#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdt s ARG 2 N 0.00 4.21 -0.15 3.17 0.52 -1.26 -5.00 118.95 120.45 1gdt s ARG 2 Ca 0.00 1.57 -0.03 0.00 -0.52 0.00 0.00 55.73 56.75 1gdt s ARG 2 Cb 0.00 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 1gdt s ARG 2 CO 0.00 -0.72 -0.04 -1.17 0.02 0.00 0.00 175.30 173.38 1gdt s LEU 3 N 3.51 3.24 0.29 2.53 2.96 -1.26 -3.47 118.68 126.48 1gdt s LEU 3 Ca 0.53 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 1gdt s LEU 3 Cb -0.20 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 1gdt s LEU 3 CO 0.14 0.18 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.87 1gdt s PHE 4 N 0.29 2.15 -0.03 5.38 0.40 -0.07 -4.83 117.98 121.26 1gdt s PHE 4 Ca -0.04 -0.52 -0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1gdt s PHE 4 Cb -0.14 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.30 1gdt s PHE 4 CO 0.03 0.50 0.01 0.20 0.70 0.00 0.00 175.22 176.67 1gdt s GLY 5 N -3.49 0.24 -0.14 4.36 0.00 -1.26 0.44 107.32 107.46 1gdt s GLY 5 Ca 0.29 0.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.15 1gdt s GLY 5 CO 0.13 0.79 -0.05 -0.47 0.00 0.00 0.00 173.10 173.50 1gdt s TYR 6 N 1.30 3.00 0.15 1.90 5.04 0.34 -1.67 117.35 127.40 1gdt s TYR 6 Ca -0.06 -0.27 0.05 0.00 -2.44 0.00 0.00 57.07 54.35 1gdt s TYR 6 Cb -0.13 -1.91 -0.04 0.00 0.35 0.00 0.00 41.96 40.23 1gdt s TYR 6 CO -0.02 0.02 -0.10 0.00 -1.34 0.00 0.00 175.55 174.10 1gdt s ALA 7 N 0.16 1.47 -0.19 3.97 0.00 -1.11 -4.34 121.76 121.71 1gdt s ALA 7 Ca -0.02 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.17 1gdt s ALA 7 Cb -0.14 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.12 1gdt s ALA 7 CO 0.03 -0.09 0.86 0.50 0.00 0.00 0.00 175.76 177.06 1gdt s ARG 8 N -3.72 0.75 -0.02 0.00 3.52 -1.26 -2.17 118.95 116.06 1gdt s ARG 8 Ca 0.17 0.50 -0.22 0.00 -0.13 0.00 0.00 55.73 56.05 1gdt s ARG 8 Cb 0.02 0.36 0.04 0.00 -1.56 0.00 0.00 34.95 33.82 1gdt s ARG 8 CO 0.01 -0.17 0.47 0.54 -0.81 0.00 0.00 175.30 175.34 1gdt s VAL 9 N -0.42 0.03 0.05 7.11 0.11 -0.21 -4.90 120.40 122.18 1gdt s VAL 9 Ca -0.02 -0.28 -0.32 0.00 -2.93 0.00 0.00 61.98 58.42 1gdt s VAL 9 Cb -0.03 -0.81 -0.18 0.00 -1.53 0.00 0.00 36.38 33.83 1gdt s VAL 9 CO 0.02 -0.16 1.42 0.77 -3.33 0.00 0.00 175.10 173.82 1gdt h SER 10 N 3.40 -0.99 0.00 3.54 4.64 -1.93 -3.00 113.55 119.22 1gdt h SER 10 Ca -0.29 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1gdt h SER 10 Cb 1.17 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1gdt h SER 10 CO 0.40 -0.68 0.00 0.35 -0.87 0.00 0.00 176.83 176.03 1gdt n THR 11 N -5.31 0.00 -1.53 2.95 -2.24 -1.26 -2.32 114.28 104.57 1gdt n THR 11 Ca -0.15 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1gdt n THR 11 Cb 0.46 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1gdt n THR 11 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1gdt n SER 12 N -1.68 1.26 0.21 3.42 2.88 -1.26 -4.74 113.62 113.71 1gdt n SER 12 Ca 0.00 -0.40 0.04 0.00 -1.33 0.00 0.00 58.87 57.18 1gdt n SER 12 Cb 0.00 -1.28 0.45 0.00 -0.75 0.00 0.00 64.21 62.62 1gdt n SER 12 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1gdt h GLN 13 N 15.56 0.00 -0.10 -1.46 -0.00 -1.97 -2.53 115.11 124.61 1gdt h GLN 13 Ca -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1gdt h GLN 13 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.72 1gdt h GLN 13 CO 1.26 0.26 0.05 1.96 0.00 0.00 0.00 178.83 182.36 1gdt h GLN 14 N 0.00 0.14 0.00 1.69 7.50 -2.00 -0.82 115.11 121.61 1gdt h GLN 14 Ca -0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 1gdt h GLN 14 Cb 0.46 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 1gdt h GLN 14 CO 0.03 0.20 -0.06 1.03 -1.50 0.00 0.00 178.83 178.53 1gdt h SER 15 N 0.05 0.00 -0.06 1.46 0.87 -1.85 -2.23 113.55 111.79 1gdt h SER 15 Ca 0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1gdt h SER 15 Cb 0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1gdt h SER 15 CO -0.00 0.06 -0.07 0.25 -0.53 0.00 0.00 176.83 176.54 1gdt h LEU 16 N 0.00 0.16 -0.33 2.23 5.85 -0.99 -2.91 115.31 119.31 1gdt h LEU 16 Ca -0.00 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.28 1gdt h LEU 16 Cb 0.12 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1gdt h LEU 16 CO 0.01 0.64 -0.27 0.44 -0.34 0.00 0.00 178.44 178.91 1gdt h ASP 17 N -0.31 -0.89 -0.94 1.25 5.19 -0.59 0.33 116.42 120.45 1gdt h ASP 17 Ca 0.01 0.16 0.21 0.00 -0.62 0.00 0.00 57.03 56.79 1gdt h ASP 17 Cb 0.60 0.43 -0.12 0.00 0.18 0.00 0.00 39.33 40.42 1gdt h ASP 17 CO 0.02 -0.29 0.49 0.40 -3.12 0.00 0.00 179.24 176.74 1gdt h ILE 18 N -0.23 0.56 0.49 0.35 2.04 -1.48 0.21 117.51 119.45 1gdt h ILE 18 Ca 0.16 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1gdt h ILE 18 Cb 0.49 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1gdt h ILE 18 CO -0.47 0.10 -0.23 1.56 0.00 0.00 0.00 178.15 179.11 1gdt h GLN 19 N 0.54 -0.63 -0.86 2.37 4.20 -0.84 -2.54 115.11 117.35 1gdt h GLN 19 Ca 0.57 0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.55 1gdt h GLN 19 Cb 1.03 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 28.81 1gdt h GLN 19 CO -0.47 -0.42 0.23 0.28 -0.67 0.00 0.00 178.83 177.79 1gdt h VAL 20 N -0.91 0.34 -0.59 -0.54 2.07 0.05 0.45 116.25 117.11 1gdt h VAL 20 Ca -0.07 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1gdt h VAL 20 Cb 0.50 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1gdt h VAL 20 CO 0.11 0.04 -0.03 0.08 0.02 0.00 0.00 177.57 177.79 1gdt h ARG 21 N 0.22 1.06 0.00 1.57 0.11 -0.69 -0.22 114.38 116.43 1gdt h ARG 21 Ca 0.54 -0.35 -0.08 0.00 0.10 0.00 0.00 59.98 60.18 1gdt h ARG 21 Cb 1.06 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 1gdt h ARG 21 CO -0.64 1.05 -0.40 0.00 0.10 0.00 0.00 179.97 180.08 1gdt h ALA 22 N 0.97 1.32 0.04 0.08 0.00 0.17 -2.30 119.26 119.54 1gdt h ALA 22 Ca 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1gdt h ALA 22 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gdt h ALA 22 CO 0.04 0.50 -0.02 -0.07 0.00 0.00 0.00 179.25 179.70 1gdt h LEU 23 N 0.00 -0.04 -1.16 0.00 3.38 -0.17 -3.18 115.31 114.14 1gdt h LEU 23 Ca -0.00 -0.50 0.20 0.00 0.09 0.00 0.00 57.88 57.67 1gdt h LEU 23 Cb 0.72 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1gdt h LEU 23 CO 0.05 0.49 0.62 0.50 0.09 0.00 0.00 178.44 180.19 1gdt h LYS 24 N -0.60 0.63 -1.54 1.13 3.64 -0.80 0.12 116.57 119.15 1gdt h LYS 24 Ca -0.01 -0.04 0.45 