#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gis s VAL 17 N 0.00 5.40 -1.44 1.39 1.01 0.20 -4.33 120.40 122.62 3gis s VAL 17 Ca 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 3gis s VAL 17 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3gis s VAL 17 CO 0.00 0.54 0.32 -0.62 0.00 0.00 0.00 175.10 175.34 3gis n GLU 18 N 2.53 -3.14 0.00 2.72 -0.58 -1.26 -2.17 120.64 118.75 3gis n GLU 18 Ca -0.17 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 3gis n GLU 18 Cb 0.54 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 26.00 3gis n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gis n GLY 19 N -1.26 3.48 3.27 0.62 0.00 -1.26 -4.52 105.19 105.52 3gis n GLY 19 Ca -0.15 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 3gis n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gis s SER 20 N -0.47 0.14 0.14 1.61 1.04 -0.24 -4.93 113.70 111.00 3gis s SER 20 Ca 0.00 -1.09 -0.31 0.00 0.48 0.00 0.00 55.95 55.03 3gis s SER 20 Cb 0.00 0.39 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 3gis s SER 20 CO 0.00 -0.85 1.46 -1.81 0.98 0.00 0.00 173.24 173.02 3gis s ASP 21 N -3.04 6.73 0.71 7.02 1.01 -1.26 -0.27 116.67 127.58 3gis s ASP 21 Ca 0.24 2.45 -0.11 0.00 0.71 0.00 0.00 52.55 55.84 3gis s ASP 21 Cb 0.05 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.41 3gis s ASP 21 CO 0.04 -0.72 1.07 0.00 0.21 0.00 0.00 175.17 175.77 3gis s ALA 22 N 1.04 2.55 0.55 5.23 0.00 -0.34 -4.79 121.76 126.00 3gis s ALA 22 Ca 0.66 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 3gis s ALA 22 Cb -0.40 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 3gis s ALA 22 CO 0.31 -1.37 0.85 -1.21 0.00 0.00 0.00 175.76 174.34 3gis s GLU 23 N -4.94 3.07 0.23 0.00 2.02 -1.26 -4.91 118.70 112.91 3gis s GLU 23 Ca 0.59 -0.03 -0.31 0.00 0.02 0.00 0.00 54.97 55.25 3gis s GLU 23 Cb -0.15 -2.33 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 3gis s GLU 23 CO 0.54 -0.54 1.55 0.42 0.02 0.00 0.00 175.26 177.26 3gis s ILE 24 N -2.88 2.41 -0.01 -1.63 -1.09 -1.26 -2.24 121.20 114.50 3gis s ILE 24 Ca 0.52 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 3gis s ILE 24 Cb -0.10 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3gis s ILE 24 CO 0.44 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3gis n GLY 25 N 2.83 0.23 0.23 6.18 0.00 -1.26 -4.88 105.19 108.51 3gis n GLY 25 Ca 0.10 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3gis n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3gis h MET 26 N 0.45 0.18 -2.28 1.61 -1.53 -1.82 -3.31 114.93 108.24 3gis h MET 26 Ca -0.00 -0.05 -0.58 0.00 -3.44 0.00 0.00 59.70 55.63 3gis h MET 26 Cb 0.55 -0.02 -0.40 0.00 -0.55 0.00 0.00 31.60 31.18 3gis h MET 26 CO 0.00 0.37 -0.91 0.43 0.14 0.00 0.00 176.91 176.95 3gis n SER 27 N -4.24 1.01 0.23 1.39 7.64 -1.26 -4.97 113.62 113.41 3gis n SER 27 Ca -0.01 -2.80 0.15 0.00 1.01 0.00 0.00 58.87 57.21 3gis n SER 27 Cb 0.30 -0.64 0.79 0.00 -1.01 0.00 0.00 64.21 63.65 3gis n SER 27 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3gis h PRO 28 N 4.69 0.00 -0.02 1.43 0.11 -1.76 -1.32 132.00 135.13 3gis h PRO 28 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3gis h PRO 28 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3gis h PRO 28 CO 0.54 0.00 -0.34 -2.67 -0.21 0.00 0.00 178.00 175.32 3gis n TRP 29 N -2.53 0.00 -2.06 0.65 2.14 -0.92 -1.80 117.44 112.92 3gis n TRP 29 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 3gis n TRP 29 Cb 0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.51 3gis n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3gis s GLN 30 N -2.40 4.26 0.06 -2.67 2.00 -0.50 -0.45 119.66 119.96 3gis s GLN 30 Ca 0.22 2.20 0.09 0.00 -2.00 0.00 0.00 55.36 55.87 3gis s GLN 30 Cb 0.19 -3.30 -0.03 0.00 0.80 0.00 0.00 33.01 30.67 3gis s GLN 30 CO 0.51 -0.55 -0.23 0.08 -0.50 0.00 0.00 175.29 174.60 3gis s VAL 31 N 1.48 1.91 -0.18 1.34 1.01 0.87 -4.08 120.40 122.74 3gis s VAL 31 Ca 0.68 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3gis s VAL 31 Cb -0.39 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3gis s VAL 31 CO 0.30 0.22 -0.07 -0.32 0.00 0.00 0.00 175.10 175.23 3gis s MET 32 N -1.39 3.44 -0.34 2.72 1.75 -0.40 -0.76 119.30 124.32 3gis s MET 32 Ca 0.10 -0.63 -0.18 0.00 -1.25 0.00 0.00 55.69 53.73 3gis s MET 32 Cb -0.09 -2.85 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 3gis s MET 32 CO 0.03 0.03 0.51 -0.51 -0.65 0.00 0.00 175.02 174.43 3gis s LEU 33 N 0.86 4.32 -0.20 4.11 1.43 0.23 -0.93 118.68 128.50 3gis s LEU 33 Ca -0.02 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3gis s LEU 33 Cb -0.15 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3gis s LEU 33 CO 0.01 -0.46 -0.03 0.12 0.23 0.00 0.00 176.35 176.22 3gis s PHE 34 N 2.38 2.99 0.20 0.29 5.36 -0.16 -0.28 117.98 128.76 3gis s PHE 34 Ca 0.19 -0.60 -0.30 0.00 -0.96 0.00 0.00 56.93 55.26 3gis s PHE 34 Cb -0.15 -2.06 -0.08 0.00 -0.34 0.00 0.00 43.02 40.39 3gis s PHE 34 CO 0.13 -0.31 1.09 0.50 -1.46 0.00 0.00 175.22 175.17 3gis s ARG 35 N 1.02 4.62 -0.02 10.12 3.52 0.16 -0.82 118.95 137.54 3gis s ARG 35 Ca 0.01 1.72 -0.23 0.00 -0.13 0.00 0.00 55.73 57.09 3gis s ARG 35 Cb -0.15 -3.26 -0.21 0.00 -1.56 0.00 0.00 34.95 29.77 3gis s ARG 35 CO 0.01 0.13 1.12 0.87 -0.81 0.00 0.00 175.30 176.61 3gis h LYS 36 N 4.82 0.22 -3.49 5.12 1.57 -1.73 -2.11 116.57 120.97 3gis h LYS 36 Ca -0.45 -0.20 -0.54 0.00 -1.87 0.00 0.00 60.65 57.60 3gis h LYS 36 Cb 1.21 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 3gis h LYS 36 CO 0.71 0.87 -0.76 0.45 -0.57 0.00 0.00 179.45 180.15 3gis s SER 36 N -6.28 3.25 0.50 0.86 0.15 -1.26 -1.84 113.70 109.08 3gis s SER 36 Ca -0.15 -1.06 -0.11 0.00 0.70 0.00 0.00 55.95 55.32 3gis s SER 36 Cb 0.02 -0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 63.63 3gis s SER 36 CO 0.75 -0.34 0.89 -2.16 1.20 0.00 0.00 173.24 173.57 3gis s PRO 37 N 1.82 3.72 -0.59 5.44 0.04 -1.26 -5.04 135.00 139.13 3gis s PRO 37 Ca 0.02 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.40 3gis s PRO 37 Cb -0.17 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 3gis s PRO 37 CO -0.15 -0.26 2.44 1.04 0.04 0.00 0.00 177.00 180.11 3gis n GLN 38 N -1.93 0.86 -3.53 4.56 1.13 -0.77 -4.56 117.38 113.15 3gis n GLN 38 Ca 0.04 -0.15 -0.11 0.00 -1.94 0.00 0.00 57.00 54.84 3gis n GLN 38 Cb 0.54 -3.32 -0.02 0.00 0.11 0.00 0.00 30.24 27.55 3gis n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3gis s GLU 39 N 8.44 1.39 0.24 -1.09 -1.05 -0.79 -4.98 118.70 120.85 3gis s GLU 39 Ca 1.00 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 54.93 3gis s GLU 39 Cb -0.25 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 3gis s GLU 39 CO 0.25 -0.61 1.42 -1.17 0.95 0.00 0.00 175.26 176.09 3gis s LEU 40 N -2.79 4.39 -0.15 1.83 2.96 -1.26 0.38 118.68 124.04 3gis s LEU 40 Ca 0.03 2.62 -0.06 0.00 -0.22 0.00 0.00 54.13 56.51 3gis s LEU 40 Cb -0.02 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 3gis s LEU 40 CO -0.08 -0.67 -0.19 -0.11 -1.32 0.00 0.00 176.35 173.98 3gis n LEU 41 N 2.36 1.49 -3.85 -0.68 7.94 0.62 -4.76 117.00 120.12 3gis n LEU 41 Ca 0.07 0.13 -0.01 0.00 -1.11 0.00 0.00 56.01 55.09 3gis n LEU 41 Cb 0.41 -0.47 0.01 0.00 0.53 0.00 0.00 43.42 43.90 3gis n LEU 41 CO 0.60 0.41 0.90 0.00 -1.11 0.00 0.00 177.39 178.20 3gis s GLY 43 N -3.37 1.81 0.18 0.00 0.00 0.81 -0.60 107.32 106.16 3gis s GLY 43 Ca 0.21 -1.92 -0.22 0.00 0.00 0.00 0.00 44.72 42.78 3gis s GLY 43 CO 0.02 -1.56 1.04 0.00 0.00 0.00 0.00 173.10 172.60 3gis s ALA 44 N -2.59 -1.62 0.02 3.20 0.00 0.06 -3.31 121.76 117.52 3gis s ALA 44 Ca 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3gis s ALA 44 Cb -0.07 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3gis s ALA 44 CO 0.37 -1.07 -0.03 -1.54 0.00 0.00 0.00 175.76 173.50 3gis s SER 45 N -3.39 0.22 -0.21 0.00 1.04 -0.18 -0.09 113.70 111.09 3gis s SER 45 Ca 0.22 -0.46 -0.19 0.00 0.48 0.00 0.00 55.95 56.00 3gis s SER 45 Cb -0.02 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 3gis s SER 45 CO 0.05 -0.27 0.54 -0.22 0.98 0.00 0.00 173.24 174.31 3gis s LEU 46 N -1.33 4.14 -0.01 2.42 0.20 0.40 -0.68 118.68 123.82 3gis s LEU 46 Ca -0.15 0.69 0.10 0.00 0.69 0.00 0.00 54.13 55.46 3gis s LEU 46 Cb -0.09 -2.74 -0.13 0.00 -0.43 0.00 0.00 46.19 42.80 3gis s LEU 46 CO -0.01 -0.21 0.33 2.30 -0.29 0.00 0.00 176.35 178.47 3gis n ILE 47 N 4.63 0.00 -3.37 6.68 -5.35 -0.85 -1.27 119.36 119.84 3gis n ILE 47 Ca -0.04 -0.25 -0.04 0.00 -0.27 0.00 0.00 62.75 62.15 3gis n ILE 47 Cb 0.50 0.67 0.01 0.00 -1.74 0.00 0.00 39.64 39.08 3gis n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gis n SER 48 N -1.51 -0.75 0.02 7.28 3.41 -1.21 -4.64 113.62 116.23 3gis n SER 48 Ca 0.00 -1.58 0.12 0.00 -0.26 0.00 0.00 58.87 57.15 3gis n SER 48 Cb 0.20 1.26 0.51 0.00 -0.26 0.00 0.00 64.21 65.92 3gis n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gis n ASP 49 N -1.34 0.13 0.00 4.04 5.68 -1.26 -3.98 116.55 119.83 3gis n ASP 49 Ca -0.02 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 3gis n ASP 49 Cb 0.21 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 3gis n ASP 49 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3gis n ARG 50 N -1.63 -0.14 -5.04 0.11 1.85 -1.26 -0.23 116.66 110.33 3gis n ARG 50 Ca 0.06 -0.17 -0.32 0.00 -1.00 0.00 0.00 57.85 56.42 3gis n ARG 50 Cb 0.30 -0.61 -0.16 0.00 -1.05 0.00 0.00 32.46 30.95 3gis n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3gis s TRP 51 N -0.02 2.65 -0.04 2.89 0.52 -1.26 -0.23 118.94 123.46 3gis s TRP 51 Ca 0.00 -0.81 0.06 0.00 0.02 0.00 0.00 56.10 55.37 3gis s TRP 51 Cb 0.00 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 3gis s TRP 51 CO 0.00 -0.28 -0.23 0.08 0.02 0.00 0.00 176.95 176.54 3gis s VAL 52 N 0.23 1.84 -0.07 4.03 1.01 0.15 -2.00 120.40 125.59 3gis s VAL 52 Ca -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 3gis s VAL 52 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3gis s VAL 52 CO 0.07 0.52 0.03 -0.22 0.00 0.00 0.00 175.10 175.49 3gis s LEU 53 N -0.31 3.70 0.00 3.92 2.96 0.14 -0.80 118.68 128.29 3gis s LEU 53 Ca 0.02 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 3gis s LEU 53 Cb -0.11 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.69 3gis s LEU 53 CO 0.01 0.36 0.47 1.07 -1.32 0.00 0.00 176.35 176.95 3gis n THR 54 N 1.94 0.00 -3.40 3.68 5.66 -0.70 -1.01 114.28 120.46 3gis n THR 54 Ca -0.18 -0.89 -0.38 0.00 -3.05 0.00 0.00 64.05 59.55 3gis n THR 54 Cb 0.54 0.72 -0.06 0.00 -1.55 0.00 0.00 70.33 69.97 3gis n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gis s ALA 55 N -1.99 3.65 0.36 1.79 0.00 -1.26 -1.20 121.76 123.11 3gis s ALA 55 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3gis s ALA 55 Cb -0.02 -2.50 0.68 0.00 0.00 0.00 0.00 23.12 21.28 3gis s ALA 55 CO 0.11 0.44 1.96 0.00 0.00 0.00 0.00 175.76 178.27 3gis h ALA 56 N 4.63 1.51 0.00 0.00 0.00 -1.70 -2.59 119.26 121.12 3gis h ALA 56 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3gis h ALA 56 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gis h ALA 56 CO 0.62 0.38 0.00 -2.39 0.00 0.00 0.00 179.25 177.87 3gis n HIS 57 N -4.37 0.00 0.07 0.00 1.44 -1.26 -0.54 115.22 110.56 3gis n HIS 57 Ca 0.03 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.65 3gis n HIS 57 Cb 0.15 -0.39 -0.11 0.00 0.12 0.00 0.00 29.99 29.75 3gis n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gis n LEU 59 N -3.42 1.71 -3.74 0.00 4.77 -0.85 -4.80 117.00 110.66 3gis n LEU 59 Ca -0.02 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 3gis n LEU 59 Cb 0.94 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3gis n LEU 59 CO 0.48 0.72 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.67 3gis s LEU 60 N -6.22 1.35 -0.28 2.23 2.96 0.29 -1.76 118.68 117.25 3gis s LEU 60 Ca -0.21 -0.93 -0.37 0.00 -0.22 0.00 0.00 54.13 52.40 3gis s LEU 60 Cb 0.08 -0.65 0.16 0.00 0.50 0.00 0.00 46.19 46.27 3gis s LEU 60 CO 0.73 -0.31 1.36 -0.47 -1.32 0.00 0.00 176.35 176.33 3gis s TYR 60 N 1.81 -0.03 0.00 5.38 5.04 0.43 -4.21 117.35 125.77 3gis s TYR 60 Ca -0.00 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 3gis s TYR 60 Cb -0.17 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.64 3gis s TYR 60 CO -0.10 -0.05 0.00 -2.30 -1.34 0.00 0.00 175.55 171.77 3gis n PRO 60 N 0.03 0.00 -1.01 4.97 -0.02 -1.26 -2.08 135.00 135.63 3gis n PRO 60 Ca 0.04 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 3gis n PRO 60 Cb 0.57 0.00 0.26 0.00 -0.02 0.00 0.00 33.50 34.31 3gis n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gis n TRP 60 N 0.00 2.35 -3.47 6.00 8.01 -1.26 -4.89 117.44 124.17 3gis n TRP 60 Ca 0.00 -1.39 -0.25 0.00 -1.31 0.00 0.00 57.50 54.55 3gis n TRP 60 Cb 0.00 -0.71 0.05 0.00 -2.01 0.00 0.00 31.31 28.65 3gis n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3gis n ASP 60 N -0.55 -5.95 -3.89 -0.99 2.03 -1.23 -4.97 116.55 101.01 3gis n ASP 60 Ca 0.44 -0.50 -0.30 0.00 0.52 0.00 0.00 54.79 54.95 3gis n ASP 60 Cb 1.39 -4.73 -0.15 0.00 -0.72 0.00 0.00 41.12 36.90 3gis n ASP 60 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3gis s LYS 60 N -6.17 1.29 -0.51 -0.67 1.02 -0.88 -4.98 119.74 108.83 3gis s LYS 60 Ca 0.51 -1.20 0.07 0.00 0.02 0.00 0.00 55.97 55.37 3gis s LYS 60 Cb -0.23 -2.54 0.20 0.00 -0.52 0.00 0.00 37.83 34.73 3gis s LYS 60 CO 0.63 -0.79 0.75 -1.71 -0.92 0.00 0.00 175.35 173.31 3gis n ASN 60 N 4.64 -3.36 -4.85 2.83 4.05 -1.19 0.16 115.26 117.55 3gis n ASN 60 Ca -0.05 -2.97 -0.27 0.00 0.45 0.00 0.00 54.58 51.74 3gis n ASN 60 Cb 0.43 1.74 -0.05 0.00 1.23 0.00 0.00 39.78 43.14 3gis n ASN 60 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gis s PHE 60 N 0.84 3.28 0.36 1.20 0.40 -0.72 -5.05 117.98 118.29 3gis s PHE 60 Ca 0.30 0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.77 3gis s PHE 60 Cb 0.03 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 3gis s PHE 60 CO -0.08 0.52 0.14 0.95 0.70 0.00 0.00 175.22 177.46 3gis s THR 60 N -1.68 2.78 0.38 0.64 -4.23 -1.26 -4.95 115.64 107.32 3gis s THR 60 Ca 0.32 -1.72 0.16 0.00 -1.18 0.00 0.00 61.69 59.27 3gis s THR 60 Cb -0.11 -2.96 0.37 0.00 1.34 0.00 0.00 72.50 71.15 3gis s THR 60 CO 0.25 -0.13 1.78 -0.33 -0.54 0.00 0.00 174.62 175.64 3gis h GLU 61 N 1.53 0.44 0.00 3.99 3.07 -1.93 -1.16 114.58 120.52 3gis h GLU 61 Ca -0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3gis h GLU 61 Cb 1.25 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3gis h GLU 61 CO 0.65 0.29 -0.03 0.09 -1.40 0.00 0.00 179.01 178.61 3gis n ASN 62 N -4.66 0.18 0.19 1.42 3.02 -1.26 -3.87 115.26 110.29 3gis n ASN 62 Ca 0.25 0.47 0.05 0.00 -0.03 0.00 0.00 54.58 55.31 3gis n ASN 62 Cb 0.81 -0.50 0.39 0.00 -0.61 0.00 0.00 39.78 39.87 3gis n ASN 62 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3gis h ASP 63 N 0.00 0.00 -3.87 6.41 3.45 -1.60 -3.47 116.42 117.35 3gis h ASP 63 Ca 0.00 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 57.01 3gis h ASP 63 Cb 0.55 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.18 3gis h ASP 63 CO 0.00 0.36 -0.57 -1.48 -1.57 0.00 0.00 179.24 175.97 3gis s LEU 64 N -7.68 1.88 -0.01 1.55 0.05 -1.25 -2.14 118.68 111.09 3gis s LEU 64 Ca -0.02 -1.49 0.07 0.00 0.05 0.00 0.00 54.13 52.74 3gis s LEU 64 Cb 0.13 -0.08 -0.02 0.00 -2.05 0.00 0.00 46.19 44.17 3gis s LEU 64 CO 0.70 -0.78 -0.22 -0.76 -0.55 0.00 0.00 176.35 174.73 3gis s LEU 65 N -3.45 2.07 -0.33 1.48 1.43 -0.00 -4.72 118.68 115.16 3gis s LEU 65 Ca 0.33 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 3gis s LEU 65 Cb 0.06 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3gis s LEU 65 CO 0.15 0.26 0.27 -0.69 0.23 0.00 0.00 176.35 176.57 3gis s VAL 66 N -0.57 5.26 -0.25 -1.59 1.01 -0.90 -0.98 120.40 122.38 3gis s VAL 66 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3gis s VAL 66 Cb -0.09 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3gis s VAL 66 CO -0.00 0.03 0.02 -0.13 0.00 0.00 0.00 175.10 175.01 3gis s ARG 67 N 1.81 3.36 -0.03 2.72 0.52 -0.11 -0.52 118.95 126.71 3gis s ARG 67 Ca 0.08 -0.66 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 3gis s ARG 67 Cb -0.17 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 3gis s ARG 67 CO 0.11 -0.26 -0.12 0.42 0.02 0.00 0.00 175.30 175.47 3gis s ILE 68 N 1.51 3.26 0.00 1.52 1.01 -0.35 -1.27 121.20 126.88 3gis s ILE 68 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3gis s ILE 68 Cb -0.15 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.99 3gis s ILE 68 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3gis n GLY 69 N 2.03 0.58 3.87 6.18 0.00 -1.26 -0.07 105.19 116.52 3gis n GLY 69 Ca -0.17 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 3gis n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gis s LYS 70 N -1.48 3.77 0.18 1.61 1.02 -1.26 -4.19 119.74 119.39 3gis s LYS 70 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.63 3gis s LYS 70 Cb 0.00 