#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt n HIS 2 N 0.00 -2.39 -4.17 1.61 -0.00 -1.26 -4.97 115.22 104.04 2gdt n HIS 2 Ca 0.00 1.28 -0.34 0.00 -0.00 0.00 0.00 57.72 58.66 2gdt n HIS 2 Cb 0.00 -2.17 -0.08 0.00 -0.00 0.00 0.00 29.99 27.74 2gdt n HIS 2 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2gdt s VAL 3 N -3.17 4.62 0.17 1.59 1.01 -0.09 -4.89 120.40 119.64 2gdt s VAL 3 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2gdt s VAL 3 Cb 0.00 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 2gdt s VAL 3 CO 0.00 0.44 0.65 -1.58 0.00 0.00 0.00 175.10 174.61 2gdt s GLN 4 N -1.44 4.18 0.01 2.72 0.74 -1.26 -0.12 119.66 124.49 2gdt s GLN 4 Ca 0.19 0.75 0.01 0.00 0.05 0.00 0.00 55.36 56.37 2gdt s GLN 4 Cb -0.12 -2.99 -0.01 0.00 1.10 0.00 0.00 33.01 31.00 2gdt s GLN 4 CO 0.10 0.48 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.77 2gdt s LEU 5 N -1.76 2.06 0.11 3.68 1.43 -0.11 -4.91 118.68 119.19 2gdt s LEU 5 Ca 0.38 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2gdt s LEU 5 Cb -0.17 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 2gdt s LEU 5 CO 0.20 -0.03 -0.18 -0.44 0.23 0.00 0.00 176.35 176.13 2gdt s SER 6 N -0.41 2.33 -0.02 2.29 0.01 -1.26 -0.77 113.70 115.87 2gdt s SER 6 Ca -0.02 -0.73 -0.05 0.00 1.31 0.00 0.00 55.95 56.46 2gdt s SER 6 Cb -0.03 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2gdt s SER 6 CO -0.00 -0.02 0.10 -0.76 0.41 0.00 0.00 173.24 172.97 2gdt s LEU 7 N -2.13 1.65 0.09 2.44 1.43 0.03 -4.98 118.68 117.21 2gdt s LEU 7 Ca 0.07 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.82 2gdt s LEU 7 Cb -0.08 0.46 -0.07 0.00 0.03 0.00 0.00 46.19 46.53 2gdt s LEU 7 CO 0.04 -0.20 1.40 -2.16 0.23 0.00 0.00 176.35 175.65 2gdt s PRO 8 N -0.71 4.31 -0.48 1.29 0.04 -1.26 -0.45 135.00 137.74 2gdt s PRO 8 Ca -0.08 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 2gdt s PRO 8 Cb -0.05 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2gdt s PRO 8 CO 0.01 -0.46 1.00 0.08 0.04 0.00 0.00 177.00 177.66 2gdt s VAL 9 N 1.35 4.36 0.58 -0.36 1.01 0.62 -0.57 120.40 127.39 2gdt s VAL 9 Ca 0.65 0.82 0.02 0.00 0.00 0.00 0.00 61.98 63.47 2gdt s VAL 9 Cb -0.36 -4.51 0.05 0.00 0.00 0.00 0.00 36.38 31.56 2gdt s VAL 9 CO 0.30 -0.95 0.80 -0.76 0.00 0.00 0.00 175.10 174.49 2gdt s LEU 10 N 4.04 3.23 0.04 3.92 1.43 -0.22 -1.63 118.68 129.50 2gdt s LEU 10 Ca 0.39 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2gdt s LEU 10 Cb -0.09 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2gdt s LEU 10 CO 0.27 -1.27 0.29 -1.10 0.23 0.00 0.00 176.35 174.78 2gdt s GLN 11 N -4.80 3.59 0.58 1.70 -1.52 -1.26 -4.53 119.66 113.42 2gdt s GLN 11 Ca 0.59 -0.08 0.28 0.00 -1.95 0.00 0.00 55.36 54.20 2gdt s GLN 11 Cb -0.09 -3.03 1.59 0.00 -0.22 0.00 0.00 33.01 31.26 2gdt s GLN 11 CO 0.39 0.61 2.05 -0.24 -0.25 0.00 0.00 175.29 177.85 2gdt h VAL 12 N 2.77 0.48 0.00 1.09 3.04 -1.94 -1.08 116.25 120.62 2gdt h VAL 12 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2gdt h VAL 12 Cb 1.19 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2gdt h VAL 12 CO 0.68 0.00 0.00 0.03 -1.01 0.00 0.00 177.57 177.27 2gdt h ARG 13 N 0.00 0.00 0.00 4.17 3.08 -2.01 -3.19 114.38 116.42 2gdt h ARG 13 Ca 0.12 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.82 2gdt h ARG 13 Cb 0.65 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 2gdt h ARG 13 CO -0.00 0.00 -2.33 -0.25 -1.07 0.00 0.00 179.97 176.32 2gdt n ASP 14 N -2.65 0.82 -3.34 7.04 8.00 -0.46 -4.73 116.55 121.22 2gdt n ASP 14 Ca 0.04 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 2gdt n ASP 14 Cb 0.41 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 42.06 2gdt n ASP 14 