#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdc n GLY 13 N 0.00 -2.98 3.71 -0.02 0.00 -1.26 -4.94 105.19 99.70 3gdc n GLY 13 Ca 0.00 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 3gdc n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdc s SER 14 N -1.72 3.77 0.07 1.61 1.04 -1.26 -4.82 113.70 112.39 3gdc s SER 14 Ca 0.00 2.24 -0.31 0.00 0.48 0.00 0.00 55.95 58.36 3gdc s SER 14 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 3gdc s SER 14 CO 0.00 -2.54 1.31 -0.69 0.98 0.00 0.00 173.24 172.30 3gdc s VAL 15 N -2.33 3.69 0.40 5.02 1.01 -1.26 -4.97 120.40 121.97 3gdc s VAL 15 Ca 0.70 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 3gdc s VAL 15 Cb -0.25 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3gdc s VAL 15 CO 0.51 0.07 1.38 -0.76 0.00 0.00 0.00 175.10 176.31 3gdc s LEU 16 N 1.33 4.23 0.23 3.92 1.43 -1.26 -4.70 118.68 123.85 3gdc s LEU 16 Ca 0.62 2.83 -0.09 0.00 -1.03 0.00 0.00 54.13 56.46 3gdc s LEU 16 Cb -0.33 -3.83 0.35 0.00 0.03 0.00 0.00 46.19 42.42 3gdc s LEU 16 CO 0.29 -0.92 1.66 0.00 0.23 0.00 0.00 176.35 177.61 3gdc h ALA 17 N 2.73 0.70 -0.82 4.21 0.00 -1.94 0.27 119.26 124.40 3gdc h ALA 17 Ca -0.50 0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3gdc h ALA 17 Cb 1.25 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 3gdc h ALA 17 CO 0.63 -0.39 0.50 1.49 0.00 0.00 0.00 179.25 181.47 3gdc h GLU 18 N 0.13 0.86 0.02 0.00 4.81 -1.91 -0.40 114.58 118.10 3gdc h GLU 18 Ca 0.36 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.26 3gdc h GLU 18 Cb 0.60 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.80 3gdc h GLU 18 CO -0.56 0.57 -1.08 -0.09 -0.73 0.00 0.00 179.01 177.12 3gdc h ARG 19 N 0.89 0.68 -0.28 1.92 2.43 -1.53 -3.33 114.38 115.15 3gdc h ARG 19 Ca 0.37 -0.76 -0.13 0.00 -0.81 0.00 0.00 59.98 58.65 3gdc h ARG 19 Cb 0.21 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3gdc h ARG 19 CO -0.19 1.33 -0.37 0.00 -1.51 0.00 0.00 179.97 179.23 3gdc h ALA 20 N 0.40 0.83 0.00 2.80 0.00 -0.15 -3.41 119.26 119.74 3gdc h ALA 20 Ca -0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3gdc h ALA 20 Cb 1.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3gdc h ALA 20 CO 0.21 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3gdc n GLY 21 N -0.04 0.71 2.96 0.00 0.00 -0.19 -2.18 105.19 106.44 3gdc n GLY 21 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3gdc n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 22 N -2.44 0.56 -0.55 -0.61 1.01 -1.22 -4.82 121.20 113.12 3gdc s ILE 22 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3gdc s ILE 22 Cb 0.00 -0.50 0.14 0.00 0.01 0.00 0.00 42.46 42.11 3gdc s ILE 22 CO 0.00 0.18 0.34 -0.62 0.00 0.00 0.00 174.94 174.84 3gdc s ASP 23 N 0.18 4.98 0.43 3.58 -1.08 -1.26 -4.29 116.67 119.20 3gdc s ASP 23 Ca -0.02 -2.75 0.10 0.00 -0.52 0.00 0.00 52.55 49.36 3gdc s ASP 23 Cb -0.07 -1.78 0.95 0.00 -1.46 0.00 0.00 42.92 40.56 3gdc s ASP 23 CO -0.00 -0.36 2.04 -0.65 0.52 0.00 0.00 175.17 176.72 3gdc h PRO 24 N 7.06 0.46 -0.44 4.34 0.11 -1.94 -1.41 132.00 140.18 3gdc h PRO 24 Ca -0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3gdc h PRO 24 Cb 0.95 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3gdc h PRO 24 CO 0.69 0.30 0.16 1.15 -0.21 0.00 0.00 178.00 180.09 3gdc h THR 25 N 0.47 1.21 -0.36 -1.15 2.02 -1.93 -0.35 112.91 112.81 3gdc h THR 25 Ca 0.19 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3gdc h THR 25 Cb 0.16 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3gdc h THR 25 CO -0.05 0.24 0.15 0.00 0.37 0.00 0.00 175.52 176.24 3gdc h ALA 26 N 1.01 0.47 -0.95 6.16 0.00 -1.85 -2.88 119.26 121.22 3gdc h ALA 26 Ca 0.14 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3gdc h ALA 26 Cb 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3gdc h ALA 26 CO -0.01 0.05 0.61 0.82 0.00 0.00 0.00 179.25 180.73 3gdc h ILE 27 N 0.44 1.04 -0.99 0.00 2.04 -1.06 -2.05 117.51 116.93 3gdc h ILE 27 Ca 0.12 -0.36 0.24 0.00 1.00 0.00 0.00 64.86 65.86 3gdc h ILE 27 Cb 0.16 -0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.06 3gdc h ILE 27 CO -0.01 0.19 0.64 0.25 0.00 0.00 0.00 178.15 179.22 3gdc h LEU 28 N 1.05 0.44 -2.66 1.44 5.85 -0.83 -2.80 115.31 117.81 3gdc h LEU 28 Ca 0.42 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3gdc h LEU 28 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3gdc h LEU 28 CO -0.17 0.13 -0.01 0.54 -0.34 0.00 0.00 178.44 178.59 3gdc n ARG 29 N -4.57 2.34 -2.98 1.25 1.74 -0.96 -0.49 116.66 112.98 3gdc n ARG 29 Ca 0.23 -1.41 -0.44 0.00 -0.77 0.00 0.00 57.85 55.45 3gdc n ARG 29 Cb 0.79 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 31.26 3gdc n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gdc s ASP 30 N -0.98 6.61 -0.40 0.55 -1.08 -0.81 -4.99 116.67 115.57 3gdc s ASP 30 Ca 0.02 -2.05 -0.19 0.00 -0.52 0.00 0.00 52.55 49.82 3gdc s ASP 30 Cb 0.02 -2.37 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 3gdc s ASP 30 CO 0.00 -1.02 0.53 -0.36 0.52 0.00 0.00 175.17 174.84 3gdc s PHE 31 N 2.44 3.14 -0.61 -5.34 0.08 -1.26 -4.28 117.98 112.14 3gdc s PHE 31 Ca 0.29 -0.04 -0.25 0.00 0.12 0.00 0.00 56.93 57.05 3gdc s PHE 31 Cb -0.07 -3.05 0.04 0.00 -0.57 0.00 0.00 43.02 39.37 3gdc s PHE 31 CO -0.08 -0.69 1.05 0.34 -0.10 0.00 0.00 175.22 175.75 3gdc s ASP 32 N 1.85 6.29 0.00 1.36 -1.08 0.60 -4.87 116.67 120.82 3gdc s ASP 32 Ca 0.18 -0.44 0.30 0.00 -0.52 0.00 0.00 52.55 52.07 3gdc s ASP 32 Cb -0.15 -2.47 1.47 0.00 -1.46 0.00 0.00 42.92 40.30 3gdc s ASP 32 CO 0.15 -1.43 1.99 0.54 0.52 0.00 0.00 175.17 176.94 3gdc n ARG 33 N 8.03 1.04 0.00 4.34 1.74 -1.26 -1.30 116.66 129.25 3gdc n ARG 33 Ca 0.02 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 3gdc n ARG 33 Cb 0.48 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3gdc n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gdc n GLY 34 N 1.14 -0.97 3.54 -0.13 0.00 -1.26 -4.75 105.19 102.77 3gdc n GLY 34 Ca 0.19 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3gdc n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdc s ARG 35 N 0.00 3.12 0.17 1.61 1.70 -0.35 -4.90 118.95 120.30 3gdc s ARG 35 Ca 0.00 -0.54 0.10 0.00 -0.47 0.00 0.00 55.73 54.82 3gdc s ARG 35 Cb 0.00 -2.71 -0.04 0.00 -0.57 0.00 0.00 34.95 31.63 3gdc s ARG 35 CO 0.00 0.49 -0.17 0.95 -1.08 0.00 0.00 175.30 175.49 3gdc s THR 36 N -0.33 2.77 0.18 4.99 -4.23 -1.26 -0.82 115.64 116.94 3gdc s THR 36 Ca 0.05 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 58.69 3gdc s THR 36 Cb -0.12 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.38 3gdc s THR 36 CO 0.02 -0.06 0.34 -0.94 -0.54 0.00 0.00 174.62 173.44 3gdc s SER 37 N -2.59 -0.01 -0.17 3.99 1.04 -0.52 -4.99 113.70 110.45 3gdc s SER 37 Ca 0.21 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 3gdc s SER 37 Cb -0.09 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3gdc s SER 37 CO 0.12 -0.95 0.10 -0.89 0.98 0.00 0.00 173.24 172.60 3gdc s THR 38 N -3.97 5.15 0.51 2.02 2.01 -1.26 -0.13 115.64 119.97 3gdc s THR 38 Ca 0.18 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 3gdc s THR 38 Cb 0.02 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 3gdc s THR 38 CO 0.02 0.49 0.83 -0.76 -0.69 0.00 0.00 174.62 174.50 3gdc s LEU 39 N 0.03 3.53 -0.50 4.42 1.43 0.26 -4.92 118.68 122.94 3gdc s LEU 39 Ca 0.08 0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 53.85 3gdc s LEU 39 Cb -0.12 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 3gdc s LEU 39 CO 0.00 -0.68 1.88 -2.84 0.23 0.00 0.00 176.35 174.94 3gdc s PRO 40 N -4.82 2.84 0.00 1.29 0.02 -1.26 -2.05 135.00 131.01 3gdc s PRO 40 Ca 0.49 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3gdc s PRO 40 Cb -0.10 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 30.08 3gdc s PRO 40 CO 0.46 -2.46 0.00 -0.40 -0.33 0.00 0.00 177.00 174.27 3gdc n ASP 41 N 12.12 0.00 0.00 2.53 5.75 -1.26 -4.89 116.55 130.80 3gdc n ASP 41 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 3gdc n ASP 41 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3gdc n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gdc n GLY 42 N 0.00 3.13 3.75 6.12 0.00 -0.87 -5.05 105.19 112.27 3gdc n GLY 42 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gdc n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdc s ARG 43 N -0.75 2.34 -0.02 1.61 0.52 -1.26 -4.69 118.95 116.70 3gdc s ARG 43 Ca 0.00 1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 56.42 3gdc s ARG 43 Cb 0.00 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.54 3gdc s ARG 43 CO 0.00 -1.62 0.69 0.99 0.02 0.00 0.00 175.30 175.38 3gdc s THR 44 N -2.42 4.93 -0.30 0.02 2.01 -1.26 -0.57 115.64 118.05 3gdc s THR 44 Ca 0.67 1.44 -0.11 0.00 0.31 0.00 0.00 61.69 64.00 3gdc s THR 44 Cb -0.22 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3gdc s THR 44 CO 0.47 0.33 0.20 -0.22 -0.69 0.00 0.00 174.62 174.71 3gdc s LEU 45 N 0.31 4.13 -0.11 4.42 2.96 0.81 -1.11 118.68 130.08 3gdc s LEU 45 Ca 0.36 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3gdc s LEU 45 Cb -0.19 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 3gdc s LEU 45 CO 0.19 -0.10 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.31 3gdc s ARG 46 N 1.74 3.15 0.03 1.98 3.52 0.39 -1.44 118.95 128.32 3gdc s ARG 46 Ca 0.07 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 3gdc s ARG 46 Cb -0.16 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.79 3gdc s ARG 46 CO 0.10 0.17 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.44 3gdc s GLU 47 N 0.40 0.75 0.05 5.12 2.02 0.00 -1.46 118.70 125.59 3gdc s GLU 47 Ca -0.15 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.18 3gdc s GLU 47 Cb -0.17 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.33 3gdc s GLU 47 CO 0.07 0.17 -0.08 -1.58 0.02 0.00 0.00 175.26 173.86 3gdc s TRP 48 N -0.89 0.70 -0.22 1.61 0.51 -0.46 -1.21 118.94 118.99 3gdc s TRP 48 Ca -0.01 -0.55 -0.07 0.00 -2.12 0.00 0.00 56.10 53.35 3gdc s TRP 48 Cb -0.08 -0.42 -0.03 0.00 -0.81 0.00 0.00 33.47 32.13 3gdc s TRP 48 CO 0.01 -0.09 0.07 -0.51 -0.51 0.00 0.00 176.95 175.91 3gdc s ASP 49 N -1.75 5.34 -0.07 2.95 1.01 -1.26 -0.50 116.67 122.38 3gdc s ASP 49 Ca -0.07 -0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.13 3gdc s ASP 49 Cb -0.08 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 41.92 3gdc s ASP 49 CO -0.00 0.06 -0.16 -0.63 0.21 0.00 0.00 175.17 174.65 3gdc s ILE 50 N 1.05 1.42 -0.10 0.77 1.01 -0.34 -4.96 121.20 120.05 3gdc s ILE 50 Ca 0.04 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3gdc s ILE 50 Cb -0.14 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.07 3gdc s ILE 50 CO 0.03 0.42 -0.20 -0.69 0.00 0.00 0.00 174.94 174.50 3gdc s VAL 51 N 0.53 1.76 -0.14 2.92 1.01 -1.26 -1.11 120.40 124.11 3gdc s VAL 51 Ca -0.15 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 3gdc s VAL 51 Cb -0.16 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3gdc s VAL 51 CO 0.05 0.49 0.95 0.00 0.00 0.00 0.00 175.10 176.60 3gdc s ALA 52 N 0.54 3.48 -0.01 5.51 0.00 -0.15 -0.17 121.76 130.96 3gdc s ALA 52 Ca -0.15 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3gdc s ALA 52 Cb -0.17 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3gdc s ALA 52 CO 0.05 -0.68 -0.04 0.14 0.00 0.00 0.00 175.76 175.24 3gdc s VAL 53 N 2.21 0.38 -0.05 0.00 -7.23 0.81 -0.87 120.40 115.65 3gdc s VAL 53 Ca 0.44 -0.15 -0.28 0.00 -1.81 0.00 0.00 61.98 60.18 3gdc s VAL 53 Cb -0.17 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3gdc s VAL 53 CO 0.14 0.13 0.92 -1.81 -0.31 0.00 0.00 175.10 174.18 3gdc s ASP 54 N 0.22 7.24 -0.16 4.85 1.01 -1.26 -1.25 116.67 127.32 3gdc s ASP 54 Ca -0.02 1.50 -0.13 0.00 0.71 0.00 0.00 52.55 54.61 3gdc s ASP 54 Cb -0.06 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.39 3gdc s ASP 54 CO -0.00 -0.29 0.40 -0.75 0.21 0.00 0.00 175.17 174.74 3gdc s LYS 55 N 1.31 0.44 0.15 8.23 2.20 -0.64 -4.99 119.74 126.44 3gdc s LYS 55 Ca 0.47 0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 56.46 3gdc s LYS 55 Cb -0.19 0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 3gdc s LYS 55 CO 0.22 -0.09 0.75 -0.51 -0.36 0.00 0.00 175.35 175.37 3gdc s ASP 56 N 0.56 7.34 -0.05 1.43 1.01 -1.26 -0.60 116.67 125.10 3gdc s ASP 56 Ca -0.03 1.59 0.02 0.00 0.71 0.00 0.00 52.55 54.84 3gdc s ASP 56 Cb -0.04 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3gdc s ASP 56 CO -0.03 0.20 -0.10 -0.36 0.21 0.00 0.00 175.17 175.09 3gdc s PHE 57 N -1.06 1.15 -0.75 4.23 0.08 -0.12 -4.91 117.98 116.61 3gdc s PHE 57 Ca 0.35 -0.37 -0.22 0.00 0.12 0.00 0.00 56.93 56.82 3gdc s PHE 57 Cb -0.23 -0.87 0.09 0.00 -0.57 0.00 0.00 43.02 41.44 3gdc s PHE 57 CO 0.25 -0.20 1.03 -2.00 -0.10 0.00 0.00 175.22 174.20 3gdc s GLU 58 N 0.56 3.26 0.10 0.44 2.12 -0.93 0.10 118.70 124.35 3gdc s GLU 58 Ca -0.10 -1.10 0.14 0.00 0.36 0.00 0.00 54.97 54.27 3gdc s GLU 58 Cb -0.13 -4.47 -0.12 0.00 0.26 0.00 0.00 34.13 29.67 3gdc s GLU 58 CO 0.02 -1.82 1.01 -0.84 -0.54 0.00 0.00 175.26 173.08 3gdc h ILE 59 N 5.97 0.87 -4.04 -3.70 3.07 -1.72 -3.40 117.51 114.56 3gdc h ILE 59 Ca -0.15 -2.45 -0.17 0.00 1.55 0.00 0.00 64.86 63.64 3gdc h ILE 59 Cb 1.06 2.35 -0.19 0.00 -0.27 0.00 0.00 36.82 39.76 3gdc h ILE 59 CO 1.17 0.50 -0.70 0.00 -1.05 0.00 0.00 178.15 178.07 3gdc s ALA 60 N -2.82 0.36 -0.23 0.16 0.00 -1.24 -4.13 121.76 113.86 3gdc s ALA 60 Ca -0.01 -0.85 -0.36 0.00 0.00 0.00 0.00 51.96 50.74 3gdc s ALA 60 Cb 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 23.12 23.25 3gdc s ALA 60 CO 0.80 -0.21 1.94 -2.30 0.00 0.00 0.00 175.76 175.99 3gdc n PRO 61 N 1.03 1.55 -0.86 0.00 -0.02 -1.26 -0.40 135.00 135.04 3gdc n PRO 61 Ca -0.20 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3gdc n PRO 61 Cb 0.57 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3gdc n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdc n GLY 62 N 4.97 0.90 3.29 -1.23 0.00 -1.26 -5.01 105.19 106.85 3gdc n GLY 62 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 3gdc n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 63 N -3.56 4.07 -0.36 -0.61 -1.09 0.47 -5.06 121.20 115.05 3gdc s ILE 63 Ca 0.00 -1.18 -0.13 0.00 -2.23 0.00 0.00 60.65 57.11 3gdc s ILE 63 Cb 0.00 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.51 3gdc s ILE 63 CO 0.00 -0.31 0.24 -0.63 -1.23 0.00 0.00 174.94 173.02 3gdc s ILE 64 N 1.43 5.13 -0.24 2.92 -1.09 -1.26 -2.08 121.20 126.01 3gdc s ILE 64 Ca 0.01 -0.43 -0.18 0.00 -2.23 0.00 0.00 60.65 57.82 3gdc s ILE 64 Cb -0.21 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 3gdc s ILE 64 CO 0.03 -0.11 0.52 0.12 -1.23 0.00 0.00 174.94 174.28 3gdc s PHE 65 N 1.68 3.31 -0.82 3.97 5.36 0.11 -4.90 117.98 126.70 3gdc s PHE 65 Ca 0.05 0.70 -0.25 0.00 -0.96 0.00 0.00 56.93 56.47 3gdc s PHE 65 Cb -0.18 -2.71 0.05 0.00 -0.34 0.00 0.00 43.02 39.84 3gdc s PHE 65 CO 0.10 -0.22 1.27 0.15 -1.46 0.00 0.00 175.22 175.05 3gdc s LYS 66 N 2.07 3.32 0.29 10.12 1.02 -1.26 -0.95 119.74 134.35 3gdc s LYS 66 Ca 0.22 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 3gdc s LYS 66 Cb -0.16 -4.57 -0.05 0.00 -0.52 0.00 0.00 37.83 32.54 3gdc s LYS 66 CO 0.09 -2.08 0.53 0.20 -0.92 0.00 0.00 175.35 173.17 3gdc s GLY 67 N 4.07 1.71 -0.24 -3.33 0.00 0.23 -4.96 107.32 104.80 3gdc s GLY 67 Ca 0.36 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 3gdc s GLY 67 CO 0.05 -0.60 -0.02 -0.98 0.00 0.00 0.00 173.10 171.55 3gdc s TRP 68 N -2.12 3.02 0.05 1.90 0.51 -0.03 -1.62 118.94 120.65 3gdc s TRP 68 Ca 0.42 -1.10 0.04 0.00 -2.12 0.00 0.00 56.10 53.34 3gdc s TRP 68 Cb -0.10 -2.12 -0.02 0.00 -0.81 0.00 0.00 33.47 30.41 3gdc s TRP 68 CO 0.32 -0.60 -0.11 -1.54 -0.51 0.00 0.00 176.95 174.50 3gdc s SER 69 N 1.44 1.31 -0.25 2.95 1.04 -0.38 -2.34 113.70 117.48 3gdc s SER 69 Ca 0.04 -0.50 -0.24 0.00 0.48 0.00 0.00 55.95 55.72 3gdc s SER 69 Cb -0.15 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 3gdc s SER 69 CO -0.02 -0.08 0.81 -0.31 0.98 0.00 0.00 173.24 174.62 3gdc s TYR 70 N -1.09 3.30 -1.76 5.02 2.02 -1.26 -0.13 117.35 123.46 3gdc s TYR 70 Ca -0.03 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 3gdc s TYR 70 Cb -0.09 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.43 3gdc s TYR 70 CO 0.01 -0.41 0.00 0.09 -1.57 0.00 0.00 175.55 173.67 3gdc n ASN 71 N 6.00 -5.78 -1.05 2.29 3.02 0.77 -3.17 115.26 117.34 3gdc n ASN 71 Ca 0.05 0.02 -0.11 0.00 -0.03 0.00 0.00 54.58 54.50 3gdc n ASN 71 Cb 0.48 -4.83 -0.03 0.00 -0.61 0.00 0.00 39.78 34.79 3gdc n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gdc n GLY 72 N -0.98 0.69 2.97 7.41 0.00 -1.26 -5.01 105.19 109.02 3gdc n GLY 72 Ca -0.24 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3gdc n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdc s ARG 73 N -3.63 0.27 -0.13 1.61 1.70 -1.19 -4.90 118.95 112.68 3gdc s ARG 73 Ca 0.00 -0.51 -0.00 0.00 -0.47 0.00 0.00 55.73 54.75 3gdc s ARG 73 Cb 0.00 0.06 0.03 0.00 -0.57 0.00 0.00 34.95 34.47 3gdc s ARG 73 CO 0.00 -0.03 -0.10 0.42 -1.08 0.00 0.00 175.30 174.51 3gdc s ILE 74 N -1.18 1.25 0.96 4.99 1.01 -1.26 -3.15 121.20 123.82 3gdc s ILE 74 Ca -0.13 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 3gdc s ILE 74 Cb -0.08 -1.24 0.17 0.00 0.01 0.00 0.00 42.46 41.31 3gdc s ILE 74 CO -0.01 0.37 1.09 -2.16 0.00 0.00 0.00 174.94 174.24 3gdc s PRO 75 N 1.61 0.69 1.32 2.79 0.04 -1.26 -4.09 135.00 136.11 3gdc s PRO 75 Ca 0.04 1.06 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 3gdc s PRO 75 Cb -0.13 -1.73 0.33 0.00 0.04 0.00 0.00 34.50 33.02 3gdc s PRO 75 CO -0.09 -2.70 1.04 0.20 0.04 0.00 0.00 177.00 175.50 3gdc s GLY 76 N -2.97 1.52 0.26 0.56 0.00 0.14 -4.93 107.32 101.91 3gdc s GLY 76 Ca 0.65 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.07 3gdc s GLY 76 CO 0.59 -0.03 1.06 -1.05 0.00 0.00 0.00 173.10 173.67 3gdc n PRO 77 N -5.19 1.35 -2.90 2.90 -0.02 -1.26 -4.55 135.00 125.33 3gdc n PRO 77 Ca 0.15 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 3gdc n PRO 77 Cb 0.60 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 3gdc n PRO 77 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gdc s THR 78 N -0.82 4.49 0.12 3.45 2.01 -1.26 -3.84 115.64 119.79 3gdc s THR 78 Ca 0.62 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 3gdc s THR 78 Cb -0.73 -4.48 -0.06 0.00 0.01 0.00 0.00 72.50 67.24 3gdc s THR 78 CO 0.58 -1.03 0.93 -0.76 -0.69 0.00 0.00 174.62 173.65 3gdc s LEU 79 N 3.68 4.51 -0.08 4.42 1.43 -0.24 -0.29 118.68 132.11 3gdc s LEU 79 Ca 0.28 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 3gdc s LEU 79 Cb -0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3gdc s LEU 79 CO 0.18 -0.02 -0.18 0.86 0.23 0.00 0.00 176.35 177.42 3gdc s TRP 80 N -0.16 1.95 0.14 0.29 -0.00 -0.42 0.08 118.94 120.82 3gdc s TRP 80 Ca 0.45 -0.74 -0.02 0.00 -0.00 0.00 0.00 56.10 55.79 3gdc s TRP 80 Cb -0.23 -1.35 -0.03 0.00 -0.00 0.00 0.00 33.47 31.86 3gdc s TRP 80 CO 0.29 -0.32 0.10 0.00 -0.00 0.00 0.00 176.95 177.03 3gdc s ALA 81 N 0.42 0.71 -0.07 5.86 0.00 0.09 -4.45 121.76 124.31 3gdc s ALA 81 Ca -0.14 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.40 3gdc s ALA 81 Cb -0.16 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 3gdc s ALA 81 CO 0.06 -0.52 0.14 0.50 0.00 0.00 0.00 175.76 175.94 3gdc s ARG 82 N -4.03 3.39 -0.09 0.00 3.52 -1.26 -0.87 118.95 119.60 3gdc s ARG 82 Ca 0.23 -0.23 -0.40 0.00 -0.13 0.00 0.00 55.73 55.20 3gdc s ARG 82 Cb 0.07 -3.12 -0.18 0.00 -1.56 0.00 0.00 34.95 30.16 3gdc s ARG 82 CO 0.02 0.73 1.39 -1.91 -0.81 0.00 0.00 175.30 174.72 3gdc n GLU 83 N 1.59 0.70 0.00 5.12 2.13 0.49 -1.30 120.64 129.37 3gdc n GLU 83 Ca -0.16 0.25 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3gdc n GLU 83 Cb 0.54 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.40 3gdc n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gdc n GLY 84 N 2.80 1.42 3.69 8.31 0.00 -0.05 -4.74 105.19 116.62 3gdc n GLY 84 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3gdc