0.00 -1.27 0.00 0.00 60.65 59.79 1gdt h LYS 24 Cb 0.54 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1gdt h LYS 24 CO 0.01 0.42 1.10 0.22 -2.27 0.00 0.00 179.45 178.93 1gdt h ASP 25 N 0.65 0.02 0.00 4.20 3.58 -1.39 -2.31 116.42 121.17 1gdt h ASP 25 Ca 0.56 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.88 1gdt h ASP 25 Cb 1.02 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 1gdt h ASP 25 CO -0.33 -0.01 -1.48 0.00 -2.88 0.00 0.00 179.24 174.55 1gdt n ALA 26 N -2.82 2.01 -3.69 -0.78 0.00 -0.01 -4.91 120.51 110.31 1gdt n ALA 26 Ca 0.34 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1gdt n ALA 26 Cb 1.59 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 21.27 1gdt n ALA 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gdt s GLY 27 N -4.92 2.09 0.26 0.00 0.00 0.21 -4.98 107.32 99.98 1gdt s GLY 27 Ca -0.12 -2.66 -0.03 0.00 0.00 0.00 0.00 44.72 41.91 1gdt s GLY 27 CO 0.18 1.07 1.81 -0.24 0.00 0.00 0.00 173.10 175.92 1gdt h VAL 28 N 6.10 1.24 -1.74 1.40 3.04 -1.80 -3.28 116.25 121.21 1gdt h VAL 28 Ca -0.13 -0.81 -0.49 0.00 -1.01 0.00 0.00 66.70 64.26 1gdt h VAL 28 Cb 1.04 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1gdt h VAL 28 CO 0.75 0.31 1.58 -0.54 -1.01 0.00 0.00 177.57 178.66 1gdt s LYS 29 N -5.34 2.32 0.52 4.17 -0.14 -1.26 -4.82 119.74 115.19 1gdt s LYS 29 Ca -0.11 1.40 0.32 0.00 -1.36 0.00 0.00 55.97 56.23 1gdt s LYS 29 Cb 0.16 -4.53 1.26 0.00 -1.68 0.00 0.00 37.83 33.04 1gdt s LYS 29 CO 0.81 -3.03 1.94 0.00 -0.76 0.00 0.00 175.35 174.31 1gdt h ALA 30 N 18.33 1.00 0.00 5.17 0.00 -1.93 -2.39 119.26 139.44 1gdt h ALA 30 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1gdt h ALA 30 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1gdt h ALA 30 CO 1.14 0.00 -0.62 -2.95 0.00 0.00 0.00 179.25 176.82 1gdt h ASN 31 N 0.00 0.00 0.30 0.00 -1.07 -1.99 -3.18 115.58 109.64 1gdt h ASN 31 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 1gdt h ASN 31 Cb 0.54 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.83 1gdt h ASN 31 CO 0.00 0.62 -1.43 0.03 0.07 0.00 0.00 177.43 176.72 1gdt h ARG 32 N 0.00 0.52 -6.66 4.14 3.08 -1.79 -3.45 114.38 110.21 1gdt h ARG 32 Ca -0.01 -0.86 -0.55 0.00 0.07 0.00 0.00 59.98 58.63 1gdt h ARG 32 Cb 1.20 0.32 0.07 0.00 0.08 0.00 0.00 29.97 31.65 1gdt h ARG 32 CO 0.08 1.41 0.82 -0.89 -1.07 0.00 0.00 179.97 180.33 1gdt n ILE 33 N -3.70 0.61 -3.93 2.04 5.41 -0.98 -4.50 119.36 114.31 1gdt n ILE 33 Ca -0.15 -0.15 -0.28 0.00 1.00 0.00 0.00 62.75 63.16 1gdt n ILE 33 Cb 1.09 -1.77 -0.17 0.00 -0.71 0.00 0.00 39.64 38.09 1gdt n ILE 33 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1gdt s PHE 34 N 0.39 1.80 0.48 1.39 0.08 -0.67 -4.95 117.98 116.48 1gdt s PHE 34 Ca 0.70 -1.06 0.08 0.00 0.12 0.00 0.00 56.93 56.78 1gdt s PHE 34 Cb -0.57 -1.38 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1gdt s PHE 34 CO 0.43 -0.61 0.58 0.95 -0.10 0.00 0.00 175.22 176.48 1gdt s THR 35 N 1.60 2.54 0.08 0.64 -4.23 -1.26 -2.75 115.64 112.26 1gdt s THR 35 Ca 0.03 -1.12 -0.25 0.00 -1.18 0.00 0.00 61.69 59.17 1gdt s THR 35 Cb -0.14 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.10 1gdt s THR 35 CO -0.08 0.00 0.60 -1.81 -0.54 0.00 0.00 174.62 172.78 1gdt s ASP 36 N -4.39 -0.55 0.19 3.99 1.11 -0.92 -4.31 116.67 111.78 1gdt s ASP 36 Ca 0.54 0.22 0.03 0.00 0.18 0.00 0.00 52.55 53.51 1gdt s ASP 36 Cb -0.07 0.56 -0.01 0.00 1.07 0.00 0.00 42.92 44.47 1gdt s ASP 36 CO 0.33 -0.81 0.19 2.29 1.18 0.00 0.00 175.17 178.34 1gdt n LYS 37 N 0.14 0.28 -3.67 8.23 0.00 -1.25 -1.04 118.16 120.85 1gdt n LYS 37 Ca -0.18 -1.76 -0.27 0.00 -0.00 0.00 0.00 58.31 56.10 1gdt n LYS 37 Cb 0.62 1.51 0.04 0.00 -0.00 0.00 0.00 35.03 37.20 1gdt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gdt n ALA 38 N -1.73 -2.38 -1.50 0.58 0.00 -0.98 -4.81 120.51 109.69 1gdt n ALA 38 Ca -0.07 -0.19 -0.52 0.00 0.00 0.00 0.00 53.44 52.67 1gdt n ALA 38 Cb 0.33 -3.59 -0.05 0.00 0.00 0.00 0.00 19.45 16.14 1gdt n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gdt n SER 39 N -2.84 0.17 0.00 0.00 7.64 -1.26 -4.64 113.62 112.68 1gdt n SER 39 Ca -0.16 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1gdt n SER 39 Cb 0.62 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1gdt n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gdt n GLY 40 N 1.83 -0.22 0.07 0.23 0.00 -1.26 -4.88 105.19 100.95 1gdt n GLY 40 Ca 0.17 0.79 0.11 0.00 0.00 0.00 0.00 46.02 47.09 1gdt n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gdt n SER 41 N 0.00 0.40 0.11 1.61 7.64 -1.26 0.65 113.62 122.76 1gdt n SER 41 Ca 0.00 0.58 -0.01 0.00 1.01 0.00 0.00 58.87 60.45 1gdt n SER 41 Cb 0.00 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 1gdt n SER 41 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1gdt h SER 42 N 0.00 0.00 0.00 6.43 0.02 -2.00 -3.44 113.55 114.56 1gdt h SER 42 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gdt h SER 42 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1gdt h SER 42 CO 0.00 0.68 0.00 -1.20 -1.14 0.00 0.00 176.83 175.17 1gdt n SER 43 N -3.25 0.00 -4.63 3.07 7.64 -0.98 -5.10 113.62 110.37 1gdt n SER 43 Ca 0.01 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.46 1gdt n SER 43 Cb 0.81 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 1gdt n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1gdt s ASP 44 N -1.18 6.77 0.00 6.43 2.15 0.21 -4.65 116.67 126.40 1gdt s ASP 44 Ca 0.00 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.97 1gdt s ASP 44 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1gdt s ASP 44 CO 0.00 -1.03 0.00 0.54 -0.17 0.00 0.00 175.17 174.51 1gdt n ARG 45 N 7.23 0.00 0.00 4.34 1.74 -1.26 -4.41 116.66 124.30 1gdt n ARG 45 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1gdt n ARG 45 Cb 0.47 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1gdt n ARG 45 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1gdt n LYS 46 N 0.00 0.00 -0.16 5.56 4.81 -1.26 -0.32 118.16 126.79 1gdt n LYS 46 Ca 0.00 0.76 -0.03 0.00 -0.87 0.00 0.00 58.31 58.16 1gdt n LYS 46 Cb 0.01 -1.14 0.03 0.00 0.02 0.00 0.00 35.03 33.95 1gdt n LYS 46 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1gdt h GLY 47 N 0.00 0.28 0.84 3.14 0.00 -1.96 0.24 103.07 105.62 1gdt h GLY 47 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 47.33 47.65 1gdt h GLY 47 CO 0.00 -0.20 0.49 -2.00 0.00 0.00 0.00 176.54 174.83 1gdt h LEU 48 N -0.04 0.56 -0.60 3.11 5.85 -1.56 -1.38 115.31 121.24 1gdt h LEU 48 Ca 0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1gdt h LEU 48 Cb 0.41 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1gdt h LEU 48 CO -0.54 0.33 0.31 0.44 -0.34 0.00 0.00 178.44 178.63 1gdt h ASP 49 N 0.62 0.77 -0.19 1.25 3.32 0.25 0.14 116.42 122.57 1gdt h ASP 49 Ca 0.35 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1gdt h ASP 49 Cb 0.53 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1gdt h ASP 49 CO -0.13 0.67 0.04 -0.07 -1.72 0.00 0.00 179.24 178.03 1gdt h LEU 50 N 0.82 0.37 0.18 1.55 -0.00 -0.67 -2.51 115.31 115.05 1gdt h LEU 50 Ca 0.