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 3gis s LYS 70 CO 0.00 -0.23 0.00 1.58 -0.92 0.00 0.00 175.35 175.78 3gis n HIS 71 N -1.76 -1.14 -2.16 3.18 -0.00 -1.26 -4.95 115.22 107.12 3gis n HIS 71 Ca 0.04 0.20 -0.36 0.00 -0.00 0.00 0.00 57.72 57.60 3gis n HIS 71 Cb 0.54 0.28 0.01 0.00 -0.00 0.00 0.00 29.99 30.82 3gis n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3gis s SER 72 N -5.48 5.69 -0.00 0.26 0.15 -1.26 -0.98 113.70 112.07 3gis s SER 72 Ca 0.00 2.32 -0.16 0.00 0.70 0.00 0.00 55.95 58.81 3gis s SER 72 Cb 0.00 -2.60 -0.34 0.00 -1.71 0.00 0.00 66.02 61.37 3gis s SER 72 CO 0.00 -1.25 0.89 -0.09 1.20 0.00 0.00 173.24 174.00 3gis h ARG 73 N 1.41 0.47 0.00 5.44 2.43 -1.52 -3.41 114.38 119.20 3gis h ARG 73 Ca -0.50 -0.80 -0.22 0.00 -0.81 0.00 0.00 59.98 57.65 3gis h ARG 73 Cb 1.27 0.30 -0.04 0.00 -0.42 0.00 0.00 29.97 31.08 3gis h ARG 73 CO 0.57 1.38 -1.99 0.25 -1.51 0.00 0.00 179.97 178.68 3gis n THR 74 N -3.76 0.81 -2.24 0.20 -2.24 -1.26 -5.00 114.28 100.80 3gis n THR 74 Ca -0.19 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 3gis n THR 74 Cb 1.05 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3gis n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gis s ARG 75 N -2.56 4.40 -0.69 -0.78 3.52 -1.26 -4.94 118.95 116.64 3gis s ARG 75 Ca -0.07 2.04 -0.25 0.00 -0.13 0.00 0.00 55.73 57.31 3gis s ARG 75 Cb 0.06 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.30 3gis s ARG 75 CO 0.65 -0.22 1.14 -0.47 -0.81 0.00 0.00 175.30 175.59 3gis s TYR 76 N -0.02 2.46 -1.43 5.12 5.04 -1.26 -4.84 117.35 122.42 3gis s TYR 76 Ca 0.55 -0.21 -0.14 0.00 -2.44 0.00 0.00 57.07 54.84 3gis s TYR 76 Cb -0.36 -4.47 0.06 0.00 0.35 0.00 0.00 41.96 37.53 3gis s TYR 76 CO 0.39 -1.86 2.17 0.39 -1.34 0.00 0.00 175.55 175.29 3gis n GLU 77 N 8.63 2.95 -1.55 4.97 1.02 -1.26 -4.95 120.64 130.44 3gis n GLU 77 Ca 0.01 -2.73 -0.61 0.00 -0.02 0.00 0.00 57.16 53.81 3gis n GLU 77 Cb 0.48 -3.26 -0.09 0.00 -0.02 0.00 0.00 31.44 28.55 3gis n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3gis n ARG 77 N 5.96 0.00 -3.17 3.49 0.63 -1.26 -1.97 116.66 120.34 3gis n ARG 77 Ca 0.51 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.42 3gis n ARG 77 Cb 0.39 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.89 3gis n ARG 77 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3gis n ASN 78 N 2.80 -6.63 0.00 6.15 6.94 -1.26 -4.69 115.26 118.57 3gis n ASN 78 Ca 0.25 0.45 0.00 0.00 -0.02 0.00 0.00 54.58 55.26 3gis n ASN 78 Cb -0.00 -1.82 0.00 0.00 -2.36 0.00 0.00 39.78 35.60 3gis n ASN 78 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 3gis n ILE 79 N 1.21 0.00 -2.77 1.53 -6.64 -1.18 -5.10 119.36 106.41 3gis n ILE 79 Ca -0.00 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.73 3gis n ILE 79 Cb 0.47 0.00 0.01 0.00 -1.44 0.00 0.00 39.64 38.69 3gis n ILE 79 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3gis s GLU 80 N 0.00 3.14 -0.02 6.28 -1.05 -0.83 -4.71 118.70 121.50 3gis s GLU 80 Ca 0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 3gis s GLU 80 Cb 0.00 -2.44 0.03 0.00 -0.44 0.00 0.00 34.13 31.27 3gis s GLU 80 CO 0.00 -0.36 0.01 0.15 0.95 0.00 0.00 175.26 176.02 3gis s LYS 81 N -4.71 0.14 -0.12 -4.83 -0.14 0.89 -4.88 119.74 106.09 3gis s LYS 81 Ca 0.49 0.13 -0.18 0.00 -1.36 0.00 0.00 55.97 55.05 3gis s LYS 81 Cb -0.10 -0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 35.64 3gis s LYS 81 CO 0.41 -0.15 0.45 0.42 -0.76 0.00 0.00 175.35 175.73 3gis s ILE 82 N 1.03 5.20 0.04 2.17 1.01 -1.26 -1.21 121.20 128.18 3gis s ILE 82 Ca -0.10 0.90 0.08 0.00 0.00 0.00 0.00 60.65 61.53 3gis s ILE 82 Cb -0.13 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3gis s ILE 82 CO -0.02 0.34 -0.23 -0.55 0.00 0.00 0.00 174.94 174.48 3gis s SER 83 N 0.59 2.71 0.18 3.58 0.15 0.33 -4.99 113.70 116.24 3gis s SER 83 Ca 0.25 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.33 3gis s SER 83 Cb -0.15 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 3gis s SER 83 CO 0.09 0.20 0.40 -0.04 1.20 0.00 0.00 173.24 175.09 3gis s MET 84 N -1.15 3.57 -0.05 5.44 -1.94 -1.26 -2.12 119.30 121.79 3gis s MET 84 Ca 0.09 -0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 53.69 3gis s MET 84 Cb -0.09 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 3gis s MET 84 CO 0.02 0.41 0.47 -0.51 -0.01 0.00 0.00 175.02 175.40 3gis s LEU 85 N -3.05 4.39 -0.16 -0.03 1.43 -1.26 -1.81 118.68 118.19 3gis s LEU 85 Ca 0.40 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 3gis s LEU 85 Cb -0.11 -2.69 -0.23 0.00 0.03 0.00 0.00 46.19 43.18 3gis s LEU 85 CO 0.27 0.16 0.24 1.21 0.23 0.00 0.00 176.35 178.46 3gis n GLU 86 N 2.72 0.71 -3.64 1.70 2.13 -0.39 -4.70 120.64 119.18 3gis n GLU 86 Ca -0.10 0.30 -0.10 0.00 0.66 0.00 0.00 57.16 57.92 3gis n GLU 86 Cb 0.52 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.47 3gis n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3gis s LYS 87 N -2.52 0.75 -0.06 5.31 2.47 -1.21 -4.97 119.74 119.50 3gis s LYS 87 Ca -0.26 1.12 -0.12 0.00 -1.56 0.00 0.00 55.97 55.16 3gis s LYS 87 Cb 0.07 0.24 -0.05 0.00 -1.46 0.00 0.00 37.83 36.63 3gis s LYS 87 CO 0.71 -0.13 0.31 0.42 0.16 0.00 0.00 175.35 176.82 3gis s ILE 88 N 1.15 5.22 -0.27 5.43 1.01 -1.26 -1.90 121.20 130.58 3gis s ILE 88 Ca -0.06 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.20 3gis s ILE 88 Cb -0.05 -3.60 0.07 0.00 0.01 0.00 0.00 42.46 38.89 3gis s ILE 88 CO -0.12 0.56 -0.02 -0.31 0.00 0.00 0.00 174.94 175.05 3gis s TYR 89 N -0.82 2.68 -0.09 3.97 2.02 0.17 -4.99 117.35 120.29 3gis s TYR 89 Ca 0.20 -2.06 -0.13 0.00 -0.37 0.00 0.00 57.07 54.72 3gis s TYR 89 Cb -0.15 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 3gis s TYR 89 CO 0.09 -0.83 0.30 0.42 -1.57 0.00 0.00 175.55 173.96 3gis s ILE 90 N 1.29 5.25 0.13 2.71 1.01 -1.26 -0.24 121.20 130.09 3gis s ILE 90 Ca -0.01 0.59 -0.35 0.00 0.00 0.00 0.00 60.65 60.87 3gis s ILE 90 Cb -0.19 -3.61 -0.15 0.00 0.01 0.00 0.00 42.46 38.52 3gis s ILE 90 CO -0.09 0.52 1.43 1.57 0.00 0.00 0.00 174.94 178.38 3gis n HIS 91 N 2.51 1.86 0.06 3.97 -0.00 -1.10 -4.84 115.22 117.67 3gis n HIS 91 Ca -0.15 0.47 0.05 0.00 -0.00 0.00 0.00 57.72 58.10 3gis n HIS 91 Cb 0.53 -2.43 0.48 0.00 -0.00 0.00 0.00 29.99 28.57 3gis n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3gis h PRO 92 N 5.05 0.40 -0.81 1.57 0.13 -1.95 -2.30 132.00 134.10 3gis h PRO 92 Ca -0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3gis h PRO 92 Cb 1.30 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gis h PRO 92 CO 0.82 0.27 0.01 0.54 -0.23 0.00 0.00 178.00 179.40 3gis n ARG 93 N -4.49 2.76 -3.68 0.86 1.74 -1.26 -4.84 116.66 107.75 3gis n ARG 93 Ca 0.02 -1.44 -0.35 0.00 -0.77 0.00 0.00 57.85 55.30 3gis n ARG 93 Cb 0.09 -1.85 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 3gis n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3gis s TYR 94 N -1.80 3.41 -0.16 -1.55 5.04 -0.87 -4.83 117.35 116.59 3gis s TYR 94 Ca 0.25 0.36 -0.04 0.00 -2.44 0.00 0.00 57.07 55.20 3gis s TYR 94 Cb 0.19 -2.21 0.07 0.00 0.35 0.00 0.00 41.96 40.36 3gis s TYR 94 CO 0.07 0.25 0.14 1.21 -1.34 0.00 0.00 175.55 175.88 3gis s ASN 95 N 0.47 1.66 0.39 4.32 3.84 -1.26 -4.98 114.94 119.38 3gis s ASN 95 Ca 0.09 -0.27 0.12 0.00 0.21 0.00 0.00 52.86 53.02 3gis s ASN 95 Cb -0.12 0.06 0.79 0.00 -0.55 0.00 0.00 41.25 41.43 3gis s ASN 95 CO -0.00 -0.32 1.88 4.11 -2.79 0.00 0.00 177.10 179.98 3gis h TRP 96 N 8.38 0.07 -0.00 0.43 5.08 -1.88 -2.58 115.95 125.44 3gis h TRP 96 Ca -0.15 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.81 3gis h TRP 96 Cb 1.14 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3gis h TRP 96 CO 0.22 0.34 0.00 0.00 -1.28 0.00 0.00 178.44 177.72 3gis h ARG 97 N 0.06 0.00 0.00 0.12 3.08 -1.97 -3.34 114.38 112.33 3gis h ARG 97 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gis h ARG 97 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3gis h ARG 97 CO 0.04 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 3gis n GLU 97 N -3.59 0.00 -2.20 0.04 1.02 -1.00 -5.13 120.64 109.77 3gis n GLU 97 Ca -0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.07 3gis n GLU 97 Cb 0.08 -0.40 -0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3gis n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3gis n ASN 98 N -2.40 -0.56 -2.09 1.62 2.04 -1.03 -5.05 115.26 107.78 3gis n ASN 98 Ca 0.00 -1.59 -0.16 0.00 -0.44 0.00 0.00 54.58 