n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gdc n ASP 85 N 0.00 1.81 -4.69 1.61 8.00 -0.42 -4.61 116.55 118.24 3gdc n ASP 85 Ca 0.00 0.87 -0.40 0.00 0.71 0.00 0.00 54.79 55.98 3gdc n ASP 85 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 39.55 3gdc n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gdc s ALA 86 N -1.39 3.45 -0.02 2.24 0.00 -0.27 -0.62 121.76 125.15 3gdc s ALA 86 Ca 0.76 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.69 3gdc s ALA 86 Cb -0.41 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3gdc s ALA 86 CO 0.46 -0.29 -0.13 -0.51 0.00 0.00 0.00 175.76 175.29 3gdc s LEU 87 N 1.28 2.85 -0.07 0.00 1.43 0.62 -0.46 118.68 124.33 3gdc s LEU 87 Ca 0.32 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3gdc s LEU 87 Cb -0.16 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3gdc s LEU 87 CO 0.13 0.31 -0.02 -0.13 0.23 0.00 0.00 176.35 176.88 3gdc s ARG 88 N -1.07 0.80 -0.31 1.70 0.52 -0.53 -2.43 118.95 117.63 3gdc s ARG 88 Ca 0.14 0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.32 3gdc s ARG 88 Cb -0.11 -1.06 0.04 0.00 0.52 0.00 0.00 34.95 34.34 3gdc s ARG 88 CO 0.03 -0.26 0.04 0.42 0.02 0.00 0.00 175.30 175.56 3gdc s ILE 89 N 1.76 3.43 -0.69 1.52 -1.09 0.53 -1.36 121.20 125.30 3gdc s ILE 89 Ca 0.03 -1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 57.10 3gdc s ILE 89 Cb -0.13 -2.90 0.08 0.00 -1.58 0.00 0.00 42.46 37.94 3gdc s ILE 89 CO -0.05 -0.06 0.95 -1.00 -1.23 0.00 0.00 174.94 173.55 3gdc s HIS 90 N 1.36 2.79 -0.13 3.97 3.76 0.34 -0.87 115.29 126.51 3gdc s HIS 90 Ca -0.02 -0.75 -0.17 0.00 -0.15 0.00 0.00 55.06 53.98 3gdc s HIS 90 Cb -0.19 -4.25 -0.04 0.00 1.11 0.00 0.00 32.58 29.21 3gdc s HIS 90 CO 0.01 -1.57 0.42 0.12 -0.85 0.00 0.00 174.74 172.87 3gdc s PHE 91 N 3.65 3.50 -0.06 1.40 5.36 0.17 -1.20 117.98 130.79 3gdc s PHE 91 Ca 0.22 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 57.04 3gdc s PHE 91 Cb -0.16 -2.49 -0.00 0.00 -0.34 0.00 0.00 43.02 40.02 3gdc s PHE 91 CO 0.06 0.19 -0.20 0.99 -1.46 0.00 0.00 175.22 174.80 3gdc s THR 92 N 0.59 1.66 -0.52 0.12 2.01 -0.26 -0.72 115.64 118.51 3gdc s THR 92 Ca 0.23 -0.83 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3gdc s THR 92 Cb -0.14 -1.43 0.07 0.00 0.01 0.00 0.00 72.50 71.01 3gdc s THR 92 CO 0.08 0.47 0.58 0.21 -0.69 0.00 0.00 174.62 175.27 3gdc s ASN 93 N 0.10 6.20 -0.04 3.53 2.47 -0.27 -0.98 114.94 125.95 3gdc s ASN 93 Ca -0.07 -1.15 0.19 0.00 0.42 0.00 0.00 52.86 52.25 3gdc s ASN 93 Cb -0.14 -2.26 0.62 0.00 -1.45 0.00 0.00 41.25 38.02 3gdc s ASN 93 CO 0.04 -0.87 1.53 0.00 -3.72 0.00 0.00 177.10 174.07 3gdc n ALA 94 N 5.93 2.58 -1.96 1.71 0.00 -0.05 0.43 120.51 129.14 3gdc n ALA 94 Ca -0.09 -1.40 -0.26 0.00 0.00 0.00 0.00 53.44 51.69 3gdc n ALA 94 Cb 0.44 -0.87 0.13 0.00 0.00 0.00 0.00 19.45 19.15 3gdc n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gdc s GLY 95 N -1.00 1.76 0.04 0.00 0.00 -0.90 -4.62 107.32 102.60 3gdc s GLY 95 Ca 0.46 -1.43 0.26 0.00 0.00 0.00 0.00 44.72 44.01 3gdc s GLY 95 CO 0.28 -0.80 1.54 0.00 0.00 0.00 0.00 173.10 174.12 3gdc n ALA 96 N -3.22 3.01 -2.44 3.20 0.00 -1.26 -4.56 120.51 115.24 3gdc n ALA 96 Ca 0.14 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 3gdc n ALA 96 Cb 0.60 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 3gdc n ALA 96 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3gdc s HIS 97 N -3.05 2.07 0.52 0.00 3.76 -1.26 -4.87 115.29 112.46 3gdc s HIS 97 Ca 0.11 -0.41 -0.21 0.00 -0.15 0.00 0.00 55.06 54.39 3gdc s HIS 97 Cb 0.16 -1.00 -0.06 0.00 1.11 0.00 0.00 32.58 32.80 3gdc s HIS 97 CO 0.66 0.45 1.23 -1.25 -0.85 0.00 0.00 174.74 174.98 3gdc s PRO 98 N -2.90 3.35 0.19 8.40 0.04 -1.26 -4.37 135.00 138.45 3gdc s PRO 98 Ca 0.20 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 3gdc s PRO 98 Cb -0.06 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3gdc s PRO 98 CO 0.09 -0.92 0.27 -1.01 0.04 0.00 0.00 177.00 175.47 3gdc s HIS 99 N -1.50 0.63 0.32 0.56 3.76 -0.65 -4.90 115.29 113.51 3gdc s HIS 99 Ca 0.70 -0.96 0.07 0.00 -0.15 0.00 0.00 55.06 54.72 3gdc s HIS 99 Cb -0.32 -0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 3gdc s HIS 99 CO 0.37 -0.74 0.26 0.95 -0.85 0.00 0.00 174.74 174.73 3gdc s THR 100 N -4.04 0.02 -0.15 1.30 -4.23 -1.26 -0.93 115.64 106.35 3gdc s THR 100 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3gdc s THR 100 Cb 0.04 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.41 3gdc s THR 100 CO 0.05 0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.37 3gdc s ILE 101 N -3.50 1.54 -0.26 2.99 1.01 -1.26 -4.10 121.20 117.63 3gdc s ILE 101 Ca 0.40 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 3gdc s ILE 101 Cb 0.03 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3gdc s ILE 101 CO 0.26 0.42 0.10 -2.28 0.00 0.00 0.00 174.94 173.44 3gdc s HIS 102 N 1.49 3.12 0.06 3.97 5.65 0.11 -3.84 115.29 125.86 3gdc s HIS 102 Ca 0.04 -0.32 -0.11 0.00 0.25 0.00 0.00 55.06 54.92 3gdc s HIS 102 Cb -0.13 -2.28 -0.06 0.00 -1.18 0.00 0.00 32.58 28.93 3gdc s HIS 102 CO -0.10 -0.32 0.41 -0.06 -0.65 0.00 0.00 174.74 174.01 3gdc s PHE 103 N 1.65 3.62 -0.43 3.88 0.08 -1.26 -1.02 117.98 124.50 3gdc s PHE 103 Ca 0.06 0.85 -0.23 0.00 0.12 0.00 0.00 56.93 57.73 3gdc s PHE 103 Cb -0.15 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 3gdc s PHE 103 CO 0.05 0.55 0.78 -1.01 -0.10 0.00 0.00 175.22 175.49 3gdc s HIS 104 N -1.32 3.02 0.00 0.36 3.76 0.41 -4.93 115.29 116.59 3gdc s HIS 104 Ca 0.31 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 3gdc s HIS 104 Cb -0.15 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.96 3gdc s HIS 104 CO 0.17 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.55 3gdc n GLY 105 N 4.87 1.17 3.69 -2.22 0.00 -1.26 -4.31 105.19 107.13 3gdc n GLY 105 Ca 0.02 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 3gdc n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdc s VAL 106 N -2.00 5.03 0.22 1.61 1.01 -0.61 -5.00 120.40 120.67 3gdc s VAL 106 Ca 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3gdc s VAL 106 Cb 0.00 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3gdc s VAL 106 CO 0.00 0.17 0.66 -1.38 0.00 0.00 0.00 175.10 174.56 3gdc s HIS 107 N 1.40 -0.34 0.69 5.22 -0.00 -1.26 -4.55 115.29 116.44 3gdc s HIS 107 Ca 0.33 -0.01 -0.12 0.00 -0.00 0.00 0.00 55.06 55.26 3gdc s HIS 107 Cb -0.16 0.63 0.01 0.00 -0.00 0.00 0.00 32.58 33.06 3gdc s HIS 107 CO 0.13 -1.06 1.08 1.03 -0.00 0.00 0.00 174.74 175.92 3gdc s ARG 108 N -3.84 2.82 0.31 -0.38 0.52 -1.26 -4.96 118.95 112.16 3gdc s ARG 108 Ca 0.07 1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 56.41 3gdc s ARG 108 Cb -0.04 -1.97 0.51 0.00 0.52 0.00 0.00 34.95 33.97 3gdc s ARG 108 CO -0.02 -1.20 1.97 0.00 0.02 0.00 0.00 175.30 176.06 3gdc h ALA 109 N -0.45 1.47 0.00 2.13 0.00 -2.01 -1.08 119.26 119.32 3gdc h ALA 109 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gdc h ALA 109 Cb 1.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3gdc h ALA 109 CO 0.55 0.47 0.00 0.25 0.00 0.00 0.00 179.25 180.52 3gdc n THR 110 N -4.43 0.92 -0.70 0.00 -2.24 -1.26 -2.65 114.28 103.92 3gdc n THR 110 Ca 0.10 0.23 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 3gdc n THR 110 Cb 0.07 -0.96 0.25 0.00 -2.10 0.00 0.00 70.33 67.59 3gdc n THR 110 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gdc n MET 111 N -1.49 3.16 0.00 -0.78 2.81 -0.41 -4.48 117.12 115.93 3gdc n MET 111 Ca 0.04 -2.64 0.12 0.00 -1.81 0.00 0.00 57.70 53.40 3gdc n MET 111 Cb 0.18 -1.71 0.17 0.00 -0.71 0.00 0.00 33.22 31.15 3gdc n MET 111 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3gdc n ASP 112 N 0.09 0.59 -1.70 7.83 2.03 -1.08 -4.79 116.55 119.53 3gdc n ASP 112 Ca 0.20 -0.35 -0.14 0.00 0.52 0.00 0.00 54.79 55.02 3gdc n ASP 112 Cb 0.78 0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.58 3gdc n ASP 112 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gdc n GLY 113 N 1.48 -0.17 3.53 0.27 0.00 -1.25 -4.31 105.19 104.75 3gdc n GLY 113 Ca 0.05 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3gdc n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdc s THR 114 N -2.76 4.57 0.27 2.61 2.01 -1.26 -4.36 115.64 116.72 3gdc s THR 114 Ca 0.06 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 3gdc s THR 114 Cb -0.03 -3.11 -0.13 0.00 0.01 0.00 0.00 72.50 69.24 3gdc s THR 114 CO 0.07 0.38 1.31 -2.65 -0.69 0.00 0.00 174.62 173.04 3gdc n PRO 115 N 4.40 1.91 0.00 4.92 -0.02 -1.26 -1.74 135.00 143.21 3gdc n PRO 115 Ca -0.16 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3gdc n PRO 115 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3gdc n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdc n GLY 116 N 1.68 1.71 3.25 -1.23 0.00 -1.26 -4.91 105.19 104.42 3gdc n GLY 116 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3gdc n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 117 N -2.35 2.68 0.00 -0.61 1.01 -0.71 -4.96 121.20 116.27 3gdc s ILE 117 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3gdc s ILE 117 Cb 0.00 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.32 3gdc s ILE 117 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3gdc n GLY 118 N 4.31 2.93 0.28 6.18 0.00 -1.26 -1.71 105.19 115.91 3gdc n GLY 118 Ca -0.19 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3gdc n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdc h ALA 119 N -0.79 1.60 -0.96 4.61 0.00 -1.92 -3.47 119.26 118.33 3gdc h ALA 119 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gdc h ALA 119 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gdc h ALA 119 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3gdc n GLY 120 N -1.23 3.16 3.74 0.00 0.00 -0.69 -4.70 105.19 105.47 3gdc n GLY 120 Ca -0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3gdc n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdc s SER 121 N -4.00 6.35 -0.35 1.61 0.01 -1.26 -4.67 113.70 111.39 3gdc s SER 121 Ca 0.00 2.95 -0.15 0.00 1.31 0.00 