#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt s HIS 2 N 0.00 3.28 -0.17 1.61 0.09 -1.26 -3.96 115.29 114.88 2gdt s HIS 2 Ca 0.00 0.05 -0.13 0.00 -0.00 0.00 0.00 55.06 54.98 2gdt s HIS 2 Cb 0.00 -1.59 -0.05 0.00 -0.00 0.00 0.00 32.58 30.94 2gdt s HIS 2 CO 0.00 0.52 0.26 0.08 -0.00 0.00 0.00 174.74 175.60 2gdt s VAL 3 N -1.69 5.32 0.29 -0.90 1.01 0.13 -4.80 120.40 119.77 2gdt s VAL 3 Ca 0.32 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 2gdt s VAL 3 Cb -0.11 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 2gdt s VAL 3 CO 0.25 0.39 1.09 -1.58 0.00 0.00 0.00 175.10 175.25 2gdt s GLN 4 N 0.51 4.58 0.12 2.72 0.74 -1.26 0.21 119.66 127.28 2gdt s GLN 4 Ca 0.15 1.75 0.01 0.00 0.05 0.00 0.00 55.36 57.31 2gdt s GLN 4 Cb -0.13 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 2gdt s GLN 4 CO 0.03 0.18 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.42 2gdt s LEU 5 N -1.60 2.22 0.08 3.68 1.43 0.19 -4.92 118.68 119.77 2gdt s LEU 5 Ca 0.46 -1.10 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2gdt s LEU 5 Cb -0.30 0.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 2gdt s LEU 5 CO 0.39 -0.58 -0.13 -0.44 0.23 0.00 0.00 176.35 175.82 2gdt s SER 6 N -3.06 1.62 -0.02 2.29 0.01 -1.26 -0.80 113.70 112.47 2gdt s SER 6 Ca 0.17 -0.68 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 2gdt s SER 6 Cb 0.07 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.29 2gdt s SER 6 CO -0.02 -0.13 0.04 -0.76 0.41 0.00 0.00 173.24 172.78 2gdt s LEU 7 N -1.96 1.01 0.43 2.44 1.43 -0.09 -4.98 118.68 116.96 2gdt s LEU 7 Ca 0.00 0.06 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 2gdt s LEU 7 Cb -0.08 -0.04 -0.08 0.00 0.03 0.00 0.00 46.19 46.02 2gdt s LEU 7 CO 0.02 -0.14 1.24 -2.16 0.23 0.00 0.00 176.35 175.55 2gdt s PRO 8 N 1.12 3.86 -0.32 1.29 0.04 -1.26 -0.53 135.00 139.20 2gdt s PRO 8 Ca -0.09 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2gdt s PRO 8 Cb -0.13 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 2gdt s PRO 8 CO -0.03 -0.53 0.17 0.08 0.04 0.00 0.00 177.00 176.73 2gdt s VAL 9 N -1.36 4.77 -0.07 -0.36 1.01 0.53 -0.48 120.40 124.42 2gdt s VAL 9 Ca 0.60 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.24 2gdt s VAL 9 Cb -0.34 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2gdt s VAL 9 CO 0.43 0.05 -0.14 -0.76 0.00 0.00 0.00 175.10 174.68 2gdt s LEU 10 N 1.64 1.70 0.74 3.92 1.43 -1.19 -0.95 118.68 125.97 2gdt s LEU 10 Ca 0.05 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 2gdt s LEU 10 Cb -0.17 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.16 2gdt s LEU 10 CO 0.07 0.05 1.24 -1.10 0.23 0.00 0.00 176.35 176.84 2gdt s GLN 11 N 0.67 2.05 0.48 1.70 -0.21 -1.26 -4.68 119.66 118.40 2gdt s GLN 11 Ca -0.14 1.88 0.19 0.00 0.02 0.00 0.00 55.36 57.31 2gdt s GLN 11 Cb -0.16 -1.81 1.20 0.00 1.00 0.00 0.00 33.01 33.25 2gdt s GLN 11 CO 0.04 -1.94 2.05 -0.24 -2.12 0.00 0.00 175.29 173.08 2gdt h VAL 12 N -0.27 0.93 -0.01 1.09 3.04 -1.97 -1.70 116.25 117.36 2gdt h VAL 12 Ca -0.48 -0.50 -0.17 0.00 -1.01 0.00 0.00 66.70 64.53 2gdt h VAL 12 Cb 1.31 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 2gdt h VAL 12 CO 0.49 0.14 -0.78 0.08 -1.01 0.00 0.00 177.57 176.49 2gdt h ARG 13 N 0.00 0.15 -0.07 4.17 0.11 -2.00 -3.30 114.38 113.44 2gdt h ARG 13 Ca -0.00 -0.14 -0.25 0.00 0.10 0.00 0.00 59.98 59.69 2gdt h ARG 13 Cb 0.27 0.04 0.02 0.00 1.11 0.00 0.00 29.97 31.40 2gdt h ARG 13 CO 0.02 0.85 -0.92 -0.44 0.10 0.00 0.00 179.97 179.58 2gdt h ASP 14 N 0.09 0.92 0.00 0.08 3.32 -1.69 -3.40 116.42 115.74 2gdt h ASP 14 Ca -0.02 -0.67 -0.54 0.00 0.02 0.00 0.00 57.03 55.81 2gdt h ASP 14 Cb 1.36 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.66 2gdt h ASP 14 CO 0.11 1.47 2.71 0.52 -1.72 0.00 0.00 179.24 182.34 2gdt n VAL 15 N -3.89 2.56 0.15 -1.35 0.31 -0.86 -4.80 118.33 110.45 2gdt n VAL 15 Ca -0.09 -1.81 0.09 0.00 -0.01 0.00 0.00 64.34 62.52 2gdt