52.40 3gis n ASN 98 Cb 0.00 0.99 0.24 0.00 -2.53 0.00 0.00 39.78 38.47 3gis n ASN 98 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3gis n LEU 99 N 0.00 6.38 -4.78 -4.53 4.32 -1.26 -4.14 117.00 112.99 3gis n LEU 99 Ca -0.01 -3.45 -0.35 0.00 -0.02 0.00 0.00 56.01 52.18 3gis n LEU 99 Cb 0.19 -0.79 -0.00 0.00 -1.62 0.00 0.00 43.42 41.20 3gis n LEU 99 CO 0.09 0.96 0.76 -0.62 -1.22 0.00 0.00 177.39 177.36 3gis s ASP 100 N -1.24 5.79 -1.50 -1.43 2.15 -1.26 -3.25 116.67 115.94 3gis s ASP 100 Ca 0.56 2.10 -0.09 0.00 0.43 0.00 0.00 52.55 55.55 3gis s ASP 100 Cb 0.46 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 40.57 3gis s ASP 100 CO 0.12 -1.17 0.75 0.54 -0.17 0.00 0.00 175.17 175.24 3gis n ARG 101 N -1.36 -4.36 -2.37 4.34 1.74 -1.26 -4.61 116.66 108.77 3gis n ARG 101 Ca 0.11 0.51 -0.38 0.00 -0.77 0.00 0.00 57.85 57.32 3gis n ARG 101 Cb 0.51 -5.12 -0.02 0.00 -1.02 0.00 0.00 32.46 26.81 3gis n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gis n ASP 102 N -2.87 4.23 -3.76 0.55 2.03 -1.20 -4.64 116.55 110.89 3gis n ASP 102 Ca -0.10 -2.84 -0.13 0.00 0.52 0.00 0.00 54.79 52.24 3gis n ASP 102 Cb 0.58 -1.74 -0.09 0.00 -0.72 0.00 0.00 41.12 39.16 3gis n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3gis s ILE 103 N 6.71 0.06 -0.04 5.18 2.07 -1.26 -3.83 121.20 130.09 3gis s ILE 103 Ca 0.59 -0.46 -0.26 0.00 -1.41 0.00 0.00 60.65 59.11 3gis s ILE 103 Cb 0.03 -0.61 0.06 0.00 0.13 0.00 0.00 42.46 42.06 3gis s ILE 103 CO 0.10 -0.25 0.57 0.00 -1.91 0.00 0.00 174.94 173.45 3gis s ALA 104 N -1.29 -1.49 0.02 1.50 0.00 -0.34 -2.71 121.76 117.45 3gis s ALA 104 Ca -0.13 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.91 3gis s ALA 104 Cb -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3gis s ALA 104 CO 0.04 -0.34 -0.14 -0.51 0.00 0.00 0.00 175.76 174.81 3gis s LEU 105 N -1.25 2.81 -0.11 0.00 1.43 0.66 -1.71 118.68 120.50 3gis s LEU 105 Ca -0.12 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3gis s LEU 105 Cb -0.01 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.60 3gis s LEU 105 CO 0.08 0.28 -0.11 -0.04 0.23 0.00 0.00 176.35 176.79 3gis s MET 106 N -1.33 1.85 -0.07 1.70 -1.94 0.02 0.46 119.30 120.00 3gis s MET 106 Ca 0.15 -0.40 -0.13 0.00 -1.71 0.00 0.00 55.69 53.60 3gis s MET 106 Cb -0.11 -1.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.94 3gis s MET 106 CO 0.05 -0.19 0.32 0.21 -0.01 0.00 0.00 175.02 175.41 3gis s LYS 107 N 1.40 3.92 0.18 2.03 2.20 -0.80 -0.68 119.74 127.99 3gis s LYS 107 Ca 0.01 0.21 -0.16 0.00 -0.36 0.00 0.00 55.97 55.67 3gis s LYS 107 Cb -0.13 -3.28 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 3gis s LYS 107 CO -0.06 0.57 0.61 -0.51 -0.36 0.00 0.00 175.35 175.60 3gis s LEU 108 N -0.59 4.32 0.16 5.43 1.43 0.68 -1.26 118.68 128.85 3gis s LEU 108 Ca 0.20 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.32 3gis s LEU 108 Cb -0.15 -3.42 0.08 0.00 0.03 0.00 0.00 46.19 42.73 3gis s LEU 108 CO 0.09 0.06 1.72 0.11 0.23 0.00 0.00 176.35 178.56 3gis h LYS 109 N 3.40 0.15 -5.50 1.70 1.57 -1.64 -3.43 116.57 112.83 3gis h LYS 109 Ca -0.48 -0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 57.81 3gis h LYS 109 Cb 1.19 -0.03 -0.26 0.00 0.08 0.00 0.00 32.23 33.21 3gis h LYS 109 CO 0.66 0.10 -0.81 0.15 -0.57 0.00 0.00 179.45 178.98 3gis s LYS 110 N -6.17 1.08 0.37 3.15 -0.14 -1.26 -4.99 119.74 111.77 3gis s LYS 110 Ca -0.13 -0.76 -0.28 0.00 -1.36 0.00 0.00 55.97 53.43 3gis s LYS 110 Cb 0.13 -1.10 -0.11 0.00 -1.68 0.00 0.00 37.83 35.06 3gis s LYS 110 CO 0.71 0.28 1.50 -1.25 -0.76 0.00 0.00 175.35 175.83 3gis s PRO 111 N -1.02 4.11 0.21 -1.68 0.04 -1.26 -4.87 135.00 130.52 3gis s PRO 111 Ca 0.04 2.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.50 3gis s PRO 111 Cb -0.08 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 3gis s PRO 111 CO 0.01 -0.55 0.62 0.54 0.04 0.00 0.00 177.00 177.67 3gis s VAL 112 N -0.97 4.77 0.08 -0.36 0.11 0.68 -5.00 120.40 119.71 3gis s VAL 112 Ca 0.54 0.91 -0.27 0.00 -2.93 0.00 0.00 61.98 60.23 3gis s VAL 112 Cb -0.47 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 30.60 3gis s VAL 112 CO 0.61 0.11 0.85 0.00 -3.33 0.00 0.00 175.10 173.35 3gis s ALA 113 N -1.62 3.32 0.70 1.54 0.00 -1.26 -4.80 121.76 119.64 3gis s ALA 113 Ca 0.43 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 3gis s ALA 113 Cb -0.14 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3gis s ALA 113 CO 0.20 0.04 1.08 -0.06 0.00 0.00 0.00 175.76 177.01 3gis s PHE 114 N -0.08 3.33 0.00 0.00 0.08 -1.26 -4.88 117.98 115.18 3gis s PHE 114 Ca 0.42 1.13 -0.00 0.00 0.12 0.00 0.00 56.93 58.59 3gis s PHE 114 Cb -0.22 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 3gis s PHE 114 CO 0.26 -1.14 0.02 -1.13 -0.10 0.00 0.00 175.22 173.13 3gis n SER 115 N -3.00 -0.04 0.32 1.36 3.41 -0.29 -4.91 113.62 110.47 3gis n SER 115 Ca 0.07 -1.02 0.20 0.00 -0.26 0.00 0.00 58.87 57.86 3gis n SER 115 Cb 0.56 0.06 1.03 0.00 -0.26 0.00 0.00 64.21 65.60 3gis n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gis h ASP 116 N 0.04 0.00 0.00 4.04 3.32 -1.98 -3.02 116.42 118.82 3gis h ASP 116 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gis h ASP 116 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3gis h ASP 116 CO 0.01 0.01 -0.55 -1.22 -1.72 0.00 0.00 179.24 175.77 3gis n TYR 117 N -3.14 0.00 -3.94 4.55 4.01 -1.26 -4.73 117.16 112.65 3gis n TYR 117 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 3gis n TYR 117 Cb 0.15 -0.03 -0.15 0.00 -0.31 0.00 0.00 39.34 39.00 3gis n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gis s ILE 118 N -1.91 1.60 -0.16 -0.72 1.01 -1.14 -4.20 121.20 115.68 3gis s ILE 118 Ca 0.02 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 3gis s ILE 118 Cb 0.06 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.67 3gis s ILE 118 CO 0.35 -0.18 0.42 -2.28 0.00 0.00 0.00 174.94 173.25 3gis s HIS 119 N 1.34 -0.48 0.53 3.97 2.46 -0.75 -1.14 115.29 121.23 3gis s HIS 119 Ca -0.04 1.15 -0.18 0.00 0.47 0.00 0.00 55.06 56.46 3gis s HIS 119 Cb -0.19 0.17 -0.06 0.00 -0.13 0.00 0.00 32.58 32.37 3gis s HIS 119 CO -0.07 -0.24 1.06 -1.25 -2.47 0.00 0.00 174.74 171.76 3gis s PRO 120 N 0.41 3.56 0.37 2.88 0.04 -1.26 -2.17 135.00 138.82 3gis s PRO 120 Ca -0.02 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.40 3gis s PRO 120 Cb -0.04 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3gis s PRO 120 CO -0.02 -0.63 0.54 0.54 0.04 0.00 0.00 177.00 177.47 3gis s VAL 121 N -2.14 4.07 0.26 -0.36 0.11 -0.39 -4.90 120.40 117.05 3gis s VAL 121 Ca 0.67 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 3gis s VAL 121 Cb -0.17 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 3gis s VAL 121 CO 0.27 -0.22 0.49 0.00 -3.33 0.00 0.00 175.10 172.31 3gis s LEU 123 N -3.57 3.53 0.52 0.00 1.43 -1.26 -0.44 118.68 118.89 3gis s LEU 123 Ca 0.41 0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 3gis s LEU 123 Cb -0.11 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3gis s LEU 123 CO 0.30 0.22 1.39 -2.16 0.23 0.00 0.00 176.35 176.34 3gis s PRO 124 N 0.05 3.26 0.43 1.29 0.04 -1.26 -4.95 135.00 133.85 3gis s PRO 124 Ca 0.03 2.31 0.07 0.00 0.04 0.00 0.00 61.00 63.45 3gis s PRO 124 Cb -0.13 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.06 3gis s PRO 124 CO 0.02 -1.12 0.59 0.16 0.04 0.00 0.00 177.00 176.68 3gis s ASP 125 N -0.80 5.66 0.18 6.66 1.47 -1.26 -4.91 116.67 123.67 3gis s ASP 125 Ca 0.69 -0.30 -0.22 0.00 1.18 0.00 0.00 52.55 53.90 3gis s ASP 125 Cb -0.42 -0.81 0.10 0.00 -0.34 0.00 0.00 42.92 41.45 3gis s ASP 125 CO 0.51 -0.76 1.58 -0.09 0.68 0.00 0.00 175.17 177.09 3gis h ARG 126 N 0.59 -0.16 0.48 2.11 9.65 -1.99 -2.80 114.38 122.26 3gis h ARG 126 Ca -0.41 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.45 3gis h ARG 126 Cb 1.28 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 3gis h ARG 126 CO 0.48 -0.11 -0.23 0.93 2.80 0.00 0.00 179.97 183.84 3gis h GLU 127 N -0.17 -0.62 -0.42 0.20 3.07 -2.04 -1.30 114.58 113.30 3gis h GLU 127 Ca 0.22 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3gis h GLU 127 Cb 0.56 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3gis h GLU 127 CO -0.71 -0.42 0.00 2.41 -1.40 0.00 0.00 179.01 178.89 3gis n THR 128 N -5.37 0.00 0.00 1.13 -1.04 -1.06 -0.11 114.28 107.83 3gis n THR 128 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3gis n THR 128 Cb 0.27 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3gis