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1gdt h LEU 50 Cb 0.08 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1gdt h LEU 50 CO -0.03 0.41 -0.08 0.25 -0.00 0.00 0.00 178.44 178.98 1gdt h LEU 51 N 0.40 -0.20 -0.43 1.67 5.85 -0.92 -2.95 115.31 118.73 1gdt h LEU 51 Ca 0.09 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1gdt h LEU 51 Cb 0.20 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1gdt h LEU 51 CO 0.00 0.15 -0.46 0.03 -0.34 0.00 0.00 178.44 177.81 1gdt h ARG 52 N -0.57 -0.25 0.00 1.25 3.08 -0.34 -0.82 114.38 116.73 1gdt h ARG 52 Ca -0.02 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1gdt h ARG 52 Cb 0.43 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1gdt h ARG 52 CO 0.04 -0.17 -0.07 0.00 -1.07 0.00 0.00 179.97 178.70 1gdt h MET 53 N -0.26 0.00 0.10 0.04 -0.00 -1.58 -2.69 114.93 110.54 1gdt h MET 53 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.51 1gdt h MET 53 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1gdt h MET 53 CO -0.54 0.07 -1.19 0.87 -0.00 0.00 0.00 176.91 176.12 1gdt h LYS 54 N 0.00 0.23 -6.43 -0.10 1.57 -1.14 -3.45 116.57 107.24 1gdt h LYS 54 Ca -0.00 -0.38 -0.57 0.00 -1.87 0.00 0.00 60.65 57.83 1gdt h LYS 54 Cb 0.15 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1gdt h LYS 54 CO 0.01 1.18 1.06 0.08 -0.57 0.00 0.00 179.45 181.21 1gdt s VAL 55 N -2.69 3.92 0.71 0.50 1.01 -0.40 -5.03 120.40 118.43 1gdt s VAL 55 Ca -0.03 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1gdt s VAL 55 Cb 0.08 -4.10 0.13 0.00 0.00 0.00 0.00 36.38 32.49 1gdt s VAL 55 CO 0.87 -0.60 0.98 -1.83 0.00 0.00 0.00 175.10 174.52 1gdt s GLU 56 N 4.73 1.69 0.68 2.72 -1.05 -1.26 -4.97 118.70 121.24 1gdt s GLU 56 Ca 0.62 -1.32 -0.15 0.00 -0.15 0.00 0.00 54.97 53.98 1gdt s GLU 56 Cb -0.16 -2.39 0.01 0.00 -0.44 0.00 0.00 34.13 31.15 1gdt s GLU 56 CO 0.30 -1.42 1.13 -2.00 0.95 0.00 0.00 175.26 174.21 1gdt s GLU 57 N -5.08 2.63 -0.41 -4.83 2.12 -1.26 -3.34 118.70 108.52 1gdt s GLU 57 Ca 0.67 1.46 0.00 0.00 0.36 0.00 0.00 54.97 57.45 1gdt s GLU 57 Cb -0.04 -1.92 0.00 0.00 0.26 0.00 0.00 34.13 32.42 1gdt s GLU 57 CO 0.44 -1.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.17 1gdt n GLY 58 N -0.35 0.68 3.95 -1.50 0.00 -0.54 -4.99 105.19 102.44 1gdt n GLY 58 Ca 0.11 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1gdt n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gdt s ASP 59 N -2.81 6.31 -0.11 1.61 1.01 -1.21 -4.80 116.67 116.67 1gdt s ASP 59 Ca 0.00 0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.41 1gdt s ASP 59 Cb 0.00 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 42.06 1gdt s ASP 59 CO 0.00 0.00 -0.21 -0.69 0.21 0.00 0.00 175.17 174.49 1gdt s VAL 60 N -1.84 1.86 -0.19 -1.27 1.01 -1.23 -1.06 120.40 117.69 1gdt s VAL 60 Ca 0.34 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1gdt s VAL 60 Cb -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1gdt s VAL 60 CO 0.29 0.51 0.06 -0.63 0.00 0.00 0.00 175.10 175.33 1gdt s ILE 61 N 0.61 4.74 -0.20 2.22 1.01 0.50 -0.90 121.20 129.18 1gdt s ILE 61 Ca -0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1gdt s ILE 61 Cb -0.17 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1gdt s ILE 61 CO 0.04 0.45 0.02 -0.76 0.00 0.00 0.00 174.94 174.69 1gdt s LEU 62 N 0.45 3.36 0.25 2.97 1.43 0.17 -0.60 118.68 126.72 1gdt s LEU 62 Ca 0.03 -0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1gdt s LEU 62 Cb -0.13 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1gdt s LEU 62 CO 0.01 0.07 -0.19 -0.69 0.23 0.00 0.00 176.35 175.77 1gdt s VAL 63 N 1.00 2.31 -0.14 -1.59 1.01 -0.63 -0.50 120.40 121.86 1gdt s VAL 63 Ca 0.02 -2.32 -0.28 0.00 0.00 0.00 0.00 61.98 59.40 1gdt s VAL 63 Cb -0.14 -2.22 -0.26 0.00 0.00 0.00 0.00 36.38 33.76 1gdt s VAL 63 CO 0.02 -0.41 0.74 0.50 0.00 0.00 0.00 175.10 175.95 1gdt h LYS 64 N 2.44 0.03 -3.79 2.72 1.63 -1.86 0.38 116.57 118.12 1gdt h LYS 64 Ca -0.40 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.26 1gdt h LYS 64 Cb 1.25 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.76 1gdt h LYS 64 CO 0.59 1.02 -0.33 0.15 -3.45 0.00 0.00 179.45 177.43 1gdt s LYS 65 N -2.25 0.95 0.28 1.90 1.02 -1.26 -1.58 119.74 118.80 1gdt s LYS 65 Ca -0.19 -0.99 0.02 0.00 0.02 0.00 0.00 55.97 54.82 1gdt s LYS 65 Cb -0.02 0.36 0.60 0.00 -0.52 0.00 0.00 37.83 38.25 1gdt s LYS 65 CO 0.70 -0.32 1.79 -0.07 -0.92 0.00 0.00 175.35 176.52 1gdt h LEU 66 N 2.66 0.74 -0.39 3.17 3.38 -1.96 -0.76 115.31 122.15 1gdt h LEU 66 Ca -0.33 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1gdt h LEU 66 Cb 1.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1gdt h LEU 66 CO 0.53 0.33 0.00 -0.90 0.09 0.00 0.00 178.44 178.49 1gdt n ASP 67 N -4.75 0.18 -0.05 -0.43 5.75 -1.26 -2.23 116.55 113.76 1gdt n ASP 67 Ca 0.20 -0.95 0.02 0.00 -0.01 0.00 0.00 54.79 54.04 1gdt n ASP 67 Cb 0.45 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.44 1gdt n ASP 67 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gdt n ARG 68 N -0.20 4.06 0.00 0.11 5.12 -0.29 -4.76 116.66 120.69 1gdt n ARG 68 Ca 0.00 -0.21 -0.21 0.00 -1.93 0.00 0.00 57.85 55.51 1gdt n ARG 68 Cb 0.05 -0.79 -0.14 0.00 -1.16 0.00 0.00 32.46 30.41 1gdt n ARG 68 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1gdt h LEU 69 N 0.24 0.34 -7.91 0.55 5.85 -1.58 -3.38 115.31 109.41 1gdt h LEU 69 Ca 0.00 -0.85 -0.12 0.00 0.84 0.00 0.00 57.88 57.74 1gdt h LEU 69 Cb 0.12 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 40.87 1gdt h LEU 69 CO 0.00 1.52 -0.52 -0.83 -0.34 0.00 0.00 178.44 178.27 1gdt s GLY 70 N -4.81 0.18 0.07 3.75 0.00 -1.26 -4.76 107.32 100.49 1gdt s GLY 70 Ca -0.19 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1gdt