n VAL 15 Cb 0.82 -2.31 0.13 0.00 -0.91 0.00 0.00 33.84 31.58 2gdt n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdt n LEU 16 N 5.46 0.00 -3.76 7.52 4.77 -1.26 -3.49 117.00 126.24 2gdt n LEU 16 Ca 0.51 0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 2gdt n LEU 16 Cb 0.26 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.13 2gdt n LEU 16 CO 0.86 -0.56 -0.29 0.54 -1.33 0.00 0.00 177.39 176.60 2gdt s VAL 17 N -4.03 1.30 -1.53 4.08 0.11 -1.26 -5.00 120.40 114.05 2gdt s VAL 17 Ca -0.01 -2.05 0.29 0.00 -2.93 0.00 0.00 61.98 57.28 2gdt s VAL 17 Cb 0.04 -1.94 0.49 0.00 -1.53 0.00 0.00 36.38 33.43 2gdt s VAL 17 CO 0.15 -0.77 1.95 0.54 -3.33 0.00 0.00 175.10 173.64 2gdt n ARG 18 N 4.17 0.55 -3.71 1.54 5.12 -1.23 -4.40 116.66 118.71 2gdt n ARG 18 Ca 0.03 -0.11 -0.22 0.00 -1.93 0.00 0.00 57.85 55.62 2gdt n ARG 18 Cb 0.38 -1.50 -0.18 0.00 -1.16 0.00 0.00 32.46 30.01 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2gdt s GLY 19 N -2.52 0.34 0.54 -0.13 0.00 -1.26 -4.75 107.32 99.54 2gdt s GLY 19 Ca 0.29 0.00 0.23 0.00 0.00 0.00 0.00 44.72 45.24 2gdt s GLY 19 CO 0.47 1.31 2.07 0.74 0.00 0.00 0.00 173.10 177.69 2gdt h PHE 20 N 8.39 0.00 -2.78 1.90 0.04 -1.87 -3.46 116.94 119.16 2gdt h PHE 20 Ca -0.15 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.65 2gdt h PHE 20 Cb 1.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 2gdt h PHE 20 CO 0.45 0.00 0.36 0.41 -0.60 0.00 0.00 178.31 178.93 2gdt n GLY 21 N -1.55 0.91 0.42 -1.45 0.00 -1.26 -4.82 105.19 97.44 2gdt n GLY 21 Ca 0.04 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.96 2gdt n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gdt n ASP 22 N -1.41 1.82 -4.32 1.61 5.68 -1.26 -4.59 116.55 114.08 2gdt n ASP 22 Ca -0.06 -1.39 -0.17 0.00 -0.50 0.00 0.00 54.79 52.67 2gdt n ASP 22 Cb 0.55 0.48 -0.10 0.00 -1.14 0.00 0.00 41.12 40.91 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2gdt s SER 23 N -2.53 1.93 0.14 -1.12 0.01 -1.26 -4.68 113.70 106.19 2gdt s SER 23 Ca 0.18 -1.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.11 2gdt s SER 23 Cb 0.18 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 2gdt s SER 23 CO 0.59 -0.45 1.76 0.58 0.41 0.00 0.00 173.24 176.14 2gdt h VAL 24 N 2.52 1.13 0.02 3.43 2.07 -1.93 -0.19 116.25 123.30 2gdt h VAL 24 Ca -0.38 -0.32 -0.24 0.00 0.82 0.00 0.00 66.70 66.58 2gdt h VAL 24 Cb 1.22 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2gdt h VAL 24 CO 0.64 0.14 -0.99 -0.33 0.02 0.00 0.00 177.57 177.04 2gdt h GLU 25 N 0.49 0.41 0.36 1.57 5.08 -1.97 -3.08 114.58 117.44 2gdt h GLU 25 Ca 0.13 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2gdt h GLU 25 Cb 0.02 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2gdt h GLU 25 CO -0.02 1.14 -0.35 0.93 -1.00 0.00 0.00 179.01 179.71 2gdt h GLU 26 N 0.22 -0.67 -0.88 2.33 4.39 -1.84 -0.19 114.58 117.92 2gdt h GLU 26 Ca -0.09 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2gdt h GLU 26 Cb 1.64 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 30.40 2gdt h GLU 26 CO 0.17 -0.45 0.57 0.00 -1.16 0.00 0.00 179.01 178.15 2gdt h ALA 27 N -1.19 1.12 -0.83 3.43 0.00 -1.17 0.00 119.26 120.62 2gdt h ALA 27 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2gdt h ALA 27 Cb 0.60 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2gdt h ALA 27 CO -0.04 0.54 0.47 1.25 0.00 0.00 0.00 179.25 181.47 2gdt h LEU 28 N 1.20 1.04 0.14 0.00 5.85 -1.46 -0.39 115.31 121.68 2gdt h LEU 28 Ca 0.32 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2gdt h LEU 28 Cb -0.12 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.65 2gdt h LEU 28 CO -0.07 0.83 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.52 2gdt h SER 29 N 1.16 -0.16 -0.80 1.25 0.87 0.20 -1.29 113.55 114.78 2gdt h SER 29 Ca 0.29 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2gdt h SER 29 Cb 0.02 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2gdt h SER 29 