n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gis n ALA 129 N 0.47 0.00 0.04 2.41 0.00 -0.49 -0.50 120.51 122.44 3gis n ALA 129 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3gis n ALA 129 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3gis n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gis h SER 129 N 0.00 0.12 0.09 0.00 0.87 -0.77 -3.40 113.55 110.47 3gis h SER 129 Ca 0.00 -0.16 -0.36 0.00 -1.23 0.00 0.00 61.79 60.04 3gis h SER 129 Cb 0.00 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 3gis h SER 129 CO 0.00 1.14 -2.27 0.18 -0.53 0.00 0.00 176.83 175.34 3gis n LEU 129 N -3.31 0.89 -4.23 2.23 4.32 0.34 -4.72 117.00 112.54 3gis n LEU 129 Ca -0.09 0.05 -0.43 0.00 -0.02 0.00 0.00 56.01 55.52 3gis n LEU 129 Cb 1.00 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.87 3gis n LEU 129 CO 0.48 0.59 2.12 -0.11 -1.22 0.00 0.00 177.39 179.24 3gis n LEU 130 N -2.94 5.75 -4.06 2.23 7.94 -1.26 -4.84 117.00 119.82 3gis n LEU 130 Ca -0.33 -4.14 -0.14 0.00 -1.11 0.00 0.00 56.01 50.29 3gis n LEU 130 Cb 1.10 -1.68 -0.12 0.00 0.53 0.00 0.00 43.42 43.26 3gis n LEU 130 CO 0.40 0.65 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.82 3gis s GLN 131 N 3.14 0.56 0.21 1.96 -0.21 -1.26 -4.93 119.66 119.13 3gis s GLN 131 Ca 0.49 -0.69 -0.32 0.00 0.02 0.00 0.00 55.36 54.86 3gis s GLN 131 Cb 0.07 -0.39 -0.15 0.00 1.00 0.00 0.00 33.01 33.54 3gis s GLN 131 CO 0.01 0.08 1.20 0.00 -2.12 0.00 0.00 175.29 174.46 3gis n ALA 132 N 1.70 -0.22 0.00 6.09 0.00 -1.26 -1.97 120.51 124.84 3gis n ALA 132 Ca -0.21 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3gis n ALA 132 Cb 0.55 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3gis n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gis n GLY 133 N 1.93 2.74 3.76 0.00 0.00 0.12 -4.92 105.19 108.81 3gis n GLY 133 Ca 0.13 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3gis n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gis s TYR 134 N -1.53 2.92 -0.04 1.61 1.51 -0.83 -4.50 117.35 116.49 3gis s TYR 134 Ca 0.00 1.21 -0.05 0.00 -1.01 0.00 0.00 57.07 57.21 3gis s TYR 134 Cb 0.00 -3.82 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 3gis s TYR 134 CO 0.00 -2.45 0.20 0.15 -1.11 0.00 0.00 175.55 172.34 3gis s LYS 135 N -1.35 3.49 0.48 -0.62 1.02 -1.26 -0.25 119.74 121.25 3gis s LYS 135 Ca 0.54 -0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.38 3gis s LYS 135 Cb -0.42 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3gis s LYS 135 CO 0.52 0.70 0.04 0.20 -0.92 0.00 0.00 175.35 175.89 3gis s GLY 136 N -1.57 2.81 -0.04 -3.33 0.00 0.92 -4.80 107.32 101.31 3gis s GLY 136 Ca 0.23 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.99 3gis s GLY 136 CO 0.13 -2.14 -0.20 -1.60 0.00 0.00 0.00 173.10 169.29 3gis s ARG 137 N -3.87 2.01 0.02 2.90 3.52 0.23 -0.83 118.95 122.94 3gis s ARG 137 Ca 0.17 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 55.13 3gis s ARG 137 Cb 0.04 -1.75 -0.03 0.00 -1.56 0.00 0.00 34.95 31.65 3gis s ARG 137 CO 0.09 0.31 -0.24 0.08 -0.81 0.00 0.00 175.30 174.73 3gis s VAL 138 N -0.08 2.33 0.07 7.11 1.01 -0.03 -0.87 120.40 129.94 3gis s VAL 138 Ca -0.03 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.75 3gis s VAL 138 Cb -0.12 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3gis s VAL 138 CO 0.02 0.43 -0.06 0.42 0.00 0.00 0.00 175.10 175.92 3gis s THR 139 N -0.77 0.52 0.00 3.92 -4.23 -1.25 -1.68 115.64 112.14 3gis s THR 139 Ca 0.12 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3gis s THR 139 Cb -0.10 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.57 3gis s THR 139 CO 0.02 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 3gis n GLY 140 N 0.63 -0.09 0.52 3.99 0.00 -0.81 -4.61 105.19 104.81 3gis n GLY 140 Ca -0.17 -1.14 0.08 0.00 0.00 0.00 0.00 46.02 44.79 3gis n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gis n TRP 141 N -0.64 0.49 -0.54 1.61 8.01 -1.26 -1.21 117.44 123.90 3gis n TRP 141 Ca 0.00 -0.82 -0.23 0.00 -1.31 0.00 0.00 57.50 55.14 3gis n TRP 141 Cb 0.00 -0.19 0.21 0.00 -2.01 0.00 0.00 31.31 29.32 3gis n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3gis n GLY 142 N -0.63 -3.32 3.70 6.99 0.00 -1.26 -4.43 105.19 106.24 3gis n GLY 142 Ca 0.16 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 3gis n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gis n ASN 143 N -4.82 1.56 0.16 1.61 3.02 0.20 -3.60 115.26 113.38 3gis n ASN 143 Ca 0.11 0.76 0.12 0.00 -0.03 0.00 0.00 54.58 55.54 3gis n ASN 143 Cb 0.46 -1.52 0.12 0.00 -0.61 0.00 0.00 39.78 38.23 3gis n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gis h LEU 144 N 0.12 0.00 -7.62 3.41 3.38 0.98 -1.94 115.31 113.64 3gis h LEU 144 Ca -0.49 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 3gis h LEU 144 Cb 1.33 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.95 3gis h LEU 144 CO 0.51 0.01 -0.23 -0.54 0.09 0.00 0.00 178.44 178.27 3gis s LYS 145 N -3.26 0.95 0.40 1.13 1.02 -1.26 -4.23 119.74 114.49 3gis s LYS 145 Ca 0.04 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.94 3gis s LYS 145 Cb 0.08 0.40 -0.08 0.00 -0.52 0.00 0.00 37.83 37.70 3gis s LYS 145 CO 0.71 -0.34 1.15 -2.00 -0.92 0.00 0.00 175.35 173.96 3gis s GLU 146 N -3.83 4.08 0.00 1.68 2.12 -1.26 -4.94 118.70 116.55 3gis s GLU 146 Ca 0.04 1.79 0.00 0.00 0.36 0.00 0.00 54.97 57.16 3gis s GLU 146 Cb 0.03 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.76 3gis s GLU 146 CO -0.11 -0.28 0.00 0.25 -0.54 0.00 0.00 175.26 174.57 3gis n THR 147 N 0.07 0.00 -0.81 -1.70 -2.24 -1.26 -5.03 114.28 103.31 3gis n THR 147 Ca 0.04 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.83 3gis n THR 147 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3gis n THR 147 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3gis n LYS 149 N 0.00 -0.43 -0.71 -0.78 0.00 -1.26 -5.20 118.16 109.78 3gis n LYS 149 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.65 3gis n LYS 149 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 35.03 34.13 3gis n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gis n GLY 150 N -2.68 0.63 3.90 3.14 0.00 -1.26 -4.94 105.19 103.97 3gis n GLY 150 Ca -0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3gis n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gis s GLN 151 N -0.55 3.51 0.64 1.61 0.00 -1.26 0.14 119.66 123.73 3gis s GLN 151 Ca 0.00 -0.24 -0.12 0.00 -0.00 0.00 0.00 55.36 54.99 3gis s GLN 151 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 33.01 29.94 3gis s GLN 151 CO 0.00 0.62 1.04 -1.25 0.00 0.00 0.00 175.29 175.71 3gis s PRO 152 N -2.11 3.28 -0.01 9.60 0.04 -1.26 -4.90 135.00 139.64 3gis s PRO 152 Ca 0.31 0.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 3gis s PRO 152 Cb -0.13 -2.04 -0.31 0.00 0.04 0.00 0.00 34.50 32.06 3gis s PRO 152 CO 0.21 -0.82 0.84 1.03 0.04 0.00 0.00 177.00 178.30 3gis h SER 153 N -0.21 0.62 -3.08 6.66 0.87 -1.97 -3.43 113.55 113.01 3gis h SER 153 Ca -0.45 -0.80 -0.50 0.00 -1.23 0.00 0.00 61.79 58.81 3gis h SER 153 Cb 1.20 -0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 62.83 3gis h SER 153 CO 0.59 1.66 -0.59 0.68 -0.53 0.00 0.00 176.83 178.63 3gis s VAL 154 N -2.60 1.12 0.22 2.23 -7.23 -1.26 -1.42 120.40 111.46 3gis s VAL 154 Ca -0.11 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.74 3gis s VAL 154 Cb 0.05 -2.71 -0.14 0.00 0.56 0.00 0.00 36.38 34.14 3gis s VAL 154 CO 0.88 0.00 1.34 -0.11 -0.31 0.00 0.00 175.10 176.90 3gis n LEU 155 N -0.75 2.63 -4.76 1.32 7.94 -0.16 -4.84 117.00 118.39 3gis n LEU 155 Ca -0.03 1.14 -0.33 0.00 -1.11 0.00 0.00 56.01 55.68 3gis n LEU 155 Cb 0.66 -1.