0.00 55.95 60.06 3gdc s SER 121 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 3gdc s SER 121 CO 0.00 -0.95 0.35 -0.63 0.41 0.00 0.00 173.24 172.42 3gdc s ILE 122 N 0.38 5.18 0.67 1.44 -1.09 -0.11 -4.95 121.20 122.72 3gdc s ILE 122 Ca 0.67 -0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.91 3gdc s ILE 122 Cb -0.49 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.57 3gdc s ILE 122 CO 0.43 -0.11 1.10 0.00 -1.23 0.00 0.00 174.94 175.12 3gdc s ALA 123 N 1.97 2.48 0.10 9.38 0.00 -1.26 -1.64 121.76 132.79 3gdc s ALA 123 Ca 0.11 0.45 -0.35 0.00 0.00 0.00 0.00 51.96 52.16 3gdc s ALA 123 Cb -0.17 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 3gdc s ALA 123 CO 0.12 -1.30 1.49 -2.30 0.00 0.00 0.00 175.76 173.77 3gdc n PRO 124 N -2.61 1.65 -0.06 0.00 -0.02 -1.26 -1.15 135.00 131.55 3gdc n PRO 124 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3gdc n PRO 124 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3gdc n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdc n GLY 125 N 3.08 1.35 3.91 -1.23 0.00 0.17 -5.03 105.19 107.43 3gdc n GLY 125 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3gdc n GLY 125 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdc s GLN 126 N -0.52 3.10 0.09 1.61 -0.21 -0.30 -4.85 119.66 118.57 3gdc s GLN 126 Ca 0.00 -0.99 0.04 0.00 0.02 0.00 0.00 55.36 54.44 3gdc s GLN 126 Cb 0.00 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.27 3gdc s GLN 126 CO 0.00 0.30 -0.12 -1.12 -2.12 0.00 0.00 175.29 172.23 3gdc s SER 127 N -3.97 1.53 -0.18 5.90 0.01 -1.26 -1.12 113.70 114.61 3gdc s SER 127 Ca 0.37 -0.72 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 3gdc s SER 127 Cb -0.08 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.18 3gdc s SER 127 CO 0.28 -0.18 0.47 0.12 0.41 0.00 0.00 173.24 174.34 3gdc s PHE 128 N -1.88 -0.55 -0.37 2.43 5.36 0.10 -5.01 117.98 118.06 3gdc s PHE 128 Ca 0.02 1.30 -0.14 0.00 -0.96 0.00 0.00 56.93 57.15 3gdc s PHE 128 Cb -0.06 0.21 -0.00 0.00 -0.34 0.00 0.00 43.02 42.82 3gdc s PHE 128 CO 0.01 -0.27 0.29 0.99 -1.46 0.00 0.00 175.22 174.78 3gdc s THR 129 N 0.46 5.25 0.05 0.12 2.01 -1.26 -0.65 115.64 121.61 3gdc s THR 129 Ca -0.02 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3gdc s THR 129 Cb -0.04 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3gdc s THR 129 CO -0.02 -0.15 1.00 -0.31 -0.69 0.00 0.00 174.62 174.45 3gdc s TYR 130 N 1.77 3.68 -0.04 4.92 2.02 -0.05 -4.89 117.35 124.77 3gdc s TYR 130 Ca 0.07 1.69 0.02 0.00 -0.37 0.00 0.00 57.07 58.48 3gdc s TYR 130 Cb -0.18 -3.13 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 3gdc s TYR 130 CO 0.11 -0.08 -0.08 -1.21 -1.57 0.00 0.00 175.55 172.72 3gdc s GLU 131 N 0.64 1.09 0.14 -0.62 2.02 -1.26 -0.35 118.70 120.36 3gdc s GLU 131 Ca 0.51 -0.25 -0.25 0.00 0.02 0.00 0.00 54.97 55.00 3gdc s GLU 131 Cb -0.23 -0.99 0.07 0.00 0.10 0.00 0.00 34.13 33.08 3gdc s GLU 131 CO 0.29 0.01 1.01 -0.59 0.02 0.00 0.00 175.26 176.00 3gdc s PHE 132 N 0.59 -0.09 0.30 1.61 -0.12 -1.02 -4.81 117.98 114.45 3gdc s PHE 132 Ca -0.10 -0.21 -0.07 0.00 -0.05 0.00 0.00 56.93 56.51 3gdc s PHE 132 Cb -0.13 0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 42.84 3gdc s PHE 132 CO 0.01 -0.78 0.59 -0.51 -0.05 0.00 0.00 175.22 174.48 3gdc s ASP 133 N -3.01 6.49 -1.00 1.98 1.01 -1.26 -0.28 116.67 120.60 3gdc s ASP 133 Ca 0.14 0.83 -0.23 0.00 0.71 0.00 0.00 52.55 53.99 3gdc s ASP 133 Cb -0.01 -2.19 0.03 0.00 1.01 0.00 0.00 42.92 41.76 3gdc s ASP 133 CO 0.02 -0.21 1.57 0.00 0.21 0.00 0.00 175.17 176.76 3gdc s ALA 134 N -2.09 2.49 -0.07 5.23 0.00 0.21 -4.80 121.76 122.73 3gdc s ALA 134 Ca 0.46 -2.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.13 3gdc s ALA 134 Cb -0.11 -4.54 0.04 0.00 0.00 0.00 0.00 23.12 18.51 3gdc s ALA 134 CO 0.29 -3.89 0.42 0.99 0.00 0.00 0.00 175.76 173.57 3gdc s THR 135 N 6.12 0.03 0.86 0.00 2.01 -1.26 -0.87 115.64 122.52 3gdc s THR 135 Ca 0.52 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 3gdc s THR 135 Cb -0.01 -0.69 0.11 0.00 0.01 0.00 0.00 72.50 71.92 3gdc s THR 135 CO -0.07 -0.13 1.14 -2.16 -0.69 0.00 0.00 174.62 172.71 3gdc s PRO 136 N -0.78 1.59 0.58 4.92 0.04 -1.26 -1.58 135.00 138.50 3gdc s PRO 136 Ca -0.09 0.29 -0.20 0.00 0.04 0.00 0.00 61.00 61.05 3gdc s PRO 136 Cb -0.04 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3gdc s PRO 136 CO 0.04 -1.89 1.30 -0.59 0.04 0.00 0.00 177.00 175.90 3gdc s PHE 137 N -3.35 2.28 -5.00 0.56 -0.12 -1.26 -4.84 117.98 106.25 3gdc s PHE 137 Ca 0.63 1.44 0.00 0.00 -0.05 0.00 0.00 56.93 58.95 3gdc s PHE 137 Cb -0.13 -3.69 0.00 0.00 -0.63 0.00 0.00 43.02 38.57 3gdc s PHE 137 CO 0.52 -2.70 0.00 0.41 -0.05 0.00 0.00 175.22 173.40 3gdc n GLY 138 N 0.72 -0.09 3.38 1.99 0.00 -0.13 -4.39 105.19 106.67 3gdc n GLY 138 Ca 0.12 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 3gdc n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gdc s THR 139 N -2.42 4.03 0.00 2.61 2.01 0.42 -1.11 115.64 121.18 3gdc s THR 139 Ca 0.00 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.51 3gdc s THR 139 Cb 0.00 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.53 3gdc s THR 139 CO 0.00 0.20 0.00 1.41 -0.69 0.00 0.00 174.62 175.54 3gdc n HIS 140 N 4.88 0.00 -3.86 4.92 8.25 0.11 -4.65 115.22 124.88 3gdc n HIS 140 Ca -0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.23 3gdc n HIS 140 Cb 0.49 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 3gdc n HIS 140 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 3gdc s LEU 141 N 0.00 -0.19 0.03 2.41 2.34 -1.26 -1.42 118.68 120.60 3gdc s LEU 141 Ca 0.00 -0.63 -0.02 0.00 0.06 0.00 0.00 54.13 53.54 3gdc s LEU 141 Cb 0.00 2.58 -0.02 0.00 -0.56 0.00 0.00 46.19 48.19 3gdc s LEU 141 CO 0.00 -1.30 0.01 -0.72 -1.06 0.00 0.00 176.35 173.28 3gdc s TYR 142 N -3.93 0.31 0.19 3.48 -0.85 -0.19 -0.45 117.35 115.92 3gdc s TYR 142 Ca 0.12 -0.66 -0.23 0.00 -0.52 0.00 0.00 57.07 55.77 3gdc s TYR 142 Cb -0.05 -0.23 0.05 0.00 0.38 0.00 0.00 41.96 42.11 3gdc s TYR 142 CO 0.06 -0.30 0.76 -3.38 -1.52 0.00 0.00 175.55 171.17 3gdc s HIS 143 N -2.50 -0.29 0.46 -3.49 -3.43 -0.19 -1.34 115.29 104.52 3gdc s HIS 143 Ca -0.06 -0.04 -0.23 0.00 -0.80 0.00 0.00 55.06 53.93 3gdc s HIS 143 Cb -0.02 0.64 -0.07 0.00 -1.43 0.00 0.00 32.58 31.69 3gdc s HIS 143 CO -0.05 -0.98 1.16 0.00 -2.00 0.00 0.00 174.74 172.87 3gdc n HIS 145 N -0.51 0.00 -2.33 0.00 -0.00 -1.26 -4.60 115.22 106.52 3gdc n HIS 145 Ca 0.07 -0.89 -0.40 0.00 0.46 0.00 0.00 57.72 56.97 3gdc n HIS 145 Cb 0.48 -0.14 -0.03 0.00 -0.12 0.00 0.00 29.99 30.18 3gdc n HIS 145 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 3gdc s GLN 146 N -2.48 4.39 0.18 1.57 2.00 -1.26 -4.51 119.66 119.54 3gdc s GLN 146 Ca 0.28 1.91 -0.18 0.00 -2.00 0.00 0.00 55.36 55.37 3gdc s GLN 146 Cb 0.25 -2.99 -0.08 0.00 0.80 0.00 0.00 33.01 30.99 3gdc s GLN 146 CO 0.02 -0.05 0.65 -1.12 -0.50 0.00 0.00 175.29 174.29 3gdc s SER 147 N -0.87 6.97 0.08 6.67 0.01 -1.26 -3.34 113.70 121.96 3gdc s SER 147 Ca 0.50 1.28 -0.31 0.00 1.31 0.00 0.00 55.95 58.73 3gdc s SER 147 Cb -0.33 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 3gdc s SER 147 CO 0.43 0.07 1.40 -2.16 0.41 0.00 0.00 173.24 173.40 3gdc s PRO 148 N -1.91 4.31 0.22 12.44 0.04 -1.26 -5.06 135.00 143.77 3gdc s PRO 148 Ca 0.40 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 3gdc s PRO 148 Cb -0.16 -3.36 0.29 0.00 0.04 0.00 0.00 34.50 31.31 3gdc s PRO 148 CO 0.20 -0.49 1.80 -0.07 0.04 0.00 0.00 177.00 178.48 3gdc h LEU 149 N 7.31 0.53 0.60 -3.56 -0.00 -1.92 -3.17 115.31 115.10 3gdc h LEU 149 Ca -0.41 0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.48 3gdc h LEU 149 Cb 1.20 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.81 3gdc h LEU 149 CO 0.88 0.33 -0.29 0.00 -0.00 0.00 0.00 178.44 179.35 3gdc h ALA 150 N 1.39 -0.81 -0.14 1.53 0.00 -1.99 -2.50 119.26 116.73 3gdc h ALA 150 Ca 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gdc h ALA 150 Cb 0.26 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3gdc h ALA 150 CO -0.22 -0.95 -0.09 -1.00 0.00 0.00 0.00 179.25 176.99 3gdc h PRO 151 N -0.83 0.22 -0.08 0.00 0.13 -1.95 0.17 132.00 129.66 3gdc h PRO 151 Ca -0.08 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.92 3gdc h PRO 151 Cb 0.63 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3gdc h PRO 151 CO 0.14 0.33 -0.34 0.45 -0.23 0.00 0.00 178.00 178.35 3gdc h HIS 152 N 0.21 0.17 0.02 1.56 3.86 -1.48 0.11 115.15 119.61 3gdc h HIS 152 Ca 0.05 -0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 3gdc h HIS 152 Cb 0.31 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3gdc h HIS 152 CO 0.00 0.48 -0.74 0.82 0.86 0.00 0.00 177.93 179.35 3gdc h ILE 153 N 0.14 1.31 0.00 2.45 2.04 -1.28 -3.31 117.51 118.85 3gdc h ILE 153 Ca 0.02 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.55 3gdc h ILE 153 Cb 0.67 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 3gdc h ILE 153 CO 0.05 0.49 -0.18 0.00 0.00 0.00 0.00 178.15 178.51 3gdc h ALA 154 N -0.22 1.56 0.00 1.87 0.00 -0.56 -1.95 119.26 119.96 3gdc h ALA 154 Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gdc h ALA 154 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gdc h ALA 154 CO -0.08 0.22 0.00 1.63 0.00 0.00 0.00 179.25 181.02 3gdc n LYS 155 N -4.12 0.01 0.00 0.00 4.76 0.39 -4.80 118.16 114.41 3gdc n LYS 155 Ca -0.02 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3gdc n LYS 155 Cb 0.25 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3gdc n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdc n GLY 156 N 0.26 -0.05 3.45 0.72 0.00 -0.74 -0.85 105.19 107.98 3gdc n GLY 156 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3gdc n GLY 156 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdc n LEU 157 N 0.00 5.24 -3.44 0.99 4.77 -0.99 -4.51 117.00 119.06 3gdc n LEU 157 Ca 0.00 -4.05 -0.13 0.00 -0.03 0.00 0.00 56.01 51.80 3gdc n LEU 157 Cb 0.00 -1.71 -0.03 0.00 -2.33 0.00 0.00 43.42 39.35 3gdc n LEU 