CO -0.05 0.26 0.53 -0.33 -0.53 0.00 0.00 176.83 176.71 2gdt h GLU 30 N -0.61 1.04 -0.19 2.24 4.39 -1.07 -0.75 114.58 119.62 2gdt h GLU 30 Ca -0.02 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.65 2gdt h GLU 30 Cb 0.47 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 2gdt h GLU 30 CO 0.03 0.69 -0.42 0.00 -1.16 0.00 0.00 179.01 178.14 2gdt h ALA 31 N 1.30 -0.74 -0.13 3.43 0.00 -1.08 0.36 119.26 122.41 2gdt h ALA 31 Ca 0.30 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2gdt h ALA 31 Cb -0.09 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2gdt h ALA 31 CO -0.08 -0.91 0.19 -0.09 0.00 0.00 0.00 179.25 178.36 2gdt h ARG 32 N -0.39 0.00 0.21 0.00 2.43 -0.12 0.19 114.38 116.70 2gdt h ARG 32 Ca 0.04 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 2gdt h ARG 32 Cb 0.49 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2gdt h ARG 32 CO -0.39 0.00 -1.24 1.49 -1.51 0.00 0.00 179.97 178.33 2gdt h GLU 33 N 0.00 0.47 0.00 0.20 4.81 -0.40 -3.31 114.58 116.35 2gdt h GLU 33 Ca 0.06 -0.79 -0.11 0.00 -0.13 0.00 0.00 59.36 58.40 2gdt h GLU 33 Cb 0.44 0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2gdt h GLU 33 CO -0.00 1.37 -0.51 0.45 -0.73 0.00 0.00 179.01 179.59 2gdt h HIS 34 N -0.01 0.00 -0.01 0.92 3.86 0.24 -1.03 115.15 119.11 2gdt h HIS 34 Ca -0.21 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 2gdt h HIS 34 Cb 1.97 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.41 2gdt h HIS 34 CO 0.15 0.51 -0.13 -0.07 0.86 0.00 0.00 177.93 179.25 2gdt h LEU 35 N 0.00 -0.39 -0.86 2.43 4.07 -0.91 0.27 115.31 119.92 2gdt h LEU 35 Ca -0.01 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2gdt h LEU 35 Cb 1.17 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 43.04 2gdt h LEU 35 CO 0.07 -0.19 0.41 0.50 -1.08 0.00 0.00 178.44 178.15 2gdt h LYS 36 N -0.22 1.24 0.00 1.13 3.11 -1.45 -1.19 116.57 119.18 2gdt h LYS 36 Ca 0.05 -0.18 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 2gdt h LYS 36 Cb 0.29 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 2gdt h LYS 36 CO -0.14 0.95 0.00 0.09 -2.81 0.00 0.00 179.45 177.53 2gdt n ASN 37 N -4.30 0.40 -1.36 4.20 3.02 -0.46 -4.90 115.26 111.85 2gdt n ASN 37 Ca 0.09 0.60 -0.17 0.00 -0.03 0.00 0.00 54.58 55.06 2gdt n ASN 37 Cb 0.14 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 2gdt n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gdt n GLY 38 N 0.01 1.53 2.41 7.41 0.00 0.69 -4.92 105.19 112.32 2gdt n GLY 38 Ca 0.03 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2gdt n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gdt n THR 39 N -2.63 3.45 -4.53 2.61 -2.24 0.24 -4.93 114.28 106.25 2gdt n THR 39 Ca -0.17 -3.04 -0.22 0.00 -2.27 0.00 0.00 64.05 58.35 2gdt n THR 39 Cb 0.57 -1.25 -0.15 0.00 -2.10 0.00 0.00 70.33 67.39 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt s GLY 41 N 0.01 2.42 -0.02 0.00 0.00 0.29 -4.33 107.32 105.68 2gdt s GLY 41 Ca -0.01 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.19 2gdt s GLY 41 CO 0.00 -1.89 -0.14 -2.27 0.00 0.00 0.00 173.10 168.80 2gdt s LEU 42 N -3.59 1.95 -0.15 0.66 2.96 0.36 -1.89 118.68 118.98 2gdt s LEU 42 Ca 0.28 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2gdt s LEU 42 Cb 0.06 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.98 2gdt s LEU 42 CO 0.14 0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.48 2gdt s VAL 43 N -0.15 2.69 0.11 1.68 1.01 0.54 -3.19 120.40 123.10 2gdt s VAL 43 Ca 0.02 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 2gdt s VAL 43 Cb -0.08 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2gdt s VAL 43 CO 0.00 0.51 1.74 -1.61 0.00 0.00 0.00 175.10 175.74 2gdt s GLU 44 N 0.80 4.16 0.21 2.72 2.02 -1.26 -1.72 118.70 125.63 2gdt s GLU 44 Ca -0.05 2.48 -0.30 0.00 0.02 0.00 0.00 54.97 57.12 2gdt s GLU 44 Cb -0.15 -3.52 -0.08 0.00 0.10 0.00 0.00 34.13 30.47 2gdt s GLU 44 CO 0.00 -0.78 1.14 -0.51 0.02 