s GLY 70 CO 0.76 -0.72 1.64 -0.09 0.00 0.00 0.00 173.10 174.69 1gdt h ARG 71 N 3.62 -0.51 -6.05 2.90 2.43 -1.93 -3.42 114.38 111.42 1gdt h ARG 71 Ca -0.33 0.03 -0.60 0.00 -0.81 0.00 0.00 59.98 58.28 1gdt h ARG 71 Cb 1.18 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 1gdt h ARG 71 CO 0.51 -0.32 -0.38 -0.51 -1.51 0.00 0.00 179.97 177.76 1gdt s ASP 72 N -4.75 6.46 0.51 -3.80 1.01 -1.26 -4.94 116.67 109.89 1gdt s ASP 72 Ca -0.16 0.50 0.24 0.00 0.71 0.00 0.00 52.55 53.84 1gdt s ASP 72 Cb 0.04 -2.06 1.34 0.00 1.01 0.00 0.00 42.92 43.26 1gdt s ASP 72 CO 0.63 0.12 1.97 0.74 0.21 0.00 0.00 175.17 178.84 1gdt h THR 73 N 2.25 0.73 0.06 -1.27 2.02 -1.99 0.23 112.91 114.95 1gdt h THR 73 Ca -0.46 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1gdt h THR 73 Cb 1.17 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1gdt h THR 73 CO 0.72 0.01 -0.03 0.00 0.37 0.00 0.00 175.52 176.60 1gdt h ALA 74 N 1.70 -0.09 -0.09 6.16 0.00 -1.94 -0.86 119.26 124.14 1gdt h ALA 74 Ca 0.29 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1gdt h ALA 74 Cb 1.05 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1gdt h ALA 74 CO -0.03 -0.53 -0.11 0.22 0.00 0.00 0.00 179.25 178.81 1gdt h ASP 75 N -0.13 -0.33 -0.51 0.00 3.58 -0.94 -0.10 116.42 118.00 1gdt h ASP 75 Ca -0.01 0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.60 1gdt h ASP 75 Cb 0.10 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.23 1gdt h ASP 75 CO 0.01 -0.15 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.20 1gdt h MET 76 N -0.14 0.11 -0.23 0.28 4.05 -1.01 0.41 114.93 118.39 1gdt h MET 76 Ca 0.07 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1gdt h MET 76 Cb 0.24 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1gdt h MET 76 CO -0.18 0.07 0.09 0.82 0.23 0.00 0.00 176.91 177.95 1gdt h ILE 77 N 0.11 0.95 -0.45 1.77 1.08 -0.52 -0.93 117.51 119.53 1gdt h ILE 77 Ca 0.26 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.75 1gdt h ILE 77 Cb 0.39 0.73 -0.08 0.00 -3.07 0.00 0.00 36.82 34.80 1gdt h ILE 77 CO -0.43 0.04 -0.06 1.56 -0.69 0.00 0.00 178.15 178.57 1gdt h GLN 78 N 0.20 0.05 -0.38 2.37 4.20 0.89 0.31 115.11 122.76 1gdt h GLN 78 Ca 0.10 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1gdt h GLN 78 Cb 0.06 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1gdt h GLN 78 CO -0.10 0.03 0.20 -0.07 -0.67 0.00 0.00 178.83 178.22 1gdt h LEU 79 N 0.05 0.48 -0.50 1.46 -0.00 -0.76 -0.94 115.31 115.10 1gdt h LEU 79 Ca 0.22 -0.10 0.07 0.00 -0.00 0.00 0.00 57.88 58.07 1gdt h LEU 79 Cb 0.33 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 40.82 1gdt h LEU 79 CO -0.42 0.44 0.19 0.40 -0.00 0.00 0.00 178.44 179.05 1gdt h ILE 80 N 0.48 0.84 -0.38 1.22 2.04 -0.10 0.80 117.51 122.41 1gdt h ILE 80 Ca 0.13 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1gdt h ILE 80 Cb 0.08 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1gdt h ILE 80 CO -0.02 0.07 0.25 0.11 0.00 0.00 0.00 178.15 178.56 1gdt h LYS 81 N 0.37 0.50 0.16 2.37 1.57 -0.72 -1.49 116.57 119.34 1gdt h LYS 81 Ca 0.24 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1gdt h LYS 81 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gdt h LYS 81 CO -0.23 0.33 -0.19 0.93 -0.57 0.00 0.00 179.45 179.71 1gdt h GLU 82 N 0.51 -0.35 -0.83 3.15 5.08 0.27 -0.87 114.58 121.55 1gdt h GLU 82 Ca 0.14 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.62 1gdt h GLU 82 Cb -0.06 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1gdt h GLU 82 CO -0.03 -0.23 0.54 0.74 -1.00 0.00 0.00 179.01 179.03 1gdt h PHE 83 N -0.36 0.83 -0.13 4.33 0.04 -0.94 -1.99 116.94 118.71 1gdt h PHE 83 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1gdt h PHE 83 Cb 0.32 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1gdt h PHE 83 CO -0.17 0.38 0.08 0.22 -0.60 0.00 0.00 178.31 178.21 1gdt h ASP 84 N 0.76 0.16 -0.52 2.17 3.58 -0.99 0.49 116.42 122.07 1gdt h ASP 84 Ca 0.39 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1gdt h ASP 84 Cb 0.47 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 1gdt h ASP 84 CO -0.16 0.17 0.30 0.00 -2.88 0.00 0.00 179.24 176.68 1gdt h ALA 85 N 1.00 1.50 0.00 -0.78 0.00 -0.47 0.30 119.26 120.81 1gdt h ALA 85 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gdt h ALA 85 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1gdt h ALA 85 CO -0.01 0.42 0.00 1.04 0.00 0.00 0.00 179.25 180.70 1gdt n GLN 86 N -4.40 0.17 -0.49 0.00 6.02 -0.82 -4.86 117.38 113.00 1gdt n GLN 86 Ca 0.05 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1gdt n GLN 86 Cb 0.10 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.55 1gdt n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gdt n GLY 87 N 0.19 1.04 3.78 1.08 0.00 0.11 -4.27 105.19 107.12 1gdt n GLY 87 Ca 0.03 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1gdt n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gdt s VAL 88 N -2.00 4.90 -0.14 1.61 1.01 0.16 -1.47 120.40 124.46 1gdt s VAL 88 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1gdt s VAL 88 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1gdt s VAL 88 CO 0.00 0.59 -0.04 -0.44 0.00 0.00 0.00 175.10 175.21 1gdt s SER 89 N -1.03 4.79 -0.16 3.32 0.01 -0.22 -3.17 113.70 117.24 1gdt s SER 89 Ca 0.15 -0.11 -0.08 0.00 1.31 0.00 0.00 55.95 57.22 1gdt s SER 89 Cb -0.12 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1gdt s SER 89 CO 0.04 0.20 0.11 -0.63 0.41 0.00 0.00 173.24 173.37 1gdt s ILE 90 N 0.18 5.24 -0.15 1.44 1.01 -1.26 -0.37 121.20 127.30 1gdt s ILE 90 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 1gdt s ILE 90 Cb -0.14 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1gdt s ILE 90 CO 0.03 0.51 -0.08 -0.13 0.00 0.00 0.00 174.94 175.27 1gdt s ARG 91 N -0.18 1.68 -0.51 2.79 0.52 0.23 -1.70 118.95 121.78 1gdt s ARG 91 Ca 0.10 -0.46 -0.24 0.00 -0.52 0.00 0.00 55.73 54.60 1gdt s ARG 91 Cb -0.12 -1.91 0.03 0.00 0.52 0.00 0.00 34.95 33.47 1gdt s ARG 91 CO 0.01 -0.34 0.92 -0.06 0.02 0.00 0.00 175.30 175.85 1gdt s PHE 92 N 1.61 2.86 0.00 -0.53 0.08 -0.06 -1.60 117.98 120.34 1gdt s PHE 92 Ca 0.03 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1gdt s PHE 92 Cb -0.14 -3.99 0.00 0.00 -0.57 0.00 0.00 43.02 38.32 1gdt s PHE 92 CO -0.08 -1.22 0.69 -0.89 -0.10 0.00 0.00 175.22 173.61 1gdt n ILE 93 N 6.27 0.00 -0.04 0.64 2.08 0.13 -1.49 119.36 126.95 1gdt