157 CO 0.00 0.38 0.40 -0.72 -1.33 0.00 0.00 177.39 176.12 3gdc s TYR 158 N 3.58 -0.56 0.21 -1.77 -0.85 -1.26 -1.94 117.35 114.76 3gdc s TYR 158 Ca 0.51 0.48 -0.22 0.00 -0.52 0.00 0.00 57.07 57.31 3gdc s TYR 158 Cb 0.04 0.53 0.06 0.00 0.38 0.00 0.00 41.96 42.97 3gdc s TYR 158 CO 0.05 -0.80 0.91 0.20 -1.52 0.00 0.00 175.55 174.38 3gdc s GLY 159 N -2.46 -0.06 0.39 5.49 0.00 -0.45 0.29 107.32 110.52 3gdc s GLY 159 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 3gdc s GLY 159 CO -0.09 0.38 0.75 -0.32 0.00 0.00 0.00 173.10 173.83 3gdc s GLY 160 N -3.04 1.93 -0.23 0.20 0.00 -1.25 -1.02 107.32 103.90 3gdc s GLY 160 Ca 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 3gdc s GLY 160 CO 0.05 -0.06 0.17 -0.12 0.00 0.00 0.00 173.10 173.14 3gdc s PHE 161 N -2.35 -0.00 -0.20 1.90 5.36 -0.51 -1.08 117.98 121.10 3gdc s PHE 161 Ca 0.50 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 56.12 3gdc s PHE 161 Cb -0.10 -0.62 -0.03 0.00 -0.34 0.00 0.00 43.02 41.93 3gdc s PHE 161 CO 0.31 -0.69 0.01 0.42 -1.46 0.00 0.00 175.22 173.81 3gdc s ILE 162 N 2.21 4.01 -0.29 3.12 -1.09 0.11 0.09 121.20 129.37 3gdc s ILE 162 Ca 0.06 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.21 3gdc s ILE 162 Cb -0.16 -2.82 0.07 0.00 -1.58 0.00 0.00 42.46 37.97 3gdc s ILE 162 CO -0.22 0.43 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.20 3gdc s VAL 163 N 0.99 2.46 0.08 2.92 1.01 -0.27 -0.73 120.40 126.86 3gdc s VAL 163 Ca 0.02 -1.73 -0.31 0.00 0.00 0.00 0.00 61.98 59.96 3gdc s VAL 163 Cb -0.14 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 3gdc s VAL 163 CO 0.02 -0.19 1.28 -0.70 0.00 0.00 0.00 175.10 175.51 3gdc s GLU 164 N 1.11 4.38 0.38 2.72 2.56 -0.05 -0.96 118.70 128.85 3gdc s GLU 164 Ca -0.03 1.90 -0.27 0.00 0.00 0.00 0.00 54.97 56.56 3gdc s GLU 164 Cb -0.20 -3.31 -0.11 0.00 2.00 0.00 0.00 34.13 32.51 3gdc s GLU 164 CO -0.04 -0.34 1.38 -0.35 -0.56 0.00 0.00 175.26 175.35 3gdc n PRO 165 N 3.96 2.32 -0.33 4.30 -0.04 -1.26 -0.38 135.00 143.58 3gdc n PRO 165 Ca 0.10 0.82 -0.02 0.00 -0.04 0.00 0.00 63.50 64.35 3gdc n PRO 165 Cb 0.45 -2.51 0.10 0.00 -0.04 0.00 0.00 33.50 31.50 3gdc n PRO 165 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3gdc h LYS 166 N 2.59 1.12 -3.45 0.54 1.63 -1.95 -3.44 116.57 113.62 3gdc h LYS 166 Ca -0.49 -0.07 -0.28 0.00 -0.85 0.00 0.00 60.65 58.96 3gdc h LYS 166 Cb 1.27 -0.25 -0.33 0.00 -0.60 0.00 0.00 32.23 32.31 3gdc h LYS 166 CO 0.62 0.74 -0.69 -1.21 -3.45 0.00 0.00 179.45 175.46 3gdc s GLU 167 N -6.11 -0.00 0.00 1.90 2.02 -1.26 -4.97 118.70 110.27 3gdc s GLU 167 Ca -0.13 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.10 3gdc s GLU 167 Cb 0.17 -0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.17 3gdc s GLU 167 CO 0.80 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.32 3gdc n GLY 168 N 4.17 0.72 3.24 -1.39 0.00 -1.26 -5.11 105.19 105.56 3gdc n GLY 168 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 3gdc n GLY 168 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gdc s ARG 169 N 0.00 2.55 0.45 1.61 3.52 -1.26 -5.01 118.95 120.81 3gdc s ARG 169 Ca 0.00 -1.25 -0.23 0.00 -0.13 0.00 0.00 55.73 54.12 3gdc s ARG 169 Cb 0.00 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 3gdc s ARG 169 CO 0.00 -0.70 0.98 -2.30 -0.81 0.00 0.00 175.30 172.48 3gdc n PRO 170 N 4.77 1.26 -2.16 5.12 -0.02 -1.26 -4.89 135.00 137.82 3gdc n PRO 170 Ca -0.12 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3gdc n PRO 170 Cb 0.44 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3gdc n PRO 170 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gdc s PRO 171 N -2.11 4.35 0.28 0.52 0.04 -1.26 -5.00 135.00 131.82 3gdc s PRO 171 Ca 0.65 2.12 -0.15 0.00 0.04 0.00 0.00 61.00 63.66 3gdc s PRO 171 Cb -0.53 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 30.74 3gdc s PRO 171 CO 0.55 -0.33 0.69 0.00 0.04 0.00 0.00 177.00 177.96 3gdc s ALA 172 N 0.32 3.39 0.03 8.56 0.00 -1.26 -4.98 121.76 127.82 3gdc s ALA 172 Ca 0.59 0.00 0.12 0.00 0.00 0.00 0.00 51.96 52.67 3gdc s ALA 172 Cb -0.38 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.06 3gdc s ALA 172 CO 0.37 0.37 1.41 -0.44 0.00 0.00 0.00 175.76 177.47 3gdc h ASP 173 N 2.54 0.00 -2.07 0.00 3.32 -1.27 -3.43 116.42 115.51 3gdc h ASP 173 Ca -0.48 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 3gdc h ASP 173 Cb 1.18 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 3gdc h ASP 173 CO 0.66 0.72 -0.54 -0.62 -1.72 0.00 0.00 179.24 177.74 3gdc s ASP 174 N -6.60 0.70 -0.10 6.45 -1.08 -0.87 -4.98 116.67 110.20 3gdc s ASP 174 Ca 0.02 -0.05 -0.03 0.00 -0.52 0.00 0.00 52.55 51.98 3gdc s ASP 174 Cb 0.09 0.86 -0.03 0.00 -1.46 0.00 0.00 42.92 42.38 3gdc s ASP 174 CO 0.77 -0.32 0.01 -0.70 0.52 0.00 0.00 175.17 175.45 3gdc s GLU 175 N 2.47 3.15 0.16 4.34 2.12 -1.26 -1.27 118.70 128.42 3gdc s GLU 175 Ca 0.11 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.95 3gdc s GLU 175 Cb -0.15 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 3gdc s GLU 175 CO -0.18 0.62 0.27 0.00 -0.54 0.00 0.00 175.26 175.43 3gdc s MET 176 N -0.65 1.14 -0.04 4.30 0.23 -0.01 -4.76 119.30 119.51 3gdc s MET 176 Ca 0.11 -1.20 0.05 0.00 -1.03 0.00 0.00 55.69 53.61 3gdc s MET 176 Cb -0.12 0.37 -0.00 0.00 -1.53 0.00 0.00 34.83 33.54 3gdc s MET 176 CO 0.02 -0.41 -0.18 0.54 -2.03 0.00 0.00 175.02 172.96 3gdc s VAL 177 N -3.98 1.50 -0.18 5.16 0.11 0.36 -0.43 120.40 122.94 3gdc s VAL 177 Ca 0.18 -0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 3gdc s VAL 177 Cb 0.04 -1.28 0.05 0.00 -1.53 0.00 0.00 36.38 33.65 3gdc s VAL 177 CO 0.00 0.43 -0.02 -0.04 -3.33 0.00 0.00 175.10 172.14 3gdc s MET 178 N -0.02 1.16 -0.26 1.54 -1.94 0.10 -4.34 119.30 115.54 3gdc s MET 178 Ca -0.03 -0.52 -0.08 0.00 -1.71 0.00 0.00 55.69 53.35 3gdc s MET 178 Cb -0.11 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.64 3gdc s MET 178 CO 0.02 -0.52 0.10 0.08 -0.01 0.00 0.00 175.02 174.69 3gdc s VAL 179 N 1.69 4.44 -0.22 -6.03 1.01 -1.26 -0.88 120.40 119.15 3gdc s VAL 179 Ca -0.01 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 3gdc s VAL 179 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3gdc s VAL 179 CO -0.07 0.28 0.44 -0.04 0.00 0.00 0.00 175.10 175.70 3gdc s MET 180 N 1.62 4.15 0.24 2.72 -1.94 -0.03 -0.31 119.30 125.75 3gdc s MET 180 Ca 0.06 0.25 0.04 0.00 -1.71 0.00 0.00 55.69 54.33 3gdc s MET 180 Cb -0.16 -3.57 -0.02 0.00 2.01 0.00 0.00 34.83 33.10 3gdc s MET 180 CO 0.05 -0.13 0.15 0.27 -0.01 0.00 0.00 175.02 175.35 3gdc n ASN 181 N 4.78 0.10 -4.04 3.03 0.23 -0.64 -1.46 115.26 117.27 3gdc n ASN 181 Ca -0.07 -2.44 -0.08 0.00 -0.53 0.00 0.00 54.58 51.46 3gdc n ASN 181 Cb 0.51 0.95 -0.10 0.00 -2.08 0.00 0.00 39.78 39.06 3gdc n ASN 181 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3gdc s GLY 182 N -2.58 0.37 -0.17 4.83 0.00 -1.26 -2.01 107.32 106.49 3gdc s GLY 182 Ca 0.22 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 44.00 3gdc s GLY 182 CO 0.15 -1.05 -0.14 -0.19 0.00 0.00 0.00 173.10 171.88 3gdc s TYR 183 N -3.00 2.43 -0.60 1.90 2.02 0.52 -4.87 117.35 115.75 3gdc s TYR 183 Ca -0.02 -1.47 -0.18 0.00 -0.37 0.00 0.00 57.07 55.03 3gdc s TYR 183 Cb 0.01 -1.70 0.11 0.00 -0.40 0.00 0.00 41.96 39.99 3gdc s TYR 183 CO -0.07 -0.73 0.68 1.21 -1.57 0.00 0.00 175.55 175.07 3gdc s ASN 184 N 1.40 6.21 0.01 2.29 3.84 -1.26 -0.55 114.94 126.88 3gdc s ASN 184 Ca 0.03 -1.56 0.20 0.00 0.21 0.00 0.00 52.86 51.73 3gdc s ASN 184 Cb -0.14 -2.28 -0.20 0.00 -0.55 0.00 0.00 41.25 38.07 3gdc s ASN 184 CO -0.10 -1.05 0.61 0.35 -2.79 0.00 0.00 177.10 174.12 3gdc n THR 185 N 5.44 0.68 -0.76 -5.21 -2.24 -1.26 -4.51 114.28 106.41 3gdc n THR 185 Ca -0.09 -0.62 0.07 0.00 -2.27 0.00 0.00 64.05 61.14 3gdc n THR 185 Cb 0.42 -0.34 0.11 0.00 -2.10 0.00 0.00 70.33 68.42 3gdc n THR 185 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdc n ASP 186 N -2.59 2.33 -0.00 3.42 5.68 -1.26 -5.08 116.55 119.05 3gdc n ASP 186 Ca -0.10 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 3gdc n ASP 186 Cb 0.74 -0.31 -0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3gdc n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdc n GLY 187 N -1.11 -2.13 7.00 6.12 0.00 -1.26 -5.07 105.19 108.74 3gdc n GLY 187 Ca 0.12 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3gdc n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdc n GLY 188 N -0.15 -1.51 1.04 -0.02 0.00 -1.26 -4.37 105.19 98.92 3gdc n GLY 188 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3gdc n GLY 188 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gdc n ASP 189 N 0.01 2.91 -4.18 1.61 5.75 -1.26 -5.00 116.55 116.39 3gdc n ASP 189 Ca 0.00 -3.51 -0.18 0.00 -0.01 0.00 0.00 54.79 51.09 3gdc n ASP 189 Cb 0.00 -0.60 -0.12 0.00 -1.03 0.00 0.00 41.12 39.37 3gdc n ASP 189 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 3gdc s ASP 190 N -2.36 1.70 0.17 -1.12 -4.77 -1.26 -4.81 116.67 104.23 3gdc s ASP 190 Ca 0.43 -0.67 -0.10 0.00 -3.30 0.00 0.00 52.55 48.92 3gdc s ASP 190 Cb 0.38 -0.05 -0.07 0.00 -1.09 0.00 0.00 42.92 42.10 3gdc s ASP 190 CO 0.03 -0.11 0.49 0.20 0.70 0.00 0.00 175.17 176.49 3gdc s ASN 191 N -1.92 6.64 -0.12 2.11 0.02 -1.26 -4.57 114.94 115.84 3gdc s ASN 191 Ca 0.00 0.87 0.13 0.00 -1.02 0.00 0.00 52.86 52.84 3gdc s ASN 191 Cb -0.08 -2.21 -0.18 0.00 0.02 0.00 0.00 41.25 38.80 3gdc s ASN 191 CO 0.02 0.03 0.09 -0.62 0.02 0.00 0.00 177.10 176.64 3gdc n GLU 192 N 0.27 1.51 -4.17 -0.60 4.71 0.29 -4.96 120.64 117.69 3gdc n GLU 192 Ca -0.03 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.16 56.99 3gdc n GLU 192 Cb 0.52 -1.36 -0.10 0.00 -1.01 0.00 0.00 31.44 29.49 3gdc n GLU 192 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3gdc s PHE 193 N -2.45 0.88 0.05 -0.32 0.08 -1.03 -4.94 117.98 110.25 3gdc s PHE 193 Ca -0.07 -1.03 0.02 0.00 0.12 0.00 0.00 56.93 55.96 3gdc s PHE 193 Cb 0.05 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.95 3gdc s PHE 193 CO 0.58 -0.29 -0.06 0.71 -0.10 0.00 0.00 