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.18 3gis n LEU 155 CO 0.41 -0.72 -0.27 -1.10 -1.11 0.00 0.00 177.39 174.60 3gis s GLN 156 N -0.34 2.99 0.06 1.96 -1.52 -0.35 -1.19 119.66 121.27 3gis s GLN 156 Ca 0.70 -0.52 0.04 0.00 -1.95 0.00 0.00 55.36 53.63 3gis s GLN 156 Cb -0.71 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.24 3gis s GLN 156 CO 0.50 0.64 -0.12 0.54 -0.25 0.00 0.00 175.29 176.60 3gis s VAL 157 N -1.17 0.93 -0.27 1.09 0.11 0.63 -1.93 120.40 119.79 3gis s VAL 157 Ca 0.22 -1.26 -0.24 0.00 -2.93 0.00 0.00 61.98 57.78 3gis s VAL 157 Cb -0.12 -0.94 0.07 0.00 -1.53 0.00 0.00 36.38 33.86 3gis s VAL 157 CO 0.13 -0.29 0.71 0.54 -3.33 0.00 0.00 175.10 172.85 3gis s VAL 158 N -1.37 -0.00 -0.18 2.04 0.11 -0.68 -1.07 120.40 119.25 3gis s VAL 158 Ca -0.04 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 3gis s VAL 158 Cb -0.10 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 3gis s VAL 158 CO 0.02 0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.11 3gis s ASN 159 N 0.51 6.17 0.02 3.54 0.01 -1.26 -0.85 114.94 123.08 3gis s ASN 159 Ca -0.01 0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.43 3gis s ASN 159 Cb -0.05 -2.06 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 3gis s ASN 159 CO -0.01 0.23 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.97 3gis s LEU 160 N 0.05 2.13 0.18 0.60 1.43 -0.01 -4.95 118.68 118.11 3gis s LEU 160 Ca 0.09 -0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 3gis s LEU 160 Cb -0.11 -0.31 -0.08 0.00 0.03 0.00 0.00 46.19 45.71 3gis s LEU 160 CO -0.00 -0.04 0.78 -2.16 0.23 0.00 0.00 176.35 175.16 3gis s PRO 161 N -0.87 4.54 0.35 1.29 0.04 -1.26 -0.06 135.00 139.03 3gis s PRO 161 Ca -0.02 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 3gis s PRO 161 Cb -0.06 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 3gis s PRO 161 CO 0.00 0.54 1.19 0.42 0.04 0.00 0.00 177.00 179.19 3gis s ILE 162 N -1.21 3.11 -0.01 0.56 1.01 0.66 -0.47 121.20 124.84 3gis s ILE 162 Ca 0.37 1.03 0.01 0.00 0.00 0.00 0.00 60.65 62.06 3gis s ILE 162 Cb -0.22 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3gis s ILE 162 CO 0.26 0.18 0.00 -0.69 0.00 0.00 0.00 174.94 174.69 3gis s VAL 163 N -1.27 4.19 0.39 2.92 1.01 -0.36 0.13 120.40 127.42 3gis s VAL 163 Ca 0.51 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 3gis s VAL 163 Cb -0.34 -2.86 -0.11 0.00 0.00 0.00 0.00 36.38 33.08 3gis s VAL 163 CO 0.44 0.40 1.49 -1.83 0.00 0.00 0.00 175.10 175.59 3gis s GLU 164 N -1.50 4.02 0.16 2.72 1.03 -1.26 -4.63 118.70 119.23 3gis s GLU 164 Ca 0.19 2.57 -0.22 0.00 0.03 0.00 0.00 54.97 57.55 3gis s GLU 164 Cb -0.12 -2.91 0.06 0.00 -0.80 0.00 0.00 34.13 30.37 3gis s GLU 164 CO 0.10 -0.61 1.62 0.00 -1.33 0.00 0.00 175.26 175.04 3gis h ARG 165 N 2.85 -0.21 -0.80 -4.83 3.08 -1.98 -1.55 114.38 110.94 3gis h ARG 165 Ca -0.51 0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.69 3gis h ARG 165 Cb 1.24 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 3gis h ARG 165 CO 0.63 -0.14 0.53 -1.00 -1.07 0.00 0.00 179.97 178.92 3gis h PRO 166 N -0.22 0.54 -0.04 0.04 0.13 -1.99 0.12 132.00 130.58 3gis h PRO 166 Ca 0.16 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 3gis h PRO 166 Cb 0.47 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3gis h PRO 166 CO -0.45 0.36 -0.65 0.28 -0.23 0.00 0.00 178.00 177.30 3gis h VAL 167 N 0.55 1.42 -0.24 1.56 2.07 -1.70 -1.84 116.25 118.08 3gis h VAL 167 Ca 0.39 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 3gis h VAL 167 Cb 0.73 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3gis h VAL 167 CO -0.15 0.62 -0.03 0.00 0.02 0.00 0.00 177.57 178.03 3gis h LYS 169 N 0.19 0.63 0.00 0.00 3.64 -0.83 -2.55 116.57 117.65 3gis h LYS 169 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gis h LYS 169 Cb 0.46 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3gis h LYS 169 CO 0.02 0.42 0.00 -0.44 -2.27 0.00 0.00 179.45 177.17 3gis h ASP 170 N 0.65 0.00 1.36 4.20 3.32 -1.27 -3.00 116.42 121.68 3gis h ASP 170 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3gis h ASP 170 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3gis h ASP 170 CO -0.06 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.23 3gis h SER 171 N 0.00 0.00 -5.16 6.45 4.64 -0.99 -3.45 113.55 115.03 3gis h SER 171 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3gis h SER 171 Cb 0.51 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.44 3gis h SER 171 CO 0.00 0.00 -0.56 0.28 -0.87 0.00 0.00 176.83 175.68 3gis s THR 172 N -3.42 0.17 -0.84 2.95 -1.32 -1.13 -4.82 115.64 107.23 3gis s THR 172 Ca 0.04 -1.40 0.22 0.00 -1.21 0.00 0.00 61.69 59.34 3gis s THR 172 Cb 0.08 -1.23 -0.21 0.00 -1.51 0.00 0.00 72.50 69.63 3gis s THR 172 CO 0.57 -0.78 0.90 0.54 -2.21 0.00 0.00 174.62 173.65 3gis n ARG 173 N 0.34 0.11 -2.00 7.08 1.74 -1.26 -4.86 116.66 117.81 3gis n ARG 173 Ca -0.16 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 3gis n ARG 173 Cb 0.60 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 3gis n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gis s ILE 174 N -3.08 2.79 0.25 0.55 1.01 -1.26 -4.91 121.20 116.55 3gis s ILE 174 Ca 0.06 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.98 3gis s ILE 174 Cb 0.16 -3.37 -0.11 0.00 0.01 0.00 0.00 42.46 39.15 3gis s ILE 174 CO 0.85 0.05 1.58 -0.60 0.00 0.00 0.00 174.94 176.83 3gis s ARG 175 N 0.99 4.16 -0.08 2.79 3.52 -1.26 -5.01 118.95 124.07 3gis s ARG 175 Ca 0.68 2.50 0.03 0.00 -0.13 0.00 0.00 55.73 58.81 3gis s ARG 175 Cb -0.42 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3gis s ARG 175 CO 0.32 -0.61 -0.16 0.42 -0.81 0.00 0.00 175.30 174.46 3gis s ILE 176 N 0.34 2.83 0.56 4.11 1.01 -1.26 -5.03 121.20 123.76 3gis s ILE 176 Ca 0.65 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.60 3gis s ILE 176 Cb -0.46 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 39.95 3gis s ILE 176 CO 0.42 0.56 0.59 0.42 0.00 0.00 0.00 174.94 176.94 3gis s THR 177 N -0.26 1.86 -1.07 2.92 -4.23 -1.26 -5.01 115.64 108.59 3gis s THR 177 Ca 0.01 -1.26 0.27 0.00 -1.18 0.00 0.00 61.69 59.53 3gis s THR 177 Cb -0.13 -2.12 0.27 0.00 1.34 0.00 0.00 72.50 71.86 3gis s THR 177 CO 0.03 0.00 1.89 0.47 -0.54 0.00 0.00 174.62 176.47 3gis n ASP 178 N -2.00 0.00 -1.09 3.99 8.00 -1.26 -3.01 116.55 121.19 3gis n ASP 178 Ca 0.06 0.40 0.04 0.00 0.71 0.00 0.00 54.79 56.00 3gis n ASP 178 Cb 0.63 -0.46 0.19 0.00 -0.02 0.00 0.00 41.12 41.46 3gis n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gis n ASN 179 N -1.46 3.07 -3.82 -2.24 3.02 -1.26 -4.82 115.26 107.74 3gis n ASN 179 Ca 0.08 -2.36 -0.10 0.00 -0.03 0.00 0.00 54.58 52.16 3gis n ASN 179 Cb 0.30 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 3gis n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gis s MET 180 N -1.80 0.74 0.14 3.52 0.23 -1.16 -0.37 119.30 120.60 3gis s MET 180 Ca 0.27 -0.64 -0.03 0.00 -1.03 0.00 0.00 55.69 54.26 3gis s MET 180 Cb 0.19 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.77 3gis s MET 180 CO 0.10 -0.22 0.10 -0.59 -2.03 0.00 0.00 175.02 172.38 3gis s PHE 181 N -2.72 0.77 0.12 3.16 -0.12 -0.30 -4.80 117.98 114.09 3gis s PHE 181 Ca -0.04 -1.14 0.08 0.00 -0.05 0.00 0.00 56.93 55.78 3gis s PHE 181 Cb -0.00 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 3gis s PHE 181 CO -0.05 -0.56 -0.18 0.00 -0.05 0.00 0.00 175.22 174.38 3gis s ALA 183 N -1.54 0.57 0.00 0.00 0.00 -0.88 -1.22 121.76 118.69 3gis s ALA 183 Ca 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3gis s ALA 183 Cb -0.08 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3gis s ALA 183 CO 0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3gis n GLY 184 N 0.36 3.35 3.86 0.00 0.00 0.38 -2.18 105.19 110.96 3gis n GLY 184 Ca -0.15 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 3gis n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gis s TYR 184 N -2.00 3.51 0.29 1.61 2.02 -1.26 -4.43 117.35 117.09 3gis s TYR 184 Ca 0.00 0.94 -0.11 0.00 -0.37 0.00 0.00 57.07 57.53 3gis s TYR 184 Cb 0.00 -2.30 -0.08 0.00 -0.40 0.00 0.00 41.96 39.19 3gis s TYR 184 CO 0.00 0.36 0.64 0.21 -1.57 0.00 0.00 175.55 175.19 3gis s LYS 185 N -2.38 3.86 0.28 -0.62 2.20 -1.26 -4.80 119.74 117.03 3gis s LYS 185 Ca 0.42 0.43 0.01 0.00 -0.36 0.00 0.00 55.97 56.46 3gis s LYS 185 Cb -0.13 -2.54 0.68 0.00 -1.51 0.00 0.00 37.83 34.33 3gis s LYS 185 CO 0.20 0.21 1.64 -1.35 -0.36 0.00 0.00 175.35 175.69 3gis h PRO 186 N 2.24 0.17 0.00 4.03 0.11 -1.97 -1.11 132.00 135.47 3gis h PRO 186 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gis h PRO 186 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gis h PRO 186 CO 0.67 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 3gis n ASP 186 N -5.26 0.42 0.08 -2.05 5.68 -1.26 -2.54 116.55 111.61 3gis n ASP 186 Ca 0.20 0.62 0.11 0.00 -0.50 0.00 0.00 54.79 55.22 3gis n ASP 186 Cb 0.66 -0.70 0.44 0.00 -1.14 0.00 0.00 41.12 40.38 3gis n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gis n GLU 186 N -1.98 0.14 -0.90 0.11 1.02 -0.42 -4.90 120.64 113.71 3gis n GLU 186 Ca 0.02 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3gis n GLU 186 Cb 0.17 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3gis