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2gdt n VAL 15 N -2.85 2.01 0.00 2.53 0.31 -0.89 -4.78 118.33 114.66 2gdt n VAL 15 Ca -0.34 -1.39 0.00 0.00 -0.01 0.00 0.00 64.34 62.60 2gdt n VAL 15 Cb 1.07 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 5.59 0.00 -3.53 7.52 4.77 -1.26 -3.50 117.00 126.59 2gdt n LEU 16 Ca 0.44 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.46 2gdt n LEU 16 Cb 0.23 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 2gdt n LEU 16 CO 0.83 -0.21 -0.18 0.54 -1.33 0.00 0.00 177.39 177.04 2gdt s VAL 17 N -2.34 -0.36 -1.94 4.08 0.11 -1.26 -5.02 120.40 113.67 2gdt s VAL 17 Ca 0.00 0.02 0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2gdt s VAL 17 Cb 0.00 -0.60 0.29 0.00 -1.53 0.00 0.00 36.38 34.54 2gdt s VAL 17 CO 0.00 -0.10 1.23 0.54 -3.33 0.00 0.00 175.10 173.44 2gdt n ARG 18 N 5.33 1.79 -3.54 1.54 3.00 -1.23 -4.58 116.66 118.97 2gdt n ARG 18 Ca -0.05 -1.17 -0.41 0.00 -0.01 0.00 0.00 57.85 56.21 2gdt n ARG 18 Cb 0.50 -1.28 -0.11 0.00 0.00 0.00 0.00 32.46 31.57 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2gdt s GLY 19 N -0.97 1.96 0.29 -0.13 0.00 -1.26 -4.69 107.32 102.51 2gdt s GLY 19 Ca 0.22 -1.53 0.26 0.00 0.00 0.00 0.00 44.72 43.67 2gdt s GLY 19 CO 0.14 0.81 1.75 0.74 0.00 0.00 0.00 173.10 176.55 2gdt h PHE 20 N 8.50 0.00 0.00 1.90 0.04 -1.89 -3.46 116.94 122.03 2gdt h PHE 20 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 2gdt h PHE 20 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2gdt h PHE 20 CO 0.61 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.73 2gdt n GLY 21 N 0.84 2.50 0.00 -1.45 0.00 -1.26 -4.47 105.19 101.36 2gdt n GLY 21 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 -4.81 1.61 5.75 -1.26 -4.92 116.55 112.92 2gdt n ASP 22 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 2gdt n ASP 22 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2gdt s SER 23 N -1.26 5.39 0.10 -1.12 0.01 -1.26 -4.46 113.70 111.11 2gdt s SER 23 Ca 0.00 -0.33 -0.28 0.00 1.31 0.00 0.00 55.95 56.65 2gdt s SER 23 Cb 0.00 -1.28 -0.10 0.00 0.21 0.00 0.00 66.02 64.85 2gdt s SER 23 CO 0.00 -0.09 1.64 0.58 0.41 0.00 0.00 173.24 175.78 2gdt h VAL 24 N 1.48 0.44 -0.06 3.43 2.07 -1.94 -2.51 116.25 119.17 2gdt h VAL 24 Ca -0.47 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 2gdt h VAL 24 Cb 1.24 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2gdt h VAL 24 CO 0.60 0.00 -0.35 -0.33 0.02 0.00 0.00 177.57 177.51 2gdt h GLU 25 N -0.50 0.12 0.48 1.57 5.08 -1.97 -0.86 114.58 118.49 2gdt h GLU 25 Ca 0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2gdt h GLU 25 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2gdt h GLU 25 CO -0.10 0.46 -0.39 0.93 -1.00 0.00 0.00 179.01 178.91 2gdt h GLU 26 N 0.10 -0.81 -1.00 2.33 4.39 -1.90 -1.04 114.58 116.65 2gdt h GLU 26 Ca 0.01 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2gdt h GLU 26 Cb 0.68 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 2gdt h GLU 26 CO 0.05 -0.54 0.66 0.00 -1.16 0.00 0.00 179.01 178.02 2gdt h ALA 27 N -1.20 1.28 -0.87 3.43 0.00 -1.16 -1.03 119.26 119.71 2gdt h ALA 27 Ca -0.06 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2gdt h ALA 27 Cb 0.71 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2gdt h ALA 27 CO 0.00 0.63 0.56 1.25 0.00 0.00 0.00 179.25 181.70 2gdt h LEU 28 N 1.33 0.95 -0.10 0.00 6.46 -1.05 0.13 115.31 123.03 2gdt h LEU 28 Ca 0.37 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.09 2gdt h LEU 28 Cb -0.12 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.59 2gdt h LEU 28 CO -0.09 0.66 -0.04 0.28 -0.62 0.00 0.00 178.44 178.63 2gdt h SER 29 N 1.11 0.22 -0.33 1.25 0.02 -0.04 -2.61 113.55 113.15 2gdt h SER 