175.22 176.06 3gdc s TYR 194 N -3.78 0.63 0.16 0.36 2.02 -0.32 -0.35 117.35 116.07 3gdc s TYR 194 Ca 0.16 -0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 56.12 3gdc s TYR 194 Cb 0.06 -0.38 0.01 0.00 -0.40 0.00 0.00 41.96 41.25 3gdc s TYR 194 CO -0.03 -0.13 0.38 -1.54 -1.57 0.00 0.00 175.55 172.66 3gdc s SER 195 N -1.89 -0.09 -0.19 2.29 1.04 -0.85 -3.17 113.70 110.84 3gdc s SER 195 Ca -0.06 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 3gdc s SER 195 Cb -0.06 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3gdc s SER 195 CO -0.01 -0.93 -0.06 0.54 0.98 0.00 0.00 173.24 173.75 3gdc s VAL 196 N -3.90 3.42 -1.53 5.02 0.11 -1.26 -1.62 120.40 120.63 3gdc s VAL 196 Ca 0.11 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3gdc s VAL 196 Cb 0.02 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 3gdc s VAL 196 CO -0.03 0.46 0.00 0.59 -3.33 0.00 0.00 175.10 172.79 3gdc n ASN 197 N 4.23 -4.75 0.00 3.54 3.02 0.58 -4.24 115.26 117.64 3gdc n ASN 197 Ca -0.18 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3gdc n ASN 197 Cb 0.52 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 3gdc n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gdc n GLY 198 N -1.14 1.37 2.97 7.41 0.00 -1.26 -4.07 105.19 110.48 3gdc n GLY 198 Ca -0.15 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 3gdc n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gdc s LEU 199 N 0.00 1.60 0.09 0.99 1.43 -1.26 -4.94 118.68 116.59 3gdc s LEU 199 Ca 0.00 -0.50 -0.36 0.00 -1.03 0.00 0.00 54.13 52.23 3gdc s LEU 199 Cb 0.00 -1.05 -0.17 0.00 0.03 0.00 0.00 46.19 45.00 3gdc s LEU 199 CO 0.00 -0.10 1.31 -2.65 0.23 0.00 0.00 176.35 175.14 3gdc n PRO 200 N 4.83 1.10 -1.00 1.29 -0.02 -1.26 -2.16 135.00 137.77 3gdc n PRO 200 Ca -0.15 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3gdc n PRO 200 Cb 0.49 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3gdc n PRO 200 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gdc n PHE 201 N 2.38 0.00 -0.26 6.00 3.72 -0.12 -4.67 117.46 124.52 3gdc n PHE 201 Ca 0.18 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.61 3gdc n PHE 201 Cb 0.19 -1.71 0.16 0.00 -0.94 0.00 0.00 39.48 37.18 3gdc n PHE 201 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3gdc h HIS 202 N 0.00 0.64 -0.00 1.38 -0.00 -1.69 -1.44 115.15 114.04 3gdc h HIS 202 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3gdc h HIS 202 Cb 0.85 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 3gdc h HIS 202 CO 0.54 0.20 0.00 1.19 -0.00 0.00 0.00 177.93 179.85 3gdc n PHE 203 N -4.88 0.00 0.00 5.26 3.72 -1.26 -0.73 117.46 119.56 3gdc n PHE 203 Ca 0.13 -0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.35 3gdc n PHE 203 Cb 0.33 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.77 3gdc n PHE 203 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3gdc h MET 204 N 0.30 0.51 0.00 -1.08 2.86 -1.40 -0.75 114.93 115.38 3gdc h MET 204 Ca 0.00 -0.50 -0.25 0.00 -2.06 0.00 0.00 59.70 56.89 3gdc h MET 204 Cb 0.06 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3gdc h MET 204 CO 0.00 1.14 -1.33 -0.44 1.06 0.00 0.00 176.91 177.34 3gdc h ASP 205 N 0.08 0.00 -2.51 1.22 3.32 -1.38 -3.40 116.42 113.75 3gdc h ASP 205 Ca -0.07 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.38 3gdc h ASP 205 Cb 1.34 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.49 3gdc h ASP 205 CO 0.13 1.00 -0.79 0.49 -1.72 0.00 0.00 179.24 178.36 3gdc n PHE 206 N -3.21 1.50 -1.49 4.55 3.72 0.09 -5.12 117.46 117.50 3gdc n PHE 206 Ca -0.08 -3.86 -0.36 0.00 -0.05 0.00 0.00 57.45 53.10 3gdc n PHE 206 Cb 0.99 -0.31 0.08 0.00 -0.94 0.00 0.00 39.48 39.30 3gdc n PHE 206 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3gdc n PRO 207 N 1.90 0.71 -2.18 -1.08 -0.02 -1.21 -4.35 135.00 128.77 3gdc n PRO 207 Ca 0.25 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 3gdc n PRO 207 Cb 0.43 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3gdc n PRO 207 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gdc s VAL 208 N -1.66 3.78 -0.24 -1.45 1.01 0.18 -4.72 120.40 117.31 3gdc s VAL 208 Ca 0.76 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.36 3gdc s VAL 208 Cb -0.37 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 3gdc s VAL 208 CO 0.47 -0.37 0.87 -0.54 0.00 0.00 0.00 175.10 175.54 3gdc s LYS 209 N 4.65 4.20 0.21 2.72 1.02 -1.26 -0.65 119.74 130.63 3gdc s LYS 209 Ca 0.68 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.73 3gdc s LYS 209 Cb -0.22 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 3gdc s LYS 209 CO 0.28 -0.53 0.00 0.14 -0.92 0.00 0.00 175.35 174.32 3gdc s VAL 210 N 2.89 0.86 -0.11 3.17 -7.23 -0.75 -4.97 120.40 114.25 3gdc s VAL 210 Ca 0.37 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 3gdc s VAL 210 Cb -0.15 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3gdc s VAL 210 CO 0.07 -0.36 0.02 -0.54 -0.31 0.00 0.00 175.10 173.98 3gdc s LYS 211 N -3.89 3.29 0.16 4.82 1.02 -1.26 -1.40 119.74 122.48 3gdc s LYS 211 Ca 0.27 -0.38 -0.34 0.00 0.02 0.00 0.00 55.97 55.54 3gdc s LYS 211 Cb 0.06 -2.92 -0.15 0.00 -0.52 0.00 0.00 37.83 34.29 3gdc s LYS 211 CO 0.07 0.57 1.27 0.94 -0.92 0.00 0.00 175.35 177.29 3gdc n GLN 212 N 2.55 1.36 0.00 1.68 7.27 0.03 -2.21 117.38 128.07 3gdc n GLN 212 Ca -0.18 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.37 3gdc n GLN 212 Cb 0.53 -2.06 0.00 0.00 2.41 0.00 0.00 30.24 31.12 3gdc n GLN 212 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3gdc n HIS 213 N 1.95 0.00 -2.38 3.69 8.25 0.19 -4.95 115.22 121.97 3gdc n HIS 213 Ca 0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.26 3gdc n HIS 213 Cb 0.24 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 3gdc n HIS 213 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3gdc s GLU 214 N 0.00 3.71 -0.42 -0.41 2.02 -0.94 -4.78 118.70 117.89 3gdc s GLU 214 Ca 0.00 1.57 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 3gdc s GLU 214 Cb 0.00 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 32.02 3gdc s GLU 214 CO 0.00 -0.54 1.25 -1.17 0.02 0.00 0.00 175.26 174.82 3gdc s LEU 215 N -3.32 3.67 -0.20 1.80 2.96 -1.26 -4.19 118.68 118.15 3gdc s LEU 215 Ca 0.66 0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 55.22 3gdc s LEU 215 Cb -0.23 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 3gdc s LEU 215 CO 0.27 -1.26 0.12 -0.69 -1.32 0.00 0.00 176.35 173.47 3gdc s VAL 216 N 4.72 5.27 -0.16 1.68 1.01 0.59 -0.68 120.40 132.83 3gdc s VAL 216 Ca 0.54 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.66 3gdc s VAL 216 Cb -0.11 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3gdc s VAL 216 CO 0.30 0.44 -0.16 -0.60 0.00 0.00 0.00 175.10 175.07 3gdc s ARG 217 N 0.42 2.52 -0.14 2.72 3.52 -0.39 -1.38 118.95 126.21 3gdc s ARG 217 Ca 0.07 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3gdc s ARG 217 Cb -0.11 -2.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 3gdc s ARG 217 CO -0.01 -0.24 -0.13 0.42 -0.81 0.00 0.00 175.30 174.53 3gdc s ILE 218 N 1.41 3.00 -0.48 4.11 1.01 0.47 -0.83 121.20 129.89 3gdc s ILE 218 Ca 0.05 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3gdc s ILE 218 Cb -0.13 -2.27 0.04 0.00 0.01 0.00 0.00 42.46 40.11 3gdc s ILE 218 CO -0.11 0.51 0.67 -1.00 0.00 0.00 0.00 174.94 175.01 3gdc s HIS 219 N 0.54 3.02 -0.23 3.97 3.76 0.42 -0.57 115.29 126.21 3gdc s HIS 219 Ca -0.08 -0.24 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 3gdc s HIS 219 Cb -0.16 -3.50 -0.03 0.00 1.11 0.00 0.00 32.58 30.00 3gdc s HIS 219 CO 0.04 -0.99 0.06 -1.17 -0.85 0.00 0.00 174.74 171.82 3gdc s LEU 220 N 2.88 3.47 -0.07 0.89 2.96 0.06 -0.72 118.68 128.15 3gdc s LEU 220 Ca 0.21 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3gdc s LEU 220 Cb -0.16 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3gdc s LEU 220 CO 0.16 0.02 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.43 3gdc s ILE 221 N 1.29 1.36 -0.32 6.68 1.01 -0.06 -1.26 121.20 129.89 3gdc s ILE 221 Ca 0.05 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 3gdc s ILE 221 Cb -0.15 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 3gdc s ILE 221 CO 0.03 0.41 0.21 0.21 0.00 0.00 0.00 174.94 175.80 3gdc s ASN 222 N 0.59 5.95 0.00 3.58 2.47 -0.85 -0.85 114.94 125.83 3gdc s ASN 222 Ca -0.16 -0.36 0.09 0.00 0.42 0.00 0.00 52.86 52.85 3gdc s ASN 222 Cb -0.16 -2.11 0.20 0.00 -1.45 0.00 0.00 41.25 37.73 3gdc s ASN 222 CO 0.05 -0.19 1.09 1.33 -3.72 0.00 0.00 177.10 175.65 3gdc n VAL 223 N 5.07 0.72 -1.68 -5.21 0.24 -0.53 -1.72 118.33 115.22 3gdc n VAL 223 Ca -0.13 -0.86 -0.49 0.00 -2.04 0.00 0.00 64.34 60.82 3gdc n VAL 223 Cb 0.50 0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 3gdc n VAL 223 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3gdc n LEU 224 N 0.37 3.18 -4.93 1.34 7.94 -1.16 -4.83 117.00 118.92 3gdc n LEU 224 Ca 0.08 1.01 -0.25 0.00 -1.11 0.00 0.00 56.01 55.74 3gdc n LEU 224 Cb 0.35 -1.35 -0.01 0.00 0.53 0.00 0.00 43.42 42.93 3gdc n LEU 224 CO 0.06 -0.19 0.21 -0.70 -1.11 0.00 0.00 177.39 175.66 3gdc s GLU 225 N 3.22 3.52 0.00 1.96 2.56 -1.26 -4.58 118.70 124.12 3gdc s GLU 225 Ca 0.90 -0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.67 3gdc s GLU 225 Cb -0.74 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 32.76 3gdc s GLU 225 CO 0.50 0.13 0.00 0.66 -0.56 0.00 0.00 175.26 175.99 3gdc n TYR 226 N -1.64 0.00 -2.52 5.30 4.01 -1.26 -4.87 117.16 116.18 3gdc n TYR 226 Ca -0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 3gdc n TYR 226 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 3gdc n TYR 226 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gdc s ASP 227 N 0.00 7.22 0.46 7.72 1.01 -1.26 -4.96 116.67 126.86 3gdc s ASP 227 Ca 0.00 1.96 0.26 0.00 0.71 0.00 0.00 52.55 55.48 3gdc s ASP 227 Cb 0.00 -2.59 0.98 0.00 1.01 0.00 0.00 42.92 42.33 3gdc s ASP 227 CO 0.00 -0.32 1.85 1.55 0.21 0.00 0.00 175.17 178.46 3gdc h PRO 228 N 6.13 0.00 -3.26 8.23 0.13 -1.91 -3.46 132.00 137.87 3gdc h PRO 228 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.56 3gdc h PRO 228 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 3gdc h PRO 228 CO 0.76 0.18 -0.42 -1.50 -0.23 0.00 0.00 178.00 176.79 3gdc s ILE 229 N -3.64 0.04 0.32 -3.56 2.07 -1.26 -4.15 121.20 111.02 3gdc s ILE 229 Ca 0.01 -0.35 0.10 0.00 -1.41 0.00 0.00 60.65 59.00 3gdc s ILE 229 Cb 0.10 -0.43 -0.06 0.00 0.13 0.00 0.00 42.46 42.20 3gdc s ILE 229 CO 0.62 -0.19 -0.13 0.21 -1.91 0.00 0.00 174.94 173.54 3gdc s ASN 230 N -0.72 3.63 0.27 4.50 3.84 0.20 -4.99 114.94 121.67 3gdc s ASN 230 Ca -0.08 -1.14 0.00 0.00 0.21 0.00 0.00 52.86 51.85 3gdc s ASN 230 Cb -0.05 -0.32 -0.03 0.00 -0.55 0.00 0.00 41.25 40.31 3gdc s ASN 230 CO 0.02 -0.14 0.28 -0.94 -2.79 0.00 0.00 177.10 173.53 3gdc s SER 231 N -3.57 0.78 -0.13 -4.21 1.04 -1.26 -1.16 113.70 105.18 3gdc s SER 231 Ca 0.31 -1.