0.00 0.00 175.26 175.14 2gdt s LEU 45 N 2.46 4.49 0.29 1.80 1.43 -1.26 -4.91 118.68 122.99 2gdt s LEU 45 Ca 0.77 2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 55.98 2gdt s LEU 45 Cb -0.44 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.18 2gdt s LEU 45 CO 0.34 -0.27 0.52 -1.61 0.23 0.00 0.00 176.35 175.56 2gdt s GLU 46 N -0.62 1.74 0.00 1.70 0.41 -1.26 -5.06 118.70 115.62 2gdt s GLU 46 Ca 0.49 -1.43 -0.01 0.00 -0.41 0.00 0.00 54.97 53.62 2gdt s GLU 46 Cb -0.32 0.48 -0.00 0.00 -1.78 0.00 0.00 34.13 32.51 2gdt s GLU 46 CO 0.38 -0.74 0.79 -0.22 -0.49 0.00 0.00 175.26 174.98 2gdt h LYS 47 N 2.18 -0.02 -1.34 1.61 1.63 -2.03 -3.21 116.57 115.39 2gdt h LYS 47 Ca -0.27 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.38 2gdt h LYS 47 Cb 1.25 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.80 2gdt h LYS 47 CO 0.37 -0.01 0.19 0.41 -3.45 0.00 0.00 179.45 176.96 2gdt n GLY 48 N -0.36 2.97 0.24 5.01 0.00 -1.26 -4.04 105.19 107.75 2gdt n GLY 48 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 2gdt n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdt n VAL 49 N 0.45 1.39 -0.25 1.61 0.31 -1.21 -4.61 118.33 116.02 2gdt n VAL 49 Ca 0.16 0.19 0.03 0.00 -0.01 0.00 0.00 64.34 64.71 2gdt n VAL 49 Cb 0.68 -2.20 0.12 0.00 -0.91 0.00 0.00 33.84 31.53 2gdt n VAL 49 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gdt h LEU 50 N -0.81 -0.51 0.00 7.52 3.38 -1.70 -0.83 115.31 122.36 2gdt h LEU 50 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gdt h LEU 50 Cb 0.81 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2gdt h LEU 50 CO 0.00 -0.21 0.00 -0.81 0.09 0.00 0.00 178.44 177.51 2gdt n PRO 51 N -5.41 0.48 0.00 1.13 -0.04 -1.26 -1.93 135.00 127.96 2gdt n PRO 51 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2gdt n PRO 51 Cb 0.41 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2gdt n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2gdt n GLN 52 N -0.94 0.49 -1.91 0.54 6.02 -0.36 -5.04 117.38 116.17 2gdt n GLN 52 Ca 0.10 -0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 56.46 2gdt n GLN 52 Cb 0.05 -0.82 0.17 0.00 1.02 0.00 0.00 30.24 30.65 2gdt n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gdt s LEU 53 N -0.33 2.65 0.00 1.08 1.43 -0.82 -5.06 118.68 117.63 2gdt s LEU 53 Ca 0.00 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 2gdt s LEU 53 Cb 0.00 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2gdt s LEU 53 CO 0.00 -2.61 0.00 -1.84 0.23 0.00 0.00 176.35 172.13 2gdt n GLU 54 N -3.70 0.00 0.13 1.70 -0.00 -1.26 -5.03 120.64 112.47 2gdt n GLU 54 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 2gdt n GLU 54 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.04 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2gdt n GLN 55 N 0.00 0.00 -2.23 3.44 6.02 -1.26 -5.00 117.38 118.34 2gdt n GLN 55 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2gdt n GLN 55 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2gdt s PRO 56 N -1.54 2.96 -0.49 -1.09 0.04 -1.25 -3.81 135.00 129.81 2gdt s PRO 56 Ca 0.00 -1.22 -0.29 0.00 0.04 0.00 0.00 61.00 59.54 2gdt s PRO 56 Cb 0.00 -5.30 0.02 0.00 0.04 0.00 0.00 34.50 29.27 2gdt s PRO 56 CO 0.00 -3.31 1.26 0.71 0.04 0.00 0.00 177.00 175.69 2gdt s TYR 57 N 8.71 2.59 -0.96 0.56 2.02 -0.61 -4.69 117.35 124.98 2gdt s TYR 57 Ca 0.63 0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 57.70 2gdt s TYR 57 Cb -0.01 -4.42 0.01 0.00 -0.40 0.00 0.00 41.96 37.15 2gdt s TYR 57 CO 0.08 -1.62 1.63 0.08 -1.57 0.00 0.00 175.55 174.15 2gdt s VAL 58 N 5.04 3.73 0.73 0.71 1.01 -1.26 -2.79 120.40 127.57 2gdt s VAL 58 Ca 0.51 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2gdt s VAL 58 Cb -0.09 -4.65 0.03 0.00 0.00 0.00 0.00 36.38 31.67 2gdt s VAL 58 CO 0.30 -1.56 1.11 -0.36 0.00 0.00 0.00 175.10 174.59 2gdt s PHE 59 N 6.93 3.22 -0.15 5.22 0.08 0.72 -0.30 117.98 133.69 2gdt s PHE 59 Ca 0.55 