n ILE 93 Ca 0.03 1.19 -0.09 0.00 0.56 0.00 0.00 62.75 64.44 1gdt n ILE 93 Cb 0.48 -1.80 -0.03 0.00 -0.75 0.00 0.00 39.64 37.55 1gdt n ILE 93 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1gdt h ASP 94 N 0.00 -0.04 0.51 4.38 5.19 -1.53 -2.56 116.42 122.37 1gdt h ASP 94 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1gdt h ASP 94 Cb 0.00 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1gdt h ASP 94 CO 0.00 0.01 0.00 0.44 -3.12 0.00 0.00 179.24 176.57 1gdt h ASP 95 N 0.08 0.00 -2.37 6.45 3.32 -1.71 -3.46 116.42 118.74 1gdt h ASP 95 Ca 0.09 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.84 1gdt h ASP 95 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1gdt h ASP 95 CO -0.14 0.00 -0.40 0.61 -1.72 0.00 0.00 179.24 177.59 1gdt n GLY 96 N -0.53 -0.25 3.59 2.75 0.00 -0.56 -4.99 105.19 105.20 1gdt n GLY 96 Ca -0.01 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1gdt n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gdt s ILE 97 N -2.80 4.48 0.06 -0.61 -1.09 -1.18 -4.99 121.20 115.08 1gdt s ILE 97 Ca 0.03 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1gdt s ILE 97 Cb -0.01 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1gdt s ILE 97 CO 0.04 0.47 -0.10 -0.44 -1.23 0.00 0.00 174.94 173.68 1gdt s SER 98 N 0.34 1.23 -0.04 3.58 0.01 -1.26 -0.88 113.70 116.69 1gdt s SER 98 Ca 0.01 -0.64 0.21 0.00 1.31 0.00 0.00 55.95 56.84 1gdt s SER 98 Cb -0.13 0.01 0.67 0.00 0.21 0.00 0.00 66.02 66.78 1gdt s SER 98 CO 0.01 -0.19 1.57 0.35 0.41 0.00 0.00 173.24 175.39 1gdt n THR 99 N 1.16 1.26 -4.39 1.44 -2.24 -0.69 -4.26 114.28 106.56 1gdt n THR 99 Ca -0.20 -1.06 -0.19 0.00 -2.27 0.00 0.00 64.05 60.32 1gdt n THR 99 Cb 0.55 0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1gdt n THR 99 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1gdt s ASP 100 N -0.98 1.98 0.00 3.42 -4.77 -1.26 -4.30 116.67 110.77 1gdt s ASP 100 Ca 0.49 -1.33 0.00 0.00 -3.30 0.00 0.00 52.55 48.42 1gdt s ASP 100 Cb 0.28 -0.01 0.00 0.00 -1.09 0.00 0.00 42.92 42.10 1gdt s ASP 100 CO 0.30 -0.60 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1gdt n GLY 101 N -0.56 -1.81 0.22 2.12 0.00 -1.26 -3.45 105.19 100.45 1gdt n GLY 101 Ca -0.03 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 1gdt n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gdt h GLU 102 N 0.00 0.74 -0.05 1.61 5.08 -2.00 -3.24 114.58 116.73 1gdt h GLU 102 Ca 0.00 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1gdt h GLU 102 Cb 0.00 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1gdt h GLU 102 CO 0.00 0.97 -0.37 0.00 -1.00 0.00 0.00 179.01 178.61 1gdt h MET 103 N 0.51 -0.48 0.00 2.33 -0.00 -1.94 -3.37 114.93 111.98 1gdt h MET 103 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1gdt h MET 103 Cb 0.79 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 1gdt h MET 103 CO 0.06 -0.32 0.00 0.41 -0.00 0.00 0.00 176.91 177.06 1gdt n GLY 104 N -1.43 0.00 0.29 -3.00 0.00 -1.22 -0.01 105.19 99.81 1gdt n GLY 104 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1gdt n GLY 104 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1gdt h LYS 105 N 0.00 -0.08 -0.58 1.61 3.11 -1.77 -1.20 116.57 117.66 1gdt h LYS 105 Ca 0.00 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 1gdt h LYS 105 Cb 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1gdt h LYS 105 CO 0.00 -0.05 0.09 0.52 -2.81 0.00 0.00 179.45 177.19 1gdt h MET 106 N -0.09 0.96 -0.36 1.90 2.86 -0.69 -1.87 114.93 117.64 1gdt h MET 106 Ca 0.27 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1gdt h MET 106 Cb 0.51 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1gdt h MET 106 CO -0.66 0.92 0.04 0.28 1.06 0.00 0.00 176.91 178.55 1gdt h VAL 107 N 0.86 0.78 -0.37 -2.22 2.07 -0.87 0.17 116.25 116.67 1gdt h VAL 107 Ca 0.18 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1gdt h VAL 107 Cb 0.43 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1gdt h VAL 107 CO 0.01 0.03 0.18 0.58 0.02 0.00 0.00 177.57 178.39 1gdt h VAL 108 N 0.15 1.17 -0.17 2.57 2.07 -1.21 0.30 116.25 121.13 1gdt h VAL 108 Ca 0.17 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1gdt h VAL 108 Cb 0.22 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1gdt h VAL 108 CO -0.25 0.18 0.06 0.74 0.02 0.00 0.00 177.57 178.31 1gdt h THR 109 N 0.46 1.08 -0.00 2.57 2.02 -0.59 0.12 112.91 118.57 1gdt h THR 109 Ca 0.13 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1gdt h THR 109 Cb 0.12 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1gdt h THR 109 CO -0.02 0.09 -0.02 0.40 0.37 0.00 0.00 175.52 176.35 1gdt h ILE 110 N 0.23 1.54 -0.46 3.11 2.04 -0.29 -2.70 117.51 120.98 1gdt h ILE 110 Ca 0.06 -1.60 0.06 0.00 1.00 0.00 0.00 64.86 64.37 1gdt h ILE 110 Cb 0.07 2.61 -0.09 0.00 -0.74 0.00 0.00 36.82 38.68 1gdt h ILE 110 CO -0.01 0.42 -0.54 0.25 0.00 0.00 0.00 178.15 178.27 1gdt h LEU 111 N -0.65 -1.84 -1.36 1.44 5.85 -0.00 0.28 115.31 119.03 1gdt h LEU 111 Ca -0.00 0.25 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1gdt h LEU 111 Cb 0.70 0.76 -0.06 0.00 0.37 0.00 0.00 40.66 42.42 1gdt h LEU 111 CO 0.00 -0.39 0.56 0.28 -0.34 0.00 0.00 178.44 178.55 1gdt h SER 112 N -0.36 0.59 0.46 1.25 0.02 -1.09 -2.00 113.55 112.44 1gdt h SER 112 Ca 0.09 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1gdt h SER 112 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1gdt h SER 112 CO -0.63 0.31 -0.22 0.00 -1.14 0.00 0.00 176.83 175.15 1gdt h ALA 113 N 1.61 -0.62 -0.90 3.77 0.00 -0.17 0.41 119.26 123.35 1gdt h ALA 113 Ca 0.43 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.34 1gdt h ALA 113 Cb 0.73 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1gdt h ALA 113 CO -0.18 -0.61 0.58 -0.39 0.00 0.00 0.00 179.25 178.65 1gdt h VAL 114 N -1.11 0.77 -0.15 0.00 -1.51 -0.94 0.11 116.25 113.43 1gdt h VAL 114 Ca -0.06 -0.21 -0.12 0.00 -1.23 0.00 0.00 66.70 65.08 1gdt h VAL 114 Cb 0.53 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1gdt h VAL 114 CO 0.10 0.11 -0.36 0.00 -1.23 0.00 0.00 177.57 176.20 1gdt h ALA 115 N 1.61 0.24 -0.43 5.19 0.00 -1.36 -2.64 119.26 121.88 1gdt h ALA 115 Ca 0.46 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1gdt h ALA 115 Cb 0.88 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1gdt h ALA 115 CO -0.21 0.31 -0.21 0.37 0.00 0.00 0.00 179.25 179.51 1gdt h GLN 116 N 0.13 -0.12 0.46 0.00 4.15 