n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gis n GLY 186 N 0.34 0.35 3.38 0.62 0.00 -1.05 -4.99 105.19 103.84 3gis n GLY 186 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3gis n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gis s LYS 186 N -0.79 1.38 0.38 1.61 1.02 -1.26 -5.15 119.74 116.93 3gis s LYS 186 Ca 0.00 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 54.66 3gis s LYS 186 Cb 0.00 -1.86 -0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3gis s LYS 186 CO 0.00 0.44 0.03 0.54 -0.92 0.00 0.00 175.35 175.44 3gis n ARG 187 N 0.91 0.94 0.00 1.68 1.74 -1.26 -4.66 116.66 116.01 3gis n ARG 187 Ca -0.18 -2.87 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 3gis n ARG 187 Cb 0.53 0.96 0.00 0.00 -1.02 0.00 0.00 32.46 32.93 3gis n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gis n GLY 188 N 0.13 4.58 3.58 -0.13 0.00 -1.26 -4.94 105.19 107.15 3gis n GLY 188 Ca -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 3gis n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gis s ASP 189 N 0.00 -0.17 0.59 1.61 2.15 -0.92 -4.65 116.67 115.27 3gis s ASP 189 Ca 0.00 0.00 -0.06 0.00 0.43 0.00 0.00 52.55 52.92 3gis s ASP 189 Cb 0.00 0.18 0.01 0.00 -0.30 0.00 0.00 42.92 42.81 3gis s ASP 189 CO 0.00 -0.29 0.90 0.00 -0.17 0.00 0.00 175.17 175.61 3gis s ALA 190 N -2.51 3.30 0.04 3.66 0.00 -1.26 0.59 121.76 125.58 3gis s ALA 190 Ca 0.09 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 3gis s ALA 190 Cb -0.01 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3gis s ALA 190 CO -0.05 -0.80 0.06 0.00 0.00 0.00 0.00 175.76 174.97 3gis n GLU 192 N -0.07 2.08 0.00 0.00 2.13 -1.26 -0.99 120.64 122.52 3gis n GLU 192 Ca 0.00 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3gis n GLU 192 Cb 0.07 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.21 3gis n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gis n GLY 193 N 4.16 1.66 0.10 8.31 0.00 -1.26 -0.63 105.19 117.53 3gis n GLY 193 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3gis n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gis n ASP 194 N 0.00 0.78 -4.44 1.61 8.00 -0.16 -3.91 116.55 118.43 3gis n ASP 194 Ca 0.00 0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.36 3gis n ASP 194 Cb 0.00 0.52 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 3gis n ASP 194 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gis n ALA 195 N -2.13 -1.48 0.00 2.24 0.00 -1.26 -1.47 120.51 116.41 3gis n ALA 195 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gis n ALA 195 Cb 0.53 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3gis n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gis n GLY 196 N 1.85 2.75 3.67 0.00 0.00 0.25 -0.13 105.19 113.58 3gis n GLY 196 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3gis n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gis s GLY 197 N -1.16 1.67 0.20 -0.02 0.00 -0.54 -3.44 107.32 104.02 3gis s GLY 197 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 44.72 45.03 3gis s GLY 197 CO 0.00 0.88 0.57 2.56 0.00 0.00 0.00 173.10 177.11 3gis s PRO 198 N -4.68 3.92 -0.37 2.90 0.04 -1.26 -0.68 135.00 134.87 3gis s PRO 198 Ca 0.66 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 3gis s PRO 198 Cb -0.22 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.60 3gis s PRO 198 CO 0.58 0.38 0.17 0.12 0.04 0.00 0.00 177.00 178.30 3gis s PHE 199 N -1.66 3.28 0.23 0.56 2.19 0.21 -3.86 117.98 118.93 3gis s PHE 199 Ca 0.43 -1.33 0.09 0.00 0.33 0.00 0.00 56.93 56.44 3gis s PHE 199 Cb -0.13 -2.50 -0.04 0.00 -1.31 0.00 0.00 43.02 39.04 3gis s PHE 199 CO 0.20 -0.74 0.00 0.14 1.83 0.00 0.00 175.22 176.65 3gis s VAL 200 N 1.45 3.58 0.00 3.12 -7.23 -0.05 -0.62 120.40 120.66 3gis s VAL 200 Ca 0.01 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3gis s VAL 200 Cb -0.20 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 3gis s VAL 200 CO 0.04 -0.26 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.50 3gis s MET 201 N -3.37 0.23 -0.37 4.82 -1.94 -0.03 0.77 119.30 119.41 3gis s MET 201 Ca 0.30 -0.17 -0.18 0.00 -1.71 0.00 0.00 55.69 53.92 3gis s MET 201 Cb -0.08 -0.18 0.00 0.00 2.01 0.00 0.00 34.83 36.59 3gis s MET 201 CO 0.19 0.05 0.53 0.21 -0.01 0.00 0.00 175.02 175.99 3gis s LYS 202 N -0.25 3.53 0.18 2.03 2.20 -1.26 -0.82 119.74 125.34 3gis s LYS 202 Ca -0.01 -0.24 -0.32 0.00 -0.36 0.00 0.00 55.97 55.05 3gis s LYS 202 Cb -0.02 -3.84 -0.11 0.00 -1.51 0.00 0.00 37.83 32.35 3gis s LYS 202 CO -0.00 -0.72 1.62 0.45 -0.36 0.00 0.00 175.35 176.34 3gis s SER 203 N 1.80 6.52 0.00 1.43 0.15 0.31 -4.87 113.70 119.04 3gis s SER 203 Ca 0.19 2.70 0.29 0.00 0.70 0.00 0.00 55.95 59.82 3gis s SER 203 Cb -0.15 -2.60 1.26 0.00 -1.71 0.00 0.00 66.02 62.82 3gis s SER 203 CO 0.14 -0.87 1.91 -0.81 1.20 0.00 0.00 173.24 174.81 3gis n PRO 204 N 3.99 0.30 -0.00 5.44 -0.04 -1.26 -1.66 135.00 141.78 3gis n PRO 204 Ca 0.15 -0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 3gis n PRO 204 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 3gis n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3gis h PHE 204 N 0.13 0.40 0.00 0.54 0.04 -1.96 -3.41 116.94 112.68 3gis h PHE 204 Ca 0.00 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.48 3gis h PHE 204 Cb 0.39 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3gis h PHE 204 CO 0.00 1.57 0.00 0.27 -0.60 0.00 0.00 178.31 179.55 3gis n ASN 204 N -3.92 1.61 -1.26 2.17 0.23 -1.25 -5.01 115.26 107.83 3gis n ASN 204 Ca -0.26 -1.77 -0.16 0.00 -0.53 0.00 0.00 54.58 51.85 3gis n ASN 204 Cb 0.89 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.52 3gis n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3gis n ASN 205 N -0.39 -5.00 -4.82 0.53 5.15 -0.66 -4.99 115.26 105.08 3gis n ASN 205 Ca 0.00 0.41 -0.23 0.00 -0.60 0.00 0.00 54.58 54.16 3gis n ASN 205 Cb 0.27 -3.95 -0.05 0.00 -0.53 0.00 0.00 39.78 35.52 3gis n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gis s ARG 206 N -3.39 2.91 -0.13 1.20 0.52 -1.25 -4.83 118.95 113.97 3gis s ARG 206 Ca 0.00 -1.03 -0.17 0.00 -0.52 0.00 0.00 55.73 54.00 3gis s ARG 206 Cb 0.00 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3gis s ARG 206 CO 0.00 0.41 0.43 -1.58 0.02 0.00 0.00 175.30 174.59 3gis s TRP 207 N -2.08 3.49 0.02 -0.53 0.52 -1.26 -0.53 118.94 118.57 3gis s TRP 207 Ca 0.32 0.81 0.08 0.00 0.02 0.00 0.00 56.10 57.33 3gis s TRP 207 Cb -0.08 -2.51 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 3gis s TRP 207 CO 0.25 0.17 -0.24 0.71 0.02 0.00 0.00 176.95 177.85 3gis s TYR 208 N 0.66 2.39 -0.46 -1.98 1.51 -0.00 -1.86 117.35 117.61 3gis s TYR 208 Ca 0.23 -0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 55.72 3gis s TYR 208 Cb -0.15 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 3gis s TYR 208 CO 0.09 0.11 0.66 -1.14 -1.11 0.00 0.00 175.55 174.15 3gis s GLN 209 N -1.08 3.24 -0.05 -0.62 0.74 0.41 -0.85 119.66 121.46 3gis s GLN 209 Ca 0.12 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.06 3gis s GLN 209 Cb -0.10 -3.99 -0.25 0.00 1.10 0.00 0.00 33.01 29.77 3gis s GLN 209 CO 0.02 -1.09 0.64 0.52 -0.55 0.00 0.00 175.29 174.83 3gis h MET 210 N 8.93 0.15 -4.48 1.67 2.86 -1.19 -3.39 114.93 119.47 3gis h MET 210 Ca -0.26 -0.25 -0.32 0.00 -2.06 0.00 0.00 59.70 56.81 3gis h MET 210 Cb 1.09 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 32.73 3gis h MET 210 CO 0.92 0.89 -0.40 0.20 1.06 0.00 0.00 176.91 179.59 3gis s GLY 211 N -5.21 1.71 -0.07 8.32 0.00 -0.85 -1.68 107.32 109.54 3gis s GLY 211 Ca -0.11 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3gis s GLY 211 CO 0.81 -1.24 -0.14 -0.42 0.00 0.00 0.00 173.10 172.12 3gis s ILE 212 N -3.55 1.25 0.02 0.90 1.01 -0.99 -0.62 121.20 119.23 3gis s ILE 212 Ca 0.36 -0.54 -0.32 0.00 0.00 0.00 0.00 60.65 60.14 3gis s ILE 212 Cb 0.02 -1.14 -0.11 0.00 0.01 0.00 0.00 42.46 41.25 3gis s ILE 212 CO 0.20 0.38 1.87 0.52 0.00 0.00 0.00 174.94 177.91 3gis n VAL 213 N 3.83 0.52 0.00 2.92 0.31 0.14 -1.05 118.33 125.00 3gis n VAL 213 Ca -0.22 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3gis n VAL 213 Cb 0.52 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 3gis n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gis n SER 214 N 6.32 0.00 -1.19 4.52 2.88 -0.76 -0.58 113.62 124.80 3gis n SER 214 Ca 0.20 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 3gis n SER 214 Cb 0.34 -0.04 -0.00 0.00 -0.75 0.00 0.00 