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.62 2gdt s PHE 59 Cb -0.03 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.31 2gdt s PHE 59 CO -0.05 -1.33 -0.13 0.96 -0.10 0.00 0.00 175.22 174.57 2gdt s ILE 60 N -3.36 1.53 0.06 0.64 -4.36 -0.74 -1.38 121.20 113.58 2gdt s ILE 60 Ca 0.59 -0.63 0.08 0.00 -0.26 0.00 0.00 60.65 60.43 2gdt s ILE 60 Cb -0.11 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 2gdt s ILE 60 CO 0.52 0.43 -0.22 -1.59 0.24 0.00 0.00 174.94 174.33 2gdt s LYS 61 N 1.50 1.39 0.00 0.37 -2.85 -0.91 -0.70 119.74 118.54 2gdt s LYS 61 Ca 0.05 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 2gdt s LYS 61 Cb -0.13 -1.55 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 2gdt s LYS 61 CO -0.10 0.39 0.35 2.89 0.10 0.00 0.00 175.35 178.98 2gdt n ARG 62 N 1.68 0.46 -1.13 1.78 1.85 -0.74 -1.04 116.66 119.52 2gdt n ARG 62 Ca -0.18 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.82 2gdt n ARG 62 Cb 0.53 -1.25 -0.05 0.00 -1.05 0.00 0.00 32.46 30.64 2gdt n ARG 62 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2gdt n SER 63 N 0.53 -6.78 0.00 2.89 2.88 -1.26 -4.66 113.62 107.22 2gdt n SER 63 Ca 0.00 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2gdt n SER 63 Cb 0.17 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.98 2gdt n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gdt n ASP 64 N -3.92 0.35 -2.54 -3.46 8.00 -1.26 -4.67 116.55 109.05 2gdt n ASP 64 Ca -0.03 -0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.10 2gdt n ASP 64 Cb 0.53 0.10 0.06 0.00 -0.02 0.00 0.00 41.12 41.78 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gdt n ALA 65 N -0.13 6.38 0.04 2.24 0.00 -1.26 -4.45 120.51 123.32 2gdt n ALA 65 Ca 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.79 2gdt n ALA 65 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2gdt n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gdt n LEU 66 N -0.68 -0.36 -3.32 0.00 4.77 -1.26 -5.05 117.00 111.10 2gdt n LEU 66 Ca 0.58 0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.43 2gdt n LEU 66 Cb 0.49 0.49 0.03 0.00 -2.33 0.00 0.00 43.42 42.10 2gdt n LEU 66 CO 0.66 -0.48 -0.15 -0.24 -1.33 0.00 0.00 177.39 175.85 2gdt n SER 67 N -2.72 -6.26 -3.99 -1.43 2.88 -1.26 -3.83 113.62 97.01 2gdt n SER 67 Ca 0.00 -0.02 -0.31 0.00 -1.33 0.00 0.00 58.87 57.21 2gdt n SER 67 Cb 0.00 -2.90 0.01 0.00 -0.75 0.00 0.00 64.21 60.57 2gdt n SER 67 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2gdt n THR 68 N -0.50 -2.06 0.03 2.46 5.66 -1.26 -4.93 114.28 113.68 2gdt n THR 68 Ca -0.04 -0.09 -0.02 0.00 -3.05 0.00 0.00 64.05 60.85 2gdt n THR 68 Cb 0.61 -2.59 -0.01 0.00 -1.55 0.00 0.00 70.33 66.80 2gdt n THR 68 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 2gdt h ASN 69 N -1.89 -0.09 -5.28 1.09 -1.24 -1.97 -3.50 115.58 102.70 2gdt h ASN 69 Ca -0.59 0.00 0.10 0.00 0.71 0.00 0.00 56.30 56.52 2gdt h ASN 69 Cb 1.38 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 40.43 2gdt h ASN 69 CO 0.69 0.04 0.49 -1.38 -1.29 0.00 0.00 177.43 175.98 2gdt s HIS 70 N -1.88 0.11 0.00 0.67 -3.43 -1.26 -5.19 115.29 104.30 2gdt s HIS 70 Ca -0.01 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 2gdt s HIS 70 Cb 0.00 0.75 0.00 0.00 -1.43 0.00 0.00 32.58 31.91 2gdt s HIS 70 CO 0.04 -1.15 0.00 0.41 -2.00 0.00 0.00 174.74 172.04 2gdt n GLY 71 N -0.67 0.26 3.59 -1.38 0.00 -1.26 -5.00 105.19 100.74 2gdt n GLY 71 Ca -0.04 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 2gdt n GLY 71 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gdt s HIS 72 N -1.01 1.61 -1.47 1.61 3.76 -1.26 -4.90 115.29 113.63 2gdt s HIS 72 Ca 0.00 1.39 -0.14 0.00 -0.15 0.00 0.00 55.06 56.17 2gdt s HIS 72 Cb 0.00 -3.19 0.03 0.00 1.11 0.00 0.00 32.58 30.53 2gdt s HIS 72 CO 0.00 -3.28 2.27 1.63 -0.85 0.00 0.00 174.74 174.52 2gdt n LYS 73 N -4.52 2.91 -0.56 1.40 5.02 -1.26 -4.95 118.16 116.19 2gdt n LYS 73 Ca 0.07 -2.58 -0.30 0.00 -2.02 