0.23 -1.99 115.11 117.96 1gdt h GLN 116 Ca -0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1gdt h GLN 116 Cb 0.96 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1gdt h GLN 116 CO 0.08 -0.08 -0.23 0.00 -1.93 0.00 0.00 178.83 176.67 1gdt h ALA 117 N 1.16 -0.62 -0.80 3.38 0.00 -1.10 -2.99 119.26 118.29 1gdt h ALA 117 Ca 0.21 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1gdt h ALA 117 Cb 0.45 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1gdt h ALA 117 CO -0.51 -0.85 0.42 1.05 0.00 0.00 0.00 179.25 179.36 1gdt h GLU 118 N -0.63 0.64 -0.85 0.00 4.11 -1.11 0.67 114.58 117.41 1gdt h GLU 118 Ca -0.06 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.44 1gdt h GLU 118 Cb 0.48 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1gdt h GLU 118 CO 0.10 0.42 0.48 -0.09 0.07 0.00 0.00 179.01 179.99 1gdt h ARG 119 N 0.65 0.76 0.04 1.06 2.43 -1.24 -0.24 114.38 117.85 1gdt h ARG 119 Ca 0.41 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1gdt h ARG 119 Cb 0.50 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1gdt h ARG 119 CO -0.31 0.50 -0.02 1.96 -1.51 0.00 0.00 179.97 180.60 1gdt h GLN 120 N 0.79 -0.05 -0.70 0.20 1.08 -0.91 -1.57 115.11 113.93 1gdt h GLN 120 Ca 0.42 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.73 1gdt h GLN 120 Cb 0.42 0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.74 1gdt h GLN 120 CO -0.27 0.40 -0.39 -0.09 -0.95 0.00 0.00 178.83 177.54 1gdt h ARG 121 N -0.53 -0.13 -0.45 1.46 2.43 0.28 0.37 114.38 117.81 1gdt h ARG 121 Ca -0.01 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1gdt h ARG 121 Cb 0.48 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1gdt h ARG 121 CO 0.01 -0.09 -0.15 0.82 -1.51 0.00 0.00 179.97 179.05 1gdt h ILE 122 N -0.14 1.27 0.57 1.20 5.03 -1.11 -2.52 117.51 121.81 1gdt h ILE 122 Ca 0.24 -1.26 -0.03 0.00 -0.12 0.00 0.00 64.86 63.69 1gdt h ILE 122 Cb 0.56 1.08 0.01 0.00 -3.03 0.00 0.00 36.82 35.44 1gdt h ILE 122 CO -0.77 0.43 -0.27 0.25 -0.68 0.00 0.00 178.15 177.11 1gdt h LEU 123 N 0.75 -0.65 -0.80 1.44 5.85 0.27 -1.40 115.31 120.78 1gdt h LEU 123 Ca 0.12 -0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.96 1gdt h LEU 123 Cb 0.67 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.72 1gdt h LEU 123 CO 0.05 -0.37 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.22 1gdt h GLU 124 N -0.91 -0.02 -0.76 1.25 3.07 -0.38 0.21 114.58 117.03 1gdt h GLU 124 Ca -0.08 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1gdt h GLU 124 Cb 0.64 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 1gdt h GLU 124 CO 0.13 -0.01 0.36 0.00 -1.40 0.00 0.00 179.01 178.09 1gdt h ARG 125 N -0.02 1.09 0.02 2.33 3.08 -1.33 0.11 114.38 119.66 1gdt h ARG 125 Ca 0.37 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1gdt h ARG 125 Cb 0.59 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1gdt h ARG 125 CO -0.83 0.85 -0.01 1.15 -1.07 0.00 0.00 179.97 180.06 1gdt h THR 126 N 1.09 1.17 0.57 2.04 2.02 0.47 0.15 112.91 120.41 1gdt h THR 126 Ca 0.26 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1gdt h THR 126 Cb 0.12 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1gdt h THR 126 CO -0.03 0.15 -0.44 0.78 0.37 0.00 0.00 175.52 176.35 1gdt h ASN 127 N -0.29 -1.16 -0.71 4.18 -0.26 -0.72 0.22 115.58 116.84 1gdt h ASN 127 Ca -0.00 0.08 0.16 0.00 -0.56 0.00 0.00 56.30 55.98 1gdt h ASN 127 Cb 0.28 0.36 -0.12 0.00 -1.06 0.00 0.00 38.32 37.78 1gdt h ASN 127 CO 0.01 -0.64 0.07 -0.08 -1.06 0.00 0.00 177.43 175.73 1gdt h GLU 128 N -0.98 0.16 0.00 0.81 4.81 -0.76 -0.09 114.58 118.53 1gdt h GLU 128 Ca -0.07 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1gdt h GLU 128 Cb 0.83 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1gdt h GLU 128 CO 0.01 0.11 -0.58 0.78 -0.73 0.00 0.00 179.01 178.60 1gdt h GLY 129 N 0.16 0.00 1.73 1.92 0.00 -0.32 -2.88 103.07 103.68 1gdt h GLY 129 Ca 0.39 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.54 1gdt h GLY 129 CO -0.57 0.00 -0.78 0.07 0.00 0.00 0.00 176.54 175.26 1gdt h ARG 130 N 0.00 0.25 0.70 4.80 0.11 0.12 -2.44 114.38 117.92 1gdt h ARG 130 Ca -0.01 -0.23 -0.03 0.00 0.10 0.00 0.00 59.98 59.81 1gdt h ARG 130 Cb 1.02 0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.16 1gdt h ARG 130 CO 0.07 0.91 -0.33 1.96 0.10 0.00 0.00 179.97 182.68 1gdt h GLN 131 N 0.16 -0.90 -0.36 0.08 1.08 -0.94 0.34 115.11 114.57 1gdt h GLN 131 Ca -0.03 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1gdt h GLN 131 Cb 1.36 0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.95 1gdt h GLN 131 CO 0.12 -0.60 0.05 0.93 -0.95 0.00 0.00 178.83 178.38 1gdt h GLU 132 N -0.94 0.16 -0.68 1.46 5.08 -1.57 0.20 114.58 118.28 1gdt h GLU 132 Ca -0.10 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1gdt h GLU 132 Cb 0.72 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 1gdt h GLU 132 CO 0.16 0.10 0.24 0.00 -1.00 0.00 0.00 179.01 178.51 1gdt h ALA 133 N 1.28 0.90 -0.25 3.43 0.00 -1.22 0.19 119.26 123.59 1gdt h ALA 133 Ca 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1gdt h ALA 133 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1gdt h ALA 133 CO -0.25 -0.23 0.08 0.52 0.00 0.00 0.00 179.25 179.38 1gdt h MET 134 N 0.39 0.39 -0.82 0.00 2.86 0.82 -0.51 114.93 118.06 1gdt h MET 134 Ca 0.36 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 1gdt h MET 134 Cb 0.52 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 1gdt h MET 134 CO -0.38 0.45 0.53 0.00 1.06 0.00 0.00 176.91 178.58 1gdt h ALA 135 N 0.92 1.59 0.00 6.32 0.00 0.87 0.22 119.26 129.18 1gdt h ALA 135 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gdt h ALA 135 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gdt h ALA 135 CO -0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 1gdt n LYS 136 N -4.48 0.15 -0.14 0.00 5.02 0.52 -4.85 118.16 114.38 1gdt n LYS 136 Ca 0.12 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1gdt n LYS 136 Cb 0.20 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1gdt n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gdt n GLY 137 N -0.05 0.77 3.67 0.72 0.00 0.77 -5.03 105.19 106.04 1gdt n GLY 137 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 1gdt n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gdt n VAL 138 N -2.08 0.06 -3.43 1.61 0.31 -0.23 -4.94 118.33 109.64 1gdt n VAL 138 Ca 0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.94 