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.20 3gdc s SER 231 Cb 0.00 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.69 3gdc s SER 231 CO 0.16 -1.03 0.30 0.12 0.98 0.00 0.00 173.24 173.76 3gdc s PHE 232 N -3.70 -0.46 -0.00 5.02 5.36 -0.28 -4.05 117.98 119.86 3gdc s PHE 232 Ca 0.36 1.01 0.02 0.00 -0.96 0.00 0.00 56.93 57.36 3gdc s PHE 232 Cb 0.03 0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.80 3gdc s PHE 232 CO 0.18 -0.32 -0.05 -1.58 -1.46 0.00 0.00 175.22 172.00 3gdc s HIS 233 N 1.79 0.44 -0.12 10.12 5.65 0.26 -1.33 115.29 132.11 3gdc s HIS 233 Ca -0.05 -0.08 0.02 0.00 0.25 0.00 0.00 55.06 55.19 3gdc s HIS 233 Cb -0.11 -0.29 -0.01 0.00 -1.18 0.00 0.00 32.58 31.00 3gdc s HIS 233 CO -0.10 -0.01 -0.19 -1.50 -0.65 0.00 0.00 174.74 172.29 3gdc s ILE 234 N -0.10 2.49 0.28 0.89 1.10 -0.98 -1.37 121.20 123.49 3gdc s ILE 234 Ca 0.02 -0.86 -0.29 0.00 -0.51 0.00 0.00 60.65 59.00 3gdc s ILE 234 Cb -0.02 -2.00 -0.10 0.00 0.15 0.00 0.00 42.46 40.49 3gdc s ILE 234 CO -0.00 0.54 1.29 -1.00 -2.11 0.00 0.00 174.94 173.66 3gdc s HIS 235 N 0.41 3.18 -0.16 3.50 3.76 0.39 -3.76 115.29 122.62 3gdc s HIS 235 Ca -0.14 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 3gdc s HIS 235 Cb -0.17 -3.62 0.00 0.00 1.11 0.00 0.00 32.58 29.91 3gdc s HIS 235 CO 0.06 -1.76 0.00 0.41 -0.85 0.00 0.00 174.74 172.60 3gdc n GLY 236 N 1.47 0.34 3.14 -2.22 0.00 -1.26 -4.69 105.19 101.97 3gdc n GLY 236 Ca 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3gdc n GLY 236 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gdc s ASN 237 N -2.11 0.26 0.07 1.61 0.01 -1.25 -4.96 114.94 108.58 3gdc s ASN 237 Ca 0.00 -0.73 0.05 0.00 -0.71 0.00 0.00 52.86 51.47 3gdc s ASN 237 Cb 0.00 0.26 -0.03 0.00 0.41 0.00 0.00 41.25 41.89 3gdc s ASN 237 CO 0.00 -0.62 -0.14 -0.36 -1.51 0.00 0.00 177.10 174.47 3gdc s PHE 238 N -3.49 1.18 0.08 2.20 0.40 -1.26 -4.50 117.98 112.59 3gdc s PHE 238 Ca 0.03 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3gdc s PHE 238 Cb 0.04 -0.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 3gdc s PHE 238 CO -0.09 0.05 -0.09 -0.59 0.70 0.00 0.00 175.22 175.20 3gdc s PHE 239 N -1.24 0.93 0.08 0.36 -0.12 0.67 -4.69 117.98 113.96 3gdc s PHE 239 Ca -0.02 -0.65 -0.24 0.00 -0.05 0.00 0.00 56.93 55.97 3gdc s PHE 239 Cb -0.10 -0.53 -0.06 0.00 -0.63 0.00 0.00 43.02 41.70 3gdc s PHE 239 CO 0.02 -0.05 0.74 -1.01 -0.05 0.00 0.00 175.22 174.87 3gdc s HIS 240 N -2.31 3.78 -0.09 3.49 3.76 -0.22 -1.28 115.29 122.43 3gdc s HIS 240 Ca 0.02 1.47 0.02 0.00 -0.15 0.00 0.00 55.06 56.43 3gdc s HIS 240 Cb -0.04 -2.76 -0.01 0.00 1.11 0.00 0.00 32.58 30.88 3gdc s HIS 240 CO -0.01 0.37 -0.17 -0.47 -0.85 0.00 0.00 174.74 173.62 3gdc s TYR 241 N -0.45 2.68 -0.39 1.40 5.04 -0.38 -1.10 117.35 124.16 3gdc s TYR 241 Ca 0.36 -0.61 0.04 0.00 -2.44 0.00 0.00 57.07 54.42 3gdc s TYR 241 Cb -0.21 -1.73 0.11 0.00 0.35 0.00 0.00 41.96 40.48 3gdc s TYR 241 CO 0.23 -0.15 0.11 0.71 -1.34 0.00 0.00 175.55 175.10 3gdc s TYR 242 N 0.02 3.53 0.16 4.97 2.02 0.38 -0.53 117.35 127.89 3gdc s TYR 242 Ca -0.06 -3.00 -0.33 0.00 -0.37 0.00 0.00 57.07 53.31 3gdc s TYR 242 Cb -0.15 -2.85 -0.12 0.00 -0.40 0.00 0.00 41.96 38.44 3gdc s TYR 242 CO 0.05 -0.89 1.70 -2.30 -1.57 0.00 0.00 175.55 172.53 3gdc n PRO 243 N 3.97 2.51 -0.55 -1.71 -0.02 -1.26 -1.15 135.00 136.79 3gdc n PRO 243 Ca 0.04 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3gdc n PRO 243 Cb 0.39 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3gdc n PRO 243 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gdc n THR 244 N 3.96 0.00 -1.51 3.45 -1.04 0.16 -3.37 114.28 115.94 3gdc n THR 244 Ca 0.17 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.01 3gdc n THR 244 Cb 0.33 -0.47 -0.08 0.00 -1.82 0.00 0.00 70.33 68.29 3gdc n THR 244 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gdc n GLY 245 N -1.93 1.68 0.01 3.41 0.00 -0.36 -0.43 105.19 107.56 3gdc n GLY 245 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3gdc n GLY 245 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gdc n THR 246 N -2.28 0.04 -4.40 2.61 -2.24 -1.22 -4.06 114.28 102.74 3gdc n THR 246 Ca -0.18 -0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 3gdc n THR 246 Cb 0.64 0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 3gdc n THR 246 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3gdc s MET 247 N -3.02 1.44 0.00 -0.78 -1.94 -1.26 -4.94 119.30 108.80 3gdc s MET 247 Ca 0.11 -1.46 0.26 0.00 -1.71 0.00 0.00 55.69 52.88 3gdc s MET 247 Cb 0.17 -1.75 0.67 0.00 2.01 0.00 0.00 34.83 35.93 3gdc s MET 247 CO 0.67 0.38 1.51 1.28 -0.01 0.00 0.00 175.02 178.86 3gdc n LEU 248 N 0.40 0.74 -4.38 -0.03 4.77 -1.26 -4.79 117.00 112.45 3gdc n LEU 248 Ca -0.14 -0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.40 3gdc n LEU 248 Cb 0.56 -0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 3gdc n LEU 248 CO 0.28 0.15 -0.46 0.42 -1.33 0.00 0.00 177.39 176.45 3gdc s THR 249 N -2.74 2.96 0.56 -5.08 -4.23 -1.26 -5.08 115.64 100.77 3gdc s THR 249 Ca 0.18 -0.71 -0.18 0.00 -1.18 0.00 0.00 61.69 59.80 3gdc s THR 249 Cb 0.18 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 3gdc s THR 249 CO 0.60 0.54 1.07 -2.16 -0.54 0.00 0.00 174.62 174.14 3gdc s PRO 250 N 0.09 3.42 0.03 3.99 0.04 -1.26 -4.93 135.00 136.37 3gdc s PRO 250 Ca -0.06 1.36 0.11 0.00 0.04 0.00 0.00 61.00 62.45 3gdc s PRO 250 Cb -0.15 -2.04 -0.21 0.00 0.04 0.00 0.00 34.50 32.15 3gdc s PRO 250 CO 0.05 -0.75 0.90 0.66 0.04 0.00 0.00 177.00 177.90 3gdc h SER 251 N 0.90 0.00 -5.04 6.66 4.64 -1.21 -3.48 113.55 116.01 3gdc h SER 251 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 3gdc h SER 251 Cb 1.23 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.14 3gdc h SER 251 CO 0.57 0.96 -0.39 -1.61 -0.87 0.00 0.00 176.83 175.49 3gdc s GLU 252 N -2.67 0.65 -0.20 4.77 2.02 -1.21 -5.01 118.70 117.06 3gdc s GLU 252 Ca -0.02 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.46 3gdc s GLU 252 Cb 0.09 0.27 0.04 0.00 0.10 0.00 0.00 34.13 34.63 3gdc s GLU 252 CO 0.82 -0.18 -0.08 -0.47 0.02 0.00 0.00 175.26 175.37 3gdc s TYR 253 N -2.13 2.24 0.34 1.61 5.04 -1.26 -1.25 117.35 121.94 3gdc s TYR 253 Ca -0.08 -1.49 -0.18 0.00 -2.44 0.00 0.00 57.07 52.88 3gdc s TYR 253 Cb -0.03 -1.55 0.05 0.00 0.35 0.00 0.00 41.96 40.78 3gdc s TYR 253 CO -0.01 -0.72 0.78 -0.08 -1.34 0.00 0.00 175.55 174.18 3gdc s THR 254 N 1.45 0.00 -0.55 4.34 -1.32 -0.40 -4.93 115.64 114.24 3gdc s THR 254 Ca -0.01 -0.98 0.06 0.00 -1.21 0.00 0.00 61.69 59.55 3gdc s THR 254 Cb -0.16 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 3gdc s THR 254 CO -0.08 0.00 0.50 -0.90 -2.21 0.00 0.00 174.62 171.93 3gdc n ASP 255 N -1.12 0.98 -3.76 8.08 5.68 -1.26 -0.24 116.55 124.91 3gdc n ASP 255 Ca -0.07 -0.99 -0.15 0.00 -0.50 0.00 0.00 54.79 53.08 3gdc n ASP 255 Cb 0.60 0.42 -0.16 0.00 -1.14 0.00 0.00 41.12 40.84 3gdc n ASP 255 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gdc s THR 256 N -0.93 -0.06 0.09 2.12 2.01 -1.26 -2.33 115.64 115.29 3gdc s THR 256 Ca 0.05 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.29 3gdc s THR 256 Cb 0.05 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 3gdc s THR 256 CO 0.14 0.09 -0.08 0.27 -0.69 0.00 0.00 174.62 174.34 3gdc s ILE 257 N 1.13 0.80 0.17 1.82 -5.25 -0.44 -4.98 121.20 114.45 3gdc s ILE 257 Ca -0.09 -1.68 0.11 0.00 -0.99 0.00 0.00 60.65 58.00 3gdc s ILE 257 Cb -0.13 -1.38 -0.04 0.00 2.95 0.00 0.00 42.46 43.86 3gdc s ILE 257 CO -0.04 -0.65 -0.25 -0.94 -1.79 0.00 0.00 174.94 171.27 3gdc s SER 258 N -2.56 3.40 -0.09 4.36 1.04 -1.26 -1.13 113.70 117.45 3gdc s SER 258 Ca 0.06 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.62 3gdc s SER 258 Cb -0.01 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.91 3gdc s SER 258 CO -0.02 0.14 0.22 -1.10 0.98 0.00 0.00 173.24 173.47 3gdc s GLN 259 N -2.44 0.18 0.85 4.02 -0.21 -0.31 -4.99 119.66 116.75 3gdc s GLN 259 Ca 0.18 0.48 -0.12 0.00 0.02 0.00 0.00 55.36 55.92 3gdc s GLN 259 Cb -0.09 -0.12 0.13 0.00 1.00 0.00 0.00 33.01 33.93 3gdc s GLN 259 CO 0.08 -0.16 1.20 0.14 -2.12 0.00 0.00 175.29 174.44 3gdc s VAL 260 N 1.18 2.05 0.23 1.09 -7.23 -1.26 -0.63 120.40 115.82 3gdc s VAL 260 Ca -0.09 -0.08 -0.31 0.00 -1.81 0.00 0.00 61.98 59.69 3gdc s VAL 260 Cb -0.10 -2.97 -0.11 0.00 0.56 0.00 0.00 36.38 33.76 3gdc s VAL 260 CO -0.07 0.00 1.58 -1.58 -0.31 0.00 0.00 175.10 174.71 3gdc s GLN 261 N -5.63 4.18 0.00 4.82 0.74 -1.26 -1.68 119.66 120.83 3gdc s GLN 261 Ca 0.67 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.54 3gdc s GLN 261 Cb -0.08 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.95 3gdc s GLN 261 CO 0.50 -0.60 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 3gdc n GLY 262 N 2.94 3.42 3.85 2.59 0.00 -0.70 -5.04 105.19 112.25 3gdc n GLY 262 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3gdc n GLY 262 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdc s GLN 263 N -0.85 3.94 0.08 1.61 -0.21 -0.68 -4.93 119.66 118.63 3gdc s GLN 263 Ca 0.00 0.78 -0.27 0.00 0.02 0.00 0.00 55.36 55.89 3gdc s GLN 