0.00 0.00 58.31 53.48 2gdt n LYS 73 Cb 0.54 -3.26 0.22 0.00 -0.02 0.00 0.00 35.03 32.51 2gdt n LYS 73 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2gdt n VAL 74 N 5.00 0.00 -4.13 -0.18 0.24 -1.26 -3.88 118.33 114.12 2gdt n VAL 74 Ca 0.54 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 62.42 2gdt n VAL 74 Cb 0.38 -0.96 -0.05 0.00 -1.47 0.00 0.00 33.84 31.74 2gdt n VAL 74 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2gdt n VAL 75 N -4.68 0.00 -4.06 3.34 0.24 -0.52 -4.26 118.33 108.40 2gdt n VAL 75 Ca 0.06 -1.75 -0.09 0.00 -2.04 0.00 0.00 64.34 60.52 2gdt n VAL 75 Cb 0.54 0.93 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 2gdt n VAL 75 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2gdt s GLU 76 N -2.92 0.99 0.19 7.34 0.41 -0.20 -3.75 118.70 120.77 2gdt s GLU 76 Ca 0.29 -1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 53.24 2gdt s GLU 76 Cb 0.01 0.30 -0.08 0.00 -1.78 0.00 0.00 34.13 32.57 2gdt s GLU 76 CO 0.20 -0.31 1.16 -0.51 -0.49 0.00 0.00 175.26 175.31 2gdt s LEU 77 N -3.00 4.47 0.11 1.80 1.43 -1.26 -2.14 118.68 120.09 2gdt s LEU 77 Ca 0.20 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 2gdt s LEU 77 Cb 0.06 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2gdt s LEU 77 CO -0.00 -0.31 -0.00 -0.69 0.23 0.00 0.00 176.35 175.57 2gdt s VAL 78 N -0.23 0.39 0.01 -1.59 1.01 -0.48 -4.95 120.40 114.56 2gdt s VAL 78 Ca 0.51 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2gdt s VAL 78 Cb -0.32 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 2gdt s VAL 78 CO 0.37 -0.68 -0.02 0.00 0.00 0.00 0.00 175.10 174.77 2gdt s ALA 79 N -3.84 0.11 -0.06 5.51 0.00 -1.26 -0.20 121.76 122.02 2gdt s ALA 79 Ca 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 2gdt s ALA 79 Cb 0.07 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2gdt s ALA 79 CO -0.02 -0.04 0.15 -1.21 0.00 0.00 0.00 175.76 174.65 2gdt s GLU 80 N -0.55 0.15 0.46 0.00 0.41 -1.12 -4.93 118.70 113.13 2gdt s GLU 80 Ca -0.05 0.28 0.14 0.00 -0.41 0.00 0.00 54.97 54.93 2gdt s GLU 80 Cb -0.04 -0.02 1.08 0.00 -1.78 0.00 0.00 34.13 33.38 2gdt s GLU 80 CO -0.00 -0.08 2.05 1.98 -0.49 0.00 0.00 175.26 178.72 2gdt h MET 81 N 6.44 0.29 0.00 1.61 1.85 -1.91 -1.53 114.93 121.69 2gdt h MET 81 Ca -0.32 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 2gdt h MET 81 Cb 1.18 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.14 2gdt h MET 81 CO 0.42 0.19 -0.03 -3.47 -0.40 0.00 0.00 176.91 173.62 2gdt n ASP 82 N -4.48 0.75 -3.92 1.39 -0.08 -1.25 -3.91 116.55 105.05 2gdt n ASP 82 Ca 0.05 -1.45 -0.29 0.00 -1.51 0.00 0.00 54.79 51.59 2gdt n ASP 82 Cb 0.23 -0.02 -0.01 0.00 2.34 0.00 0.00 41.12 43.66 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2gdt n GLY 83 N -0.21 -0.45 0.34 0.27 0.00 -1.02 -4.88 105.19 99.24 2gdt n GLY 83 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.41 2gdt n GLY 83 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gdt h ILE 84 N -1.91 0.05 -3.14 -0.61 5.03 -1.94 -3.43 117.51 111.57 2gdt h ILE 84 Ca -0.65 -0.01 -0.15 0.00 -0.12 0.00 0.00 64.86 63.93 2gdt h ILE 84 Cb 1.38 0.03 -0.04 0.00 -3.03 0.00 0.00 36.82 35.15 2gdt h ILE 84 CO 0.59 0.00 -0.14 0.00 -0.68 0.00 0.00 178.15 177.92 2gdt n GLN 85 N -5.46 0.44 0.00 2.37 1.13 -1.26 -5.01 117.38 109.58 2gdt n GLN 85 Ca 0.23 -1.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.29 2gdt n GLN 85 Cb 0.76 0.69 0.00 0.00 0.11 0.00 0.00 30.24 31.80 2gdt n GLN 85 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2gdt n TYR 86 N -0.22 0.00 -0.25 1.08 4.01 -1.26 -4.59 117.16 115.92 2gdt n TYR 86 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 2gdt n TYR 86 Cb 0.18 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.39 2gdt n TYR 86 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gdt h GLY 87 N 0.00 1.09 -4.95 2.72 0.00 -1.95 -3.36 103.07 96.62 2gdt h GLY 87 Ca 0.00 -0.10 -0.58 0.00 0.00 0.00 0.00 