1gdt n VAL 138 Cb 0.00 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 1gdt n VAL 138 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1gdt s VAL 139 N 1.24 5.18 0.56 2.52 1.01 -1.26 -4.57 120.40 125.09 1gdt s VAL 139 Ca 0.80 0.81 0.07 0.00 0.00 0.00 0.00 61.98 63.66 1gdt s VAL 139 Cb -0.67 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.05 1gdt s VAL 139 CO 0.39 0.41 0.78 -0.36 0.00 0.00 0.00 175.10 176.31 1gdt s PHE 140 N 0.13 1.81 0.09 5.22 0.08 -1.26 -5.05 117.98 119.00 1gdt s PHE 140 Ca 0.23 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.73 1gdt s PHE 140 Cb -0.15 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1gdt s PHE 140 CO 0.09 -1.07 0.00 0.41 -0.10 0.00 0.00 175.22 174.55 1gdt n GLY 141 N -2.26 -1.55 3.68 4.36 0.00 -1.26 -4.83 105.19 103.33 1gdt n GLY 141 Ca 0.14 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1gdt n GLY 141 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gdt n ARG 142 N -2.03 2.79 -2.03 1.61 0.63 -1.26 -4.91 116.66 111.47 1gdt n ARG 142 Ca 0.00 1.02 -0.42 0.00 -0.92 0.00 0.00 57.85 57.52 1gdt n ARG 142 Cb 0.17 -2.93 -0.03 0.00 0.45 0.00 0.00 32.46 30.12 1gdt n ARG 142 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1gdt s LYS 143 N 3.24 4.17 0.22 -0.14 -2.85 -1.26 -4.92 119.74 118.20 1gdt s LYS 143 Ca 0.84 2.15 -0.31 0.00 -1.00 0.00 0.00 55.97 57.65 1gdt s LYS 143 Cb -0.48 -3.98 -0.15 0.00 -2.06 0.00 0.00 37.83 31.17 1gdt s LYS 143 CO 0.39 -0.85 1.20 0.54 0.10 0.00 0.00 175.35 176.73 1gdt n ARG 144 N 7.12 1.46 0.00 1.78 1.74 -1.26 -4.85 116.66 122.65 1gdt n ARG 144 Ca 0.17 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1gdt n ARG 144 Cb 0.43 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 1gdt n ARG 144 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1gdt n LYS 145 N 1.58 3.84 -1.83 5.56 2.85 -1.26 -5.06 118.16 123.85 1gdt n LYS 145 Ca 0.13 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.97 1gdt n LYS 145 Cb 0.28 -0.67 -0.03 0.00 -0.65 0.00 0.00 35.03 33.97 1gdt n LYS 145 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1gdt s ILE 146 N -0.71 2.30 -1.07 0.58 1.01 -1.26 -4.84 121.20 117.21 1gdt s ILE 146 Ca 0.00 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.68 1gdt s ILE 146 Cb 0.00 -3.14 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 1gdt s ILE 146 CO 0.00 0.02 2.06 -0.67 0.00 0.00 0.00 174.94 176.35 1gdt n ASP 147 N 3.86 3.14 -0.34 3.58 2.03 -1.26 -4.75 116.55 122.82 1gdt n ASP 147 Ca 0.14 -2.74 0.23 0.00 0.52 0.00 0.00 54.79 52.94 1gdt n ASP 147 Cb 0.37 -1.35 0.50 0.00 -0.72 0.00 0.00 41.12 39.92 1gdt n ASP 147 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1gdt h ARG 148 N 7.06 0.39 -0.61 -0.67 3.08 -2.00 0.11 114.38 121.73 1gdt h ARG 148 Ca 0.49 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.54 1gdt h ARG 148 Cb 0.65 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1gdt h ARG 148 CO 1.93 0.26 0.39 -0.44 -1.07 0.00 0.00 179.97 181.03 1gdt h ASP 149 N 0.40 0.65 0.18 7.04 3.32 -2.00 -1.78 116.42 124.24 1gdt h ASP 149 Ca 0.63 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.66 1gdt h ASP 149 Cb 1.55 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1gdt h ASP 149 CO -0.35 0.46 -0.09 0.00 -1.72 0.00 0.00 179.24 177.54 1gdt h ALA 150 N 1.25 -0.25 -0.74 3.45 0.00 -1.18 0.91 119.26 122.71 1gdt h ALA 150 Ca 0.24 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1gdt h ALA 150 Cb -0.02 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1gdt h ALA 150 CO -0.08 -0.64 0.36 0.28 0.00 0.00 0.00 179.25 179.16 1gdt h VAL 151 N -0.25 0.80 -0.35 0.00 2.07 -1.28 -1.77 116.25 115.47 1gdt h VAL 151 Ca -0.02 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1gdt h VAL 151 Cb 0.19 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1gdt h VAL 151 CO 0.04 0.11 -0.06 -0.07 0.02 0.00 0.00 177.57 177.61 1gdt h LEU 152 N 0.58 0.66 0.18 2.57 3.38 -0.88 -2.56 115.31 119.24 1gdt h LEU 152 Ca 0.38 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1gdt h LEU 152 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1gdt h LEU 152 CO -0.30 0.85 -0.17 0.78 0.09 0.00 0.00 178.44 179.69 1gdt h ASN 153 N 0.46 -0.45 -0.85 -0.43 -0.26 -0.15 -1.24 115.58 112.65 1gdt h ASN 153 Ca 0.09 0.03 0.18 0.00 -0.56 0.00 0.00 56.30 56.05 1gdt h ASN 153 Cb 0.54 0.15 -0.16 0.00 -1.06 0.00 0.00 38.32 37.79 1gdt h ASN 153 CO 0.03 -0.22 -0.17 0.24 -1.06 0.00 0.00 177.43 176.25 1gdt h MET 154 N -0.34 0.01 -0.70 0.81 2.86 -1.42 0.44 114.93 116.59 1gdt h MET 154 Ca -0.02 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1gdt h MET 154 Cb 0.29 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.88 1gdt h MET 154 CO -0.01 0.01 0.37 2.35 1.06 0.00 0.00 176.91 180.68 1gdt h TRP 155 N 0.01 0.67 -0.21 -0.22 2.91 -1.18 0.16 115.95 118.09 1gdt h TRP 155 Ca 0.42 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.45 1gdt h TRP 155 Cb 0.68 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1gdt h TRP 155 CO -0.62 0.27 0.01 1.96 -1.03 0.00 0.00 178.44 179.04 1gdt h GLN 156 N 0.65 0.30 -1.51 2.65 7.50 0.11 -2.85 115.11 121.95 1gdt h GLN 156 Ca 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.43 1gdt h GLN 156 Cb 0.30 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1gdt h GLN 156 CO -0.23 0.31 0.02 1.04 -1.50 0.00 0.00 178.83 178.46 1gdt n GLN 157 N -4.38 1.03 -1.09 1.46 1.13 0.53 -4.78 117.38 111.28 1gdt n GLN 157 Ca 0.00 -0.07 -0.03 0.00 -1.94 0.00 0.00 57.00 54.96 1gdt n GLN 157 Cb 0.17 -1.03 -0.01 0.00 0.11 0.00 0.00 30.24 29.48 1gdt n GLN 157 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gdt n GLY 158 N 0.98 0.33 3.80 1.08 0.00 -1.07 -4.97 105.19 105.33 1gdt n GLY 158 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1gdt n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gdt s LEU 159 N -0.69 2.71 0.01 0.99 2.01 -1.03 -5.04 118.68 117.63 1gdt s LEU 159 Ca 0.00 1.42 -0.01 0.00 0.01 0.00 0.00 54.13 55.55 1gdt s LEU 159 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 46.19 42.08 1gdt s LEU 159 CO 0.00 -1.92 0.12 -0.83 1.01 0.00 0.00 176.35 174.73 1gdt s GLY 160 N -3.81 2.08 0.24 -3.19 0.00 -1.26 -4.68 107.32 96.69 1gdt s GLY 160 Ca 0.60 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 1gdt s GLY 160 CO 0.55 -0.75 1.69 0.00 0.00 0.00 0.00 173.10 174.58 1gdt h ALA 161 N 3.84 0.89 -0.51 3.20 0.00 -1.99 -1.19 119.26 123.51 1gdt h ALA 161 Ca -0.48 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1gdt h ALA 161 Cb 1.18 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1gdt h ALA 161 CO 0.66 -0.34 0.18 0.77 0.00 0.00 0.00 179.25 180.52 1gdt h SER 162 N 0.26 0.17 -0.16 0.00 0.02 -1.97 -2.02 113.55 109.86 1gdt h SER 162 Ca 0.40 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1gdt h SER 162 Cb 0.66 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1gdt h SER 162 CO -0.50 0.12 0.10 -0.74 -1.14 0.00 0.00 176.83 174.67 1gdt h HIS 163 N 0.35 0.20 -0.88 3.45 6.17 -1.65 -0.57 115.15 122.23 1gdt h HIS 163 Ca 0.25 0.00 0.19 0.00 0.71 0.00 0.00 60.37 61.52 1gdt h HIS 163 Cb 0.27 -0.07 -0.06 0.00 2.52 0.00 0.00 27.41 30.07 1gdt h HIS 163 CO -0.17 0.16 0.58 0.82 0.71 0.00 0.00 177.93 180.04 1gdt h ILE 164 N 0.19 0.71 0.09 6.26 2.04 -0.86 -0.50 117.51 125.43 1gdt h ILE 164 Ca 0.06 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1gdt h ILE 164 Cb 0.02 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1gdt h ILE 164 CO -0.01 0.08 -0.04 0.28 0.00 0.00 0.00 178.15 178.46 1gdt h SER 165 N 0.43 -0.10 -0.87 1.72 0.02 -0.66 -2.68 113.55 111.41 1gdt h SER 165 Ca 0.45 -0.47 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1gdt h SER 165 Cb 1.09 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.59 1gdt h SER 165 CO -0.17 0.56 0.56 0.11 -1.14 0.00 0.00 176.83 176.75 1gdt h LYS 166 N -0.91 0.87 0.07 3.45 1.57 -0.55 0.45 116.57 121.52 1gdt h LYS 166 Ca -0.01 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.42 1gdt h LYS 166 Cb 0.56 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1gdt h LYS 166 CO 0.02 0.57 -1.53 1.79 -0.57 0.00 0.00 179.45 179.73 1gdt h THR 167 N 0.89 1.12 0.00 -0.16 1.35 -1.24 -3.34 112.91 111.53 1gdt h THR 167 Ca 0.39 -2.83 -0.04 0.00 -0.55 0.00 0.00 66.41 63.38 1gdt h THR 167 Cb 0.34 2.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 1gdt h THR 167 CO -0.16 0.76 -0.49 0.24 -0.25 0.00 0.00 175.52 175.63 1gdt h MET 168 N 0.04 0.00 -2.70 4.72 2.86 -1.23 -3.48 114.93 115.13 1gdt h MET 168 Ca -0.23 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 1gdt h MET 168 Cb 1.98 0.00 0.04 0.00 0.06 0.00 0.00 31.60 33.68 1gdt h MET 168 CO 0.13 0.13 -0.18 0.09 1.06 0.00 0.00 176.91 178.13 1gdt n ASN 169 N -3.00 -2.33 -4.29 1.22 3.02 0.15 -5.06 115.26 104.97 1gdt n ASN 169 Ca 0.01 -0.15 -0.16 0.00 -0.03 0.00 0.00 54.58 54.26 1gdt n ASN 169 Cb 0.61 -1.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.03 1gdt n ASN 169 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1gdt s ILE 170 N -3.09 0.99 0.34 2.41 -4.36 -0.97 -5.05 121.20 111.46 1gdt s ILE 170 Ca 0.04 -2.03 -0.27 0.00 -0.26 0.00 0.00 60.65 58.13 1gdt s ILE 170 Cb -0.02 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.41 1gdt s ILE 170 CO 0.18 -0.45 1.11 0.00 0.24 0.00 0.00 174.94 176.03 1gdt s ALA 171 N -3.45 3.29 0.42 2.27 0.00 -1.26 -4.57 121.76 118.46 1gdt s ALA 171 Ca 0.25 0.89 0.14 0.00 0.00 0.00 0.00 51.96 53.24 1gdt s ALA 171 Cb 0.05 -3.33 1.01 0.00 0.00 0.00 0.00 23.12 20.85 1gdt s ALA 171 CO 0.06 -0.28 1.94 0.00 0.00 0.00 0.00 175.76 177.48 1gdt h ARG 172 N 3.24 0.44 -0.30 0.00 3.08 -1.95 -1.59 114.38 117.29 1gdt h ARG 172 Ca -0.48 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.57 1gdt h ARG 172 Cb 1.22 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 1gdt h ARG 172 CO 0.65 0.29 0.14 0.77 -1.07 0.00 0.00 179.97 180.75 1gdt h SER 173 N 0.45 0.20 -0.07 7.04 0.02 -1.99 0.12 113.55 119.32 1gdt h SER 173 Ca 0.34 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.18 1gdt h SER 173 Cb 0.70 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1gdt h SER 173 CO -0.11 0.15 -0.34 0.74 -1.14 0.00 0.00 176.83 176.14 1gdt h THR 174 N 0.30 1.29 0.30 -2.27 2.02 -1.70 0.40 112.91 113.24 1gdt h THR 174 Ca 0.12 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 1gdt h THR 174 Cb 0.05 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1gdt h THR 174 CO -0.09 0.46 -0.14 0.58 0.37 0.00 0.00 175.52 176.70 1gdt h VAL 175 N 0.48 0.74 -0.81 3.16 2.07 -0.93 0.50 116.25 121.46 1gdt h VAL 175 Ca 0.05 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1gdt h VAL 175 Cb 0.82 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1gdt h VAL 175 CO 0.07 0.05 0.36 1.88 0.02 0.00 0.00 177.57 179.95 1gdt h TYR 176 N -0.53 1.20 -0.40 1.57 0.05 -0.70 -2.70 116.97 115.46 1gdt h TYR 176 Ca -0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 1gdt h TYR 176 Cb 0.39 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1gdt h TYR 176 CO -0.02 0.89 0.21 -0.22 -1.05 0.00 0.00 178.16 177.97 1gdt h LYS 177 N 1.16 0.57 -0.17 4.88 3.64 0.11 0.89 116.57 127.64 1gdt h LYS 177 Ca 0.27 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1gdt h LYS 177 Cb 0.17 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1gdt h LYS 177 CO -0.03 0.47 -0.13 0.28 -2.27 0.00 0.00 179.45 177.77 1gdt h VAL 178 N 0.52 0.63 0.51 2.00 2.07 0.20 0.57 116.25 122.74 1gdt h VAL 178 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1gdt h VAL 178 Cb 0.07 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1gdt h VAL 178 CO -0.02 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.72 1gdt h ILE 179 N -0.14 0.49 -0.89 4.57 2.04 -1.27 -2.41 117.51 119.91 1gdt h ILE 179 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1gdt h ILE 179 Cb 0.29 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1gdt h ILE 179 CO -0.26 0.00 0.50 -1.13 0.00 0.00 0.00 178.15 177.27 1gdt h ASN 180 N -0.69 1.09 -0.23 1.72 -1.24 -0.46 -3.11 115.58 112.67 1gdt h ASN 180 Ca -0.07 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.79 1gdt h ASN 180 Cb 0.53 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1gdt h ASN 180 CO 0.11 0.86 -0.10 -0.08 -1.29 0.00 0.00 177.43 176.94 1gdt h GLU 181 N 1.24 0.47 -6.76 6.67 4.81 0.16 -3.45 114.58 117.72 1gdt h GLU 181 Ca 0.31 -0.20 -0.54 0.00 -0.13 0.00 0.00 59.36 58.80 1gdt h GLU 181 Cb -0.00 -0.02 0.21 0.00 0.63 0.00 0.00 28.75 29.57 1gdt h GLU 181 CO -0.05 0.74 -0.51 0.43 -0.73 0.00 0.00 179.01 178.88 1gdt n SER 182 N -4.53 -1.80 -0.87 1.04 7.64 -0.91 -5.10 113.62 109.09 1gdt n SER 182 Ca -0.04 0.40 0.12 0.00 1.01 0.00 0.00 58.87 60.37 1gdt n SER 182 Cb 0.33 -1.21 0.18 0.00 -1.01 0.00 0.00 64.21 62.49 1gdt n SER 182 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62