64.21 63.76 3gis n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3gis n TRP 215 N -1.93 -0.37 -1.35 0.66 4.27 -1.05 -4.83 117.44 112.84 3gis n TRP 215 Ca 0.00 -0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.38 3gis n TRP 215 Cb 0.00 0.04 0.00 0.00 -1.36 0.00 0.00 31.31 29.99 3gis n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3gis n GLY 216 N -0.05 -1.50 3.03 -1.67 0.00 -1.26 -0.26 105.19 103.48 3gis n GLY 216 Ca 0.00 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 3gis n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gis s GLU 217 N -1.43 1.57 1.95 1.61 2.02 -1.26 -5.01 118.70 118.16 3gis s GLU 217 Ca 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.07 3gis s GLU 217 Cb 0.00 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3gis s GLU 217 CO 0.00 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 174.72 3gis n GLY 219 N 4.22 -1.21 2.81 -1.39 0.00 -1.26 -4.76 105.19 103.60 3gis n GLY 219 Ca 0.03 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 3gis n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gis n ASP 221 N 4.07 -5.53 -4.73 0.00 2.03 -1.26 -4.61 116.55 106.51 3gis n ASP 221 Ca -0.26 -0.48 -0.39 0.00 0.52 0.00 0.00 54.79 54.17 3gis n ASP 221 Cb 0.51 -4.44 -0.05 0.00 -0.72 0.00 0.00 41.12 36.42 3gis n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3gis s ARG 221 N -6.12 4.42 0.26 -0.67 0.52 -1.26 -4.95 118.95 111.15 3gis s ARG 221 Ca 0.47 0.89 -0.31 0.00 -0.52 0.00 0.00 55.73 56.26 3gis s ARG 221 Cb -0.22 -3.40 -0.13 0.00 0.52 0.00 0.00 34.95 31.71 3gis s ARG 221 CO 0.59 0.19 1.37 -0.25 0.02 0.00 0.00 175.30 177.22 3gis n ASP 222 N 3.28 2.71 0.00 0.23 8.00 -1.26 -0.72 116.55 128.79 3gis n ASP 222 Ca -0.03 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.62 3gis n ASP 222 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3gis n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gis n GLY 223 N 1.89 2.96 3.86 0.44 0.00 -1.26 -5.02 105.19 108.06 3gis n GLY 223 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3gis n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gis s LYS 224 N -0.38 3.06 0.10 1.61 -0.14 0.10 -4.77 119.74 119.33 3gis s LYS 224 Ca 0.00 -0.93 0.04 0.00 -1.36 0.00 0.00 55.97 53.73 3gis s LYS 224 Cb 0.00 -2.68 -0.04 0.00 -1.68 0.00 0.00 37.83 33.44 3gis s LYS 224 CO 0.00 0.43 -0.11 0.71 -0.76 0.00 0.00 175.35 175.62 3gis s TYR 225 N -2.00 1.14 0.43 3.18 2.02 -1.26 -4.68 117.35 116.17 3gis s TYR 225 Ca 0.33 -0.63 -0.16 0.00 -0.37 0.00 0.00 57.07 56.23 3gis s TYR 225 Cb -0.09 -0.61 -0.09 0.00 -0.40 0.00 0.00 41.96 40.77 3gis s TYR 225 CO 0.26 0.03 0.88 0.20 -1.57 0.00 0.00 175.55 175.35 3gis s GLY 226 N -2.44 2.19 0.00 0.71 0.00 -0.92 -4.63 107.32 102.22 3gis s GLY 226 Ca 0.06 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.98 3gis s GLY 226 CO 0.01 0.39 -0.16 -1.36 0.00 0.00 0.00 173.10 171.98 3gis s PHE 227 N -2.32 2.62 0.06 1.90 0.40 0.65 -2.07 117.98 119.22 3gis s PHE 227 Ca 0.57 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.74 3gis s PHE 227 Cb -0.10 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3gis s PHE 227 CO 0.23 0.22 -0.14 0.71 0.70 0.00 0.00 175.22 176.94 3gis s TYR 228 N -0.84 1.20 -0.02 0.36 1.51 0.38 -1.84 117.35 118.10 3gis s TYR 228 Ca 0.13 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 3gis s TYR 228 Cb -0.11 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3gis s TYR 228 CO 0.03 0.05 1.28 0.99 -1.11 0.00 0.00 175.55 176.79 3gis s THR 229 N -1.13 4.00 -0.86 -0.71 2.01 -0.22 -1.15 115.64 117.58 3gis s THR 229 Ca -0.01 1.36 -0.25 0.00 0.31 0.00 0.00 61.69 63.11 3gis s THR 229 Cb -0.09 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3gis s THR 229 CO 0.02 0.01 1.80 -2.28 -0.69 0.00 0.00 174.62 173.48 3gis s HIS 230 N 2.16 1.94 0.21 4.92 2.46 0.50 -2.34 115.29 125.15 3gis s HIS 230 Ca 0.59 0.35 -0.09 0.00 0.47 0.00 0.00 55.06 56.39 3gis s HIS 230 Cb -0.28 -4.21 0.30 0.00 -0.13 0.00 0.00 32.58 28.27 3gis s HIS 230 CO 0.24 -1.91 1.73 0.28 -2.47 0.00 0.00 174.74 172.62 3gis h VAL 231 N 7.04 0.71 -0.51 0.89 2.07 -1.64 -2.75 116.25 122.06 3gis h VAL 231 Ca 0.03 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3gis h VAL 231 Cb 1.04 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3gis h VAL 231 CO 1.26 0.06 0.31 0.15 0.02 0.00 0.00 177.57 179.37 3gis h PHE 232 N 0.35 0.57 -0.56 1.57 3.57 -1.86 -2.37 116.94 118.21 3gis h PHE 232 Ca 0.32 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.99 3gis h PHE 232 Cb 0.44 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3gis h PHE 232 CO -0.20 0.33 0.40 0.00 -2.23 0.00 0.00 178.31 176.61 3gis h ARG 233 N 0.61 0.07 -0.61 1.11 2.47 -1.87 0.80 114.38 116.96 3gis h ARG 233 Ca 0.20 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3gis h ARG 233 Cb 0.01 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3gis h ARG 233 CO -0.09 0.05 0.00 1.28 0.56 0.00 0.00 179.97 181.77 3gis n LEU 234 N -4.40 4.53 0.09 3.04 4.77 -0.93 -4.49 117.00 119.62 3gis n LEU 234 Ca 0.10 -2.42 0.03 0.00 -0.03 0.00 0.00 56.01 53.69 3gis n LEU 234 Cb 0.58 -0.54 0.40 0.00 -2.33 0.00 0.00 43.42 41.53 3gis n LEU 234 CO 0.36 0.81 0.95 0.50 -1.33 0.00 0.00 177.39 178.69 3gis h LYS 235 N 3.81 0.31 -0.00 3.23 3.64 -0.43 -2.00 116.57 125.13 3gis h LYS 235 Ca 0.00 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3gis h LYS 235 Cb 1.37 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3gis h LYS 235 CO 0.20 0.37 -0.03 0.87 -2.27 0.00 0.00 179.45 178.59 3gis h LYS 236 N 0.30 -0.05 -0.99 1.90 1.57 -1.79 -0.95 116.57 116.57 3gis h LYS 236 Ca 0.07 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3gis h LYS 236 Cb 0.27 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 3gis h LYS 236 CO 0.01 -0.03 0.64 2.35 -0.57 0.00 0.00 179.45 181.85 3gis h TRP 237 N -0.05 1.21 -0.55 -1.35 7.01 -1.78 -1.54 115.95 118.89 3gis h TRP 237 Ca 0.01 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.06 3gis h TRP 237 Cb 0.07 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 26.70 3gis h TRP 237 CO -0.11 0.69 0.35 0.82 -2.79 0.00 0.00 178.44 177.41 3gis h ILE 238 N 1.24 1.11 -0.37 2.65 2.04 -0.67 -2.05 117.51 121.45 3gis h ILE 238 Ca 0.39 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.97 3gis h ILE 238 Cb 0.01 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3gis h ILE 238 CO -0.13 0.13 0.08 -0.61 0.00 0.00 0.00 178.15 177.63 3gis h GLN 239 N 0.71 0.60 -0.26 2.37 4.15 -0.58 -1.65 115.11 120.44 3gis h GLN 239 Ca 0.21 -0.15 0.05 0.00 0.77 0.00 0.00 58.65 59.53 3gis h GLN 239 Cb -0.04 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 3gis h GLN 239 CO -0.06 0.64 -0.02 -0.22 -1.93 0.00 0.00 178.83 177.24 3gis h LYS 240 N 0.45 0.06 0.43 1.69 3.64 -1.07 -0.63 116.57 121.14 3gis h LYS 240 Ca 0.12 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3gis h LYS 240 Cb 0.32 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3gis h LYS 240 CO 0.00 0.04 -0.21 0.28 -2.27 0.00 0.00 179.45 177.30 3gis h VAL 241 N 0.06 0.58 -0.84 2.00 2.07 -1.29 -0.81 116.25 118.02 3gis h VAL 241 Ca 0.13 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3gis h VAL 241 Cb 0.17 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3gis h VAL 241 CO -0.23 0.03 0.55 0.40 0.02 0.00 0.00 177.57 178.34 3gis h ILE 242 N -0.65 1.02 -0.00 4.57 2.04 -1.15 0.01 117.51 123.34 3gis h ILE 242 Ca -0.06 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3gis h ILE 242 Cb 0.48 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3gis h ILE 242 CO 0.10 0.16 -0.01 0.44 0.00 0.00 0.00 178.15 178.84 3gis h ASP 243 N 0.90 0.02 -0.76 1.72 3.45 -1.02 0.23 116.42 120.96 3gis h ASP 243 Ca 0.37 -0.68 0.01 0.00 0.43 0.00 0.00 57.03 57.16 3gis h ASP 243 Cb 0.28 -0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 3gis h ASP 243 CO -0.14 0.69 0.50 1.56 -1.57 0.00 0.00 179.24 180.28 3gis h GLN 244 N -0.65 1.00 -0.26 3.56 1.08 -0.91 -3.18 115.11 115.74 3gis h GLN 244 Ca -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3gis h GLN 244 Cb 0.69 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3gis h GLN 244 CO 0.00 0.66 0.00 1.19 -0.95 0.00 0.00 178.83 179.74 3gis n PHE 245 N -4.56 0.34 1.41 2.96 3.01 -0.03 -5.09 117.46 115.51 3gis n PHE 245 Ca 0.07 -0.34 0.11 0.00 1.01 0.00 0.00 57.45 58.30 3gis n PHE 245 Cb 0.02 -0.02 0.67 0.00 -0.01 0.00 0.00 39.48 40.14 3gis n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18