47.33 46.64 2gdt h GLY 87 CO 0.00 -0.14 -0.10 -1.60 0.00 0.00 0.00 176.54 174.70 2gdt s ARG 88 N -6.03 4.16 0.00 4.80 3.52 -1.26 -4.84 118.95 119.30 2gdt s ARG 88 Ca -0.13 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2gdt s ARG 88 Cb 0.21 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 2gdt s ARG 88 CO 0.76 0.53 0.00 0.45 -0.81 0.00 0.00 175.30 176.23 2gdt n SER 89 N 2.26 0.00 -0.20 -2.12 2.88 -1.26 -4.91 113.62 110.27 2gdt n SER 89 Ca -0.10 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.48 2gdt n SER 89 Cb 0.51 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.05 2gdt n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gdt n GLY 90 N 0.28 3.47 0.27 0.46 0.00 -1.26 -4.28 105.19 104.13 2gdt n GLY 90 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 2gdt n GLY 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gdt h ILE 91 N 0.51 1.02 -3.82 -0.61 2.10 -1.91 -3.43 117.51 111.37 2gdt h ILE 91 Ca 0.00 -0.26 -0.48 0.00 1.08 0.00 0.00 64.86 65.19 2gdt h ILE 91 Cb 0.73 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.63 2gdt h ILE 91 CO 0.02 0.14 0.17 -0.89 -1.08 0.00 0.00 178.15 176.51 2gdt s THR 92 N -6.10 4.64 -0.15 2.19 2.01 -1.26 -1.79 115.64 115.18 2gdt s THR 92 Ca -0.13 0.98 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 2gdt s THR 92 Cb 0.16 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.94 2gdt s THR 92 CO 0.76 -0.33 -0.16 0.18 -0.69 0.00 0.00 174.62 174.39 2gdt n LEU 93 N -0.74 2.26 0.00 4.42 4.77 0.12 -4.97 117.00 122.86 2gdt n LEU 93 Ca 0.04 0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2gdt n LEU 93 Cb 0.54 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2gdt n LEU 93 CO 0.43 0.58 0.04 0.61 -1.33 0.00 0.00 177.39 177.72 2gdt n GLY 94 N 2.51 1.62 3.35 -0.72 0.00 -1.25 -4.02 105.19 106.67 2gdt n GLY 94 Ca -0.28 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 2gdt n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gdt s VAL 95 N -2.76 1.98 0.14 1.61 1.01 -0.70 -1.80 120.40 119.89 2gdt s VAL 95 Ca 0.01 -1.85 0.05 0.00 0.00 0.00 0.00 61.98 60.19 2gdt s VAL 95 Cb -0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2gdt s VAL 95 CO 0.01 -0.16 0.12 -0.76 0.00 0.00 0.00 175.10 174.30 2gdt s LEU 96 N -2.44 3.80 0.06 3.92 1.43 0.59 -0.34 118.68 125.70 2gdt s LEU 96 Ca 0.15 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2gdt s LEU 96 Cb -0.08 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2gdt s LEU 96 CO 0.07 0.10 0.24 0.68 0.23 0.00 0.00 176.35 177.66 2gdt s VAL 97 N -1.66 0.11 -0.21 -1.59 -7.23 -0.79 -4.52 120.40 104.51 2gdt s VAL 97 Ca 0.30 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 2gdt s VAL 97 Cb -0.11 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2gdt s VAL 97 CO 0.23 -0.50 1.65 -2.16 -0.31 0.00 0.00 175.10 174.00 2gdt s PRO 98 N -3.07 3.79 0.07 4.82 0.04 -1.26 -0.55 135.00 138.84 2gdt s PRO 98 Ca -0.01 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 2gdt s PRO 98 Cb 0.01 -4.05 -0.07 0.00 0.04 0.00 0.00 34.50 30.44 2gdt s PRO 98 CO -0.07 -1.30 1.36 -1.58 0.04 0.00 0.00 177.00 175.45 2gdt s HIS 99 N 5.26 3.15 -0.28 0.56 2.46 0.07 -4.79 115.29 121.73 2gdt s HIS 99 Ca 0.73 0.97 0.12 0.00 0.47 0.00 0.00 55.06 57.36 2gdt s HIS 99 Cb -0.26 -3.63 0.47 0.00 -0.13 0.00 0.00 32.58 29.04 2gdt s HIS 99 CO 0.30 -2.20 1.17 1.33 -2.47 0.00 0.00 174.74 172.87 2gdt n VAL 100 N 4.18 2.11 -3.83 0.89 0.24 -1.26 -4.50 118.33 116.14 2gdt n VAL 100 Ca 0.12 -3.77 -0.30 0.00 -2.04 0.00 0.00 64.34 58.35 2gdt n VAL 100 Cb 0.43 -0.33 0.01 0.00 -1.47 0.00 0.00 33.84 32.49 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gdt n GLY 101 N -0.67 -0.62 0.00 7.63 0.00 -1.26 -4.98 105.19 105.28 2gdt n GLY 101 Ca 0.32 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2gdt n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gdt n GLU 102 N -4.35 0.00 -2.96 1.61 4.07 -1.26 -5.07 120.64 112.68 2gdt n