26 -1.32 114.94 113.53 1gti s ASN 204 Ca -0.16 -1.08 0.03 0.00 -1.02 0.00 0.00 52.86 50.64 1gti s ASN 204 Cb 0.03 -0.36 0.54 0.00 0.02 0.00 0.00 41.25 41.48 1gti s ASN 204 CO 0.58 -0.63 1.73 0.61 0.02 0.00 0.00 177.10 179.41 1gti n GLY 205 N -1.34 3.98 0.31 0.66 0.00 -1.26 -4.19 105.19 103.36 1gti n GLY 205 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.80 0.00 0.00 1.61 6.94 -1.26 -5.01 115.26 116.74 1gti n ASN 206 Ca 0.48 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.61 1gti n ASN 206 Cb 1.44 -0.08 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 3.75 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 -0.00 4.28 0.00 1.61 1.02 -1.26 -5.04 119.74 120.34 1gti s LYS 208 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1gti s LYS 208 Cb 0.00 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1gti s LYS 208 CO 0.00 0.30 0.00 0.00 -0.92 0.00 0.00 175.35 174.73