263 Cb 0.00 -2.27 0.08 0.00 1.00 0.00 0.00 33.01 31.82 3gdc s GLN 263 CO 0.00 -0.10 0.93 -0.98 -2.12 0.00 0.00 175.29 173.02 3gdc s ARG 264 N -3.70 1.01 0.03 2.91 3.03 -1.26 -2.01 118.95 118.95 3gdc s ARG 264 Ca 0.56 -0.48 -0.26 0.00 2.03 0.00 0.00 55.73 57.58 3gdc s ARG 264 Cb -0.10 0.39 0.09 0.00 -1.03 0.00 0.00 34.95 34.30 3gdc s ARG 264 CO 0.27 -0.45 1.17 0.41 -1.13 0.00 0.00 175.30 175.56 3gdc n GLY 265 N -0.36 0.33 3.52 3.88 0.00 -0.39 0.39 105.19 112.55 3gdc n GLY 265 Ca -0.08 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 3gdc n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gdc s ILE 266 N -2.03 3.77 -0.10 -0.61 1.01 -0.30 -0.76 121.20 122.17 3gdc s ILE 266 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 3gdc s ILE 266 Cb -0.01 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 3gdc s ILE 266 CO 0.01 0.54 -0.04 -0.76 0.00 0.00 0.00 174.94 174.69 3gdc s LEU 267 N -0.10 3.32 -0.08 2.97 1.43 0.26 -0.47 118.68 126.02 3gdc s LEU 267 Ca 0.01 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3gdc s LEU 267 Cb -0.13 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3gdc s LEU 267 CO 0.03 0.32 -0.15 -1.61 0.23 0.00 0.00 176.35 175.17 3gdc s GLU 268 N -0.52 2.01 0.18 1.70 2.02 -0.26 -0.40 118.70 123.43 3gdc s GLU 268 Ca 0.08 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.42 3gdc s GLU 268 Cb -0.12 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.49 3gdc s GLU 268 CO 0.02 0.03 0.43 -0.48 0.02 0.00 0.00 175.26 175.28 3gdc s LEU 269 N 0.68 0.44 -0.11 1.80 2.34 -0.48 -1.05 118.68 122.29 3gdc s LEU 269 Ca -0.14 -0.64 0.02 0.00 0.06 0.00 0.00 54.13 53.43 3gdc s LEU 269 Cb -0.16 1.76 0.01 0.00 -0.56 0.00 0.00 46.19 47.24 3gdc s LEU 269 CO 0.04 -0.99 -0.15 -0.13 -1.06 0.00 0.00 176.35 174.05 3gdc s ARG 270 N -3.91 2.22 -0.35 1.48 0.52 -1.26 -0.30 118.95 117.35 3gdc s ARG 270 Ca 0.12 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 3gdc s ARG 270 Cb 0.01 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.60 3gdc s ARG 270 CO -0.02 -0.06 1.06 -0.06 0.02 0.00 0.00 175.30 176.24 3gdc s PHE 271 N 0.99 3.08 -0.28 -0.53 0.08 -1.26 -4.82 117.98 115.24 3gdc s PHE 271 Ca -0.06 1.05 0.27 0.00 0.12 0.00 0.00 56.93 58.30 3gdc s PHE 271 Cb -0.15 -3.82 0.80 0.00 -0.57 0.00 0.00 43.02 39.28 3gdc s PHE 271 CO -0.02 -0.86 1.77 -1.00 -0.10 0.00 0.00 175.22 175.01 3gdc h PRO 272 N 8.35 0.00 -4.88 0.24 0.13 -1.96 0.57 132.00 134.45 3gdc h PRO 272 Ca -0.21 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.51 3gdc h PRO 272 Cb 1.06 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.92 3gdc h PRO 272 CO 1.04 0.00 -0.78 0.71 -0.23 0.00 0.00 178.00 178.74 3gdc s TYR 273 N -3.37 0.92 0.81 1.56 2.02 -1.26 -4.80 117.35 113.22 3gdc s TYR 273 Ca 0.05 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 3gdc s TYR 273 Cb 0.07 -0.58 0.07 0.00 -0.40 0.00 0.00 41.96 41.12 3gdc s TYR 273 CO 0.60 -0.01 1.09 -1.25 -1.57 0.00 0.00 175.55 174.41 3gdc s PRO 274 N -0.44 2.01 0.00 -1.71 0.04 -1.26 -4.82 135.00 128.82 3gdc s PRO 274 Ca 0.03 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3gdc s PRO 274 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3gdc s PRO 274 CO -0.00 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.73 3gdc n GLY 275 N -1.64 0.31 3.68 0.56 0.00 0.11 -4.91 105.19 103.29 3gdc n GLY 275 Ca 0.07 -2.31 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 3gdc n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdc s LYS 276 N -0.16 4.18 -0.17 1.61 1.02 -1.26 -0.41 119.74 124.55 3gdc s LYS 276 Ca 0.00 0.10 -0.00 0.00 0.02 0.00 0.00 55.97 56.09 3gdc s LYS 276 Cb 0.00 -3.51 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3gdc s LYS 276 CO 0.00 0.04 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.33 3gdc s PHE 277 N 1.07 1.91 0.48 3.18 0.08 -0.03 -4.97 117.98 119.70 3gdc s PHE 277 Ca 0.17 -1.19 -0.23 0.00 0.12 0.00 0.00 56.93 55.80 3gdc s PHE 277 Cb -0.14 -1.42 -0.07 0.00 -0.57 0.00 0.00 43.02 40.82 3gdc s PHE 277 CO 0.06 -0.64 1.28 1.41 -0.10 0.00 0.00 175.22 177.23 3gdc s MET 278 N 1.56 3.58 0.00 0.44 -2.45 -1.26 -0.22 119.30 120.96 3gdc s MET 278 Ca 0.01 2.06 0.02 0.00 -1.25 0.00 0.00 55.69 56.53 3gdc s MET 278 Cb -0.15 -2.45 -0.01 0.00 1.25 0.00 0.00 34.83 33.48 3gdc s MET 278 CO -0.08 -0.78 -0.06 -0.59 1.05 0.00 0.00 175.02 174.55 3gdc s PHE 279 N -1.37 0.54 0.08 4.11 -0.12 0.12 -0.46 117.98 120.88 3gdc s PHE 279 Ca 0.65 -0.16 -0.27 0.00 -0.05 0.00 0.00 56.93 57.09 3gdc s PHE 279 Cb -0.36 -0.34 0.09 0.00 -0.63 0.00 0.00 43.02 41.77 3gdc s PHE 279 CO 0.44 -0.02 1.06 -3.38 -0.05 0.00 0.00 175.22 173.27 3gdc s HIS 280 N -0.33 -0.12 0.34 3.49 -3.43 -0.47 -0.55 115.29 114.21 3gdc s HIS 280 Ca 0.00 -0.11 -0.29 0.00 -0.80 0.00 0.00 55.06 53.87 3gdc s HIS 280 Cb -0.03 0.60 -0.11 0.00 -1.43 0.00 0.00 32.58 31.61 3gdc s HIS 280 CO -0.00 -0.62 1.46 0.00 -2.00 0.00 0.00 174.74 173.58 3gdc s ALA 281 N -2.98 3.60 -2.02 -1.38 0.00 -1.09 -0.57 121.76 117.31 3gdc s ALA 281 Ca 0.12 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.64 3gdc s ALA 281 Cb 0.01 -3.58 0.30 0.00 0.00 0.00 0.00 23.12 19.84 3gdc s ALA 281 CO -0.01 -0.92 1.22 1.58 0.00 0.00 0.00 175.76 177.64 3gdc n HIS 282 N 1.08 0.20 -3.13 0.00 -0.00 -1.26 -4.46 115.22 107.66 3gdc n HIS 282 Ca 0.03 -0.10 -0.44 0.00 0.46 0.00 0.00 57.72 57.67 3gdc n HIS 282 Cb 0.40 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.21 3gdc n HIS 282 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 3gdc s LYS 283 N -1.80 3.11 0.29 1.57 2.47 -1.26 -4.97 119.74 119.15 3gdc s LYS 283 Ca 0.15 -0.96 0.00 0.00 -1.56 0.00 0.00 55.97 53.60 3gdc s LYS 283 Cb 0.08 -4.14 0.51 0.00 -1.46 0.00 0.00 37.83 32.82 3gdc s LYS 283 CO 0.11 -1.32 1.90 1.79 0.16 0.00 0.00 175.35 177.99 3gdc h THR 284 N 5.88 1.06 -0.80 3.43 1.35 -2.01 -0.92 112.91 120.91 3gdc h THR 284 Ca -0.28 -0.36 0.17 0.00 -0.55 0.00 0.00 66.41 65.39 3gdc h THR 284 Cb 1.09 -0.09 -0.11 0.00 -1.73 0.00 0.00 68.15 67.32 3gdc h THR 284 CO 1.00 0.19 0.31 -0.08 -0.25 0.00 0.00 175.52 176.70 3gdc h GLU 285 N 1.05 0.40 -0.11 4.72 4.81 -1.94 -1.60 114.58 121.92 3gdc h GLU 285 Ca 0.41 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 3gdc h GLU 285 Cb 0.21 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3gdc h GLU 285 CO -0.16 0.27 -0.66 0.74 -0.73 0.00 0.00 179.01 178.47 3gdc h PHE 286 N 0.42 0.87 -0.44 0.92 0.04 -1.54 -3.03 116.94 114.18 3gdc h PHE 286 Ca 0.46 -0.40 0.05 0.00 2.80 0.00 0.00 57.97 60.88 3gdc h PHE 286 Cb 0.76 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.73 3gdc h PHE 286 CO -0.17 1.20 0.16 0.00 -0.60 0.00 0.00 178.31 178.91 3gdc h ALA 287 N 0.48 0.53 0.00 2.45 0.00 -1.19 -1.97 119.26 119.56 3gdc h ALA 287 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gdc h ALA 287 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gdc h ALA 287 CO 0.13 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.55 3gdc n GLU 288 N -4.99 0.05 -0.30 0.00 1.02 -0.64 -2.44 120.64 113.34 3gdc n GLU 288 Ca 0.03 0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 3gdc n GLU 288 Cb 0.16 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.28 3gdc n GLU 288 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gdc n LEU 289 N -1.47 3.31 0.00 -4.62 4.77 -0.93 -4.96 117.00 113.10 3gdc n LEU 289 Ca 0.06 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 3gdc n LEU 289 Cb 0.25 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3gdc n LEU 289 CO 0.20 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3gdc n GLY 290 N -0.65 1.34 2.80 -0.72 0.00 -1.00 -1.17 105.19 105.78 3gdc n GLY 290 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gdc n GLY 290 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3gdc n TRP 291 N 0.00 2.92 -3.70 1.61 -0.00 -0.79 -0.94 117.44 116.55 3gdc n TRP 291 Ca 0.00 -2.81 -0.14 0.00 -0.00 0.00 0.00 57.50 54.55 3gdc n TRP 291 Cb 0.00 -2.00 -0.08 0.00 -0.00 0.00 0.00 31.31 29.23 3gdc n TRP 291 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gdc s MET 292 N 0.48 0.72 0.02 5.87 0.23 -1.26 -2.65 119.30 122.71 3gdc s MET 292 Ca 0.42 0.13 -0.01 0.00 -1.03 0.00 0.00 55.69 55.20 3gdc s MET 292 Cb 0.11 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 3gdc s MET 292 CO -0.02 -0.18 0.05 0.41 -2.03 0.00 0.00 175.02 173.25 3gdc n GLY 293 N 1.61 1.85 3.20 3.16 0.00 0.28 -4.06 105.19 111.24 3gdc n GLY 293 Ca -0.19 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 3gdc n GLY 293 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdc s PHE 294 N -8.26 1.47 0.03 1.61 0.08 -0.29 -0.70 117.98 111.92 3gdc s PHE 294 Ca 0.01 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 3gdc s PHE 294 Cb -0.00 -0.85 -0.06 0.00 -0.57 0.00 0.00 43.02 41.54 3gdc s PHE 294 CO 0.01 0.09 0.53 -0.06 -0.10 0.00 0.00 175.22 175.69 3gdc s PHE 295 N -1.00 3.75 -0.33 0.36 0.08 0.69 -0.64 117.98 120.90 3gdc s PHE 295 Ca 0.03 1.18 -0.04 0.00 0.12 0.00 0.00 56.93 58.22 3gdc s PHE 295 Cb -0.09 -2.48 0.05 0.00 -0.57 0.00 0.00 43.02 39.93 3gdc s PHE 295 CO 0.02 0.54 0.07 -2.00 -0.10 0.00 0.00 175.22 173.75 3gdc s GLU 296 N -0.84 2.52 -0.29 0.44 2.56 0.17 -0.85 118.70 122.40 3gdc s GLU 296 Ca 0.28 -1.25 -0.13 0.00 0.00 0.00 0.00 54.97 53.87 3gdc s GLU 296 Cb -0.18 -3.36 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 3gdc s GLU 296 CO 0.17 -0.67 0.28 0.08 -0.56 0.00 0.00 175.26 174.56 3gdc s VAL 297 N 1.33 5.24 0.15 3.70 1.01 0.45 -1.82 120.40 130.46 3gdc s VAL 297 Ca -0.03 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 3gdc s VAL 297 Cb -0.20 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 3gdc s VAL 297 CO 0.01 0.14 0.54 -0.94 0.00 0.00 0.00 175.10 174.85 3gdc s SER 298 N 1.71 6.79 0.00 3.32 1.04 -0.49 -0.72 113.70 125.36 3gdc s SER 298 Ca 0.10 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.57 3gdc s SER 298 Cb -0.16 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3gdc s SER 298 CO 0.11 0.09 0.34 0.00 0.98 0.00 0.00 173.24 174.76