GLU 102 Ca -0.20 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.89 2gdt n GLU 102 Cb 0.63 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.02 2gdt n GLU 102 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2gdt s THR 103 N 0.62 -0.88 0.63 6.31 2.01 -1.26 -5.15 115.64 117.91 2gdt s THR 103 Ca 0.00 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 2gdt s THR 103 Cb 0.00 0.00 -0.02 0.00 0.01 0.00 0.00 72.50 72.49 2gdt s THR 103 CO 0.00 0.00 1.18 -2.16 -0.69 0.00 0.00 174.62 172.95 2gdt s PRO 104 N 1.42 2.82 -0.15 4.92 0.04 -1.26 -4.68 135.00 138.12 2gdt s PRO 104 Ca 0.22 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 2gdt s PRO 104 Cb -0.01 -1.92 -0.24 0.00 0.04 0.00 0.00 34.50 32.37 2gdt s PRO 104 CO -0.07 -1.30 0.26 0.44 0.04 0.00 0.00 177.00 176.37 2gdt n ILE 105 N -1.92 1.71 -3.97 0.56 -0.00 -0.12 -5.00 119.36 110.61 2gdt n ILE 105 Ca 0.13 -0.65 -0.09 0.00 -0.00 0.00 0.00 62.75 62.14 2gdt n ILE 105 Cb 0.50 -1.60 -0.03 0.00 -0.00 0.00 0.00 39.64 38.51 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gdt n ALA 106 N -3.02 0.07 -2.45 -1.28 0.00 -1.23 -5.02 120.51 107.59 2gdt n ALA 106 Ca -0.34 -0.92 -0.16 0.00 0.00 0.00 0.00 53.44 52.02 2gdt n ALA 106 Cb 1.04 0.75 -0.11 0.00 0.00 0.00 0.00 19.45 21.13 2gdt n ALA 106 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gdt s TYR 107 N -3.36 1.23 -0.12 0.00 1.51 -1.26 -0.35 117.35 115.00 2gdt s TYR 107 Ca 0.18 -0.63 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 2gdt s TYR 107 Cb 0.00 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 2gdt s TYR 107 CO 0.13 0.07 -0.14 0.50 -1.11 0.00 0.00 175.55 175.00 2gdt s ARG 108 N -2.92 2.17 0.27 -0.62 6.06 0.31 -4.88 118.95 119.34 2gdt s ARG 108 Ca 0.09 -0.53 -0.15 0.00 -2.50 0.00 0.00 55.73 52.64 2gdt s ARG 108 Cb -0.03 -1.92 -0.08 0.00 0.06 0.00 0.00 34.95 32.98 2gdt s ARG 108 CO 0.01 -0.13 0.68 0.54 -2.50 0.00 0.00 175.30 173.91 2gdt s ASN 109 N 1.19 6.82 0.25 -2.12 2.20 -1.26 -0.92 114.94 121.10 2gdt s ASN 109 Ca -0.02 1.23 -0.09 0.00 -0.94 0.00 0.00 52.86 53.04 2gdt s ASN 109 Cb -0.14 -2.35 -0.01 0.00 -2.00 0.00 0.00 41.25 36.75 2gdt s ASN 109 CO -0.05 -0.10 0.40 0.68 -2.94 0.00 0.00 177.10 175.09 2gdt s VAL 110 N -1.80 0.00 0.32 3.54 -7.23 0.02 -4.98 120.40 110.27 2gdt s VAL 110 Ca 0.49 -1.57 0.09 0.00 -1.81 0.00 0.00 61.98 59.18 2gdt s VAL 110 Cb -0.12 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2gdt s VAL 110 CO 0.19 0.00 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.22 2gdt s LEU 111 N -3.08 3.02 -0.03 1.32 2.01 -1.25 -0.64 118.68 120.03 2gdt s LEU 111 Ca 0.27 -0.89 0.04 0.00 0.01 0.00 0.00 54.13 53.56 2gdt s LEU 111 Cb 0.01 -1.45 -0.00 0.00 0.01 0.00 0.00 46.19 44.76 2gdt s LEU 111 CO 0.11 -0.16 -0.13 -0.22 1.01 0.00 0.00 176.35 176.96 2gdt s LEU 112 N -3.70 1.88 0.66 1.79 0.20 0.13 -1.44 118.68 118.21 2gdt s LEU 112 Ca 0.34 -0.26 -0.17 0.00 0.69 0.00 0.00 54.13 54.73 2gdt s LEU 112 Cb -0.02 -0.74 -0.00 0.00 -0.43 0.00 0.00 46.19 45.00 2gdt s LEU 112 CO 0.19 0.12 1.23 -0.60 -0.29 0.00 0.00 176.35 177.00 2gdt s ARG 113 N 0.03 2.54 0.22 1.98 3.52 -1.25 -0.69 118.95 125.30 2gdt s ARG 113 Ca -0.02 1.86 -0.07 0.00 -0.13 0.00 0.00 55.73 57.37 2gdt s ARG 113 Cb -0.09 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.41 2gdt s ARG 113 CO 0.01 -1.55 0.31 0.21 -0.81 0.00 0.00 175.30 173.47 2gdt s LYS 114 N -3.58 1.38 0.00 5.12 2.20 -1.25 -4.74 119.74 118.86 2gdt s LYS 114 Ca 0.77 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2gdt s LYS 114 Cb -0.32 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2gdt s LYS 114 CO 0.40 -0.52 0.00 0.09 -0.36 0.00 0.00 175.35 174.95 2gdt n ASN 115 N -0.33 3.71 0.00 1.43 4.13 -1.26 -4.89 115.26 118.05 2gdt n ASN 115 Ca -0.00 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2gdt n ASN 115 Cb 0.64 0.93 0.00 0.00 -1.54 0.00 0.00 39.78 39.81 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15