29 Ca 0.34 -0.40 -0.16 0.00 -0.84 0.00 0.00 61.79 60.73 2gdt h SER 29 Cb -0.04 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2gdt h SER 29 CO -0.10 0.56 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.42 2gdt h GLU 30 N -0.13 0.89 -0.31 3.45 4.39 -1.11 -2.20 114.58 119.55 2gdt h GLU 30 Ca 0.02 -0.48 0.07 0.00 0.34 0.00 0.00 59.36 59.31 2gdt h GLU 30 Cb 0.48 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.07 2gdt h GLU 30 CO 0.01 1.12 -0.37 0.00 -1.16 0.00 0.00 179.01 178.62 2gdt h ALA 31 N 0.81 -0.35 -0.75 3.43 0.00 -0.77 0.25 119.26 121.88 2gdt h ALA 31 Ca 0.06 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2gdt h ALA 31 Cb 0.99 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2gdt h ALA 31 CO 0.10 -0.81 0.49 -0.09 0.00 0.00 0.00 179.25 178.93 2gdt h ARG 32 N -0.34 0.70 -0.06 0.00 2.43 -1.29 0.71 114.38 116.52 2gdt h ARG 32 Ca 0.13 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2gdt h ARG 32 Cb 0.57 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2gdt h ARG 32 CO -0.50 0.46 -0.19 1.49 -1.51 0.00 0.00 179.97 179.73 2gdt h GLU 33 N 0.72 0.24 0.00 0.20 4.81 -0.50 -2.34 114.58 117.71 2gdt h GLU 33 Ca 0.33 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2gdt h GLU 33 Cb 0.36 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2gdt h GLU 33 CO -0.12 0.79 -0.33 0.45 -0.73 0.00 0.00 179.01 179.08 2gdt h HIS 34 N -0.27 0.00 -0.22 0.92 3.86 -0.09 0.16 115.15 119.51 2gdt h HIS 34 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2gdt h HIS 34 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 2gdt h HIS 34 CO 0.12 0.33 0.10 -0.07 0.86 0.00 0.00 177.93 179.28 2gdt h LEU 35 N 0.00 0.29 -1.09 2.43 3.38 -0.90 0.24 115.31 119.66 2gdt h LEU 35 Ca -0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2gdt h LEU 35 Cb 0.64 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2gdt h LEU 35 CO 0.04 0.33 -0.00 0.50 0.09 0.00 0.00 178.44 179.40 2gdt h LYS 36 N 0.22 0.64 0.00 1.13 3.64 -0.46 -2.73 116.57 119.01 2gdt h LYS 36 Ca 0.08 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2gdt h LYS 36 Cb 0.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2gdt h LYS 36 CO -0.01 0.66 -0.19 -0.91 -2.27 0.00 0.00 179.45 176.73 2gdt h ASN 37 N 0.60 0.16 0.00 4.20 2.35 -1.12 -3.49 115.58 118.28 2gdt h ASN 37 Ca 0.12 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 2gdt h ASN 37 Cb 0.39 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2gdt h ASN 37 CO 0.01 0.94 0.00 0.61 -1.65 0.00 0.00 177.43 177.34 2gdt n GLY 38 N 1.10 0.84 1.73 2.83 0.00 0.60 -5.02 105.19 107.26 2gdt n GLY 38 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.67 2.43 -4.27 2.61 -2.24 0.18 -4.81 114.28 107.50 2gdt n THR 39 Ca 0.00 -1.13 -0.20 0.00 -2.27 0.00 0.00 64.05 60.45 2gdt n THR 39 Cb 0.00 -1.47 -0.13 0.00 -2.10 0.00 0.00 70.33 66.63 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt n GLY 41 N 1.46 3.51 3.31 0.00 0.00 0.56 -4.31 105.19 109.72 2gdt n GLY 41 Ca -0.20 -2.16 -0.25 0.00 0.00 0.00 0.00 46.02 43.41 2gdt n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gdt s LEU 42 N 0.00 2.29 0.08 0.99 2.96 0.26 -1.81 118.68 123.46 2gdt s LEU 42 Ca 0.11 -0.69 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2gdt s LEU 42 Cb 0.01 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 2gdt s LEU 42 CO 0.08 0.10 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.33 2gdt s VAL 43 N -1.11 1.51 0.54 1.68 1.01 0.02 -1.05 120.40 123.00 2gdt s VAL 43 Ca 0.08 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 60.48 2gdt s VAL 43 Cb -0.10 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 2gdt s VAL 43 CO 0.04 -0.06 1.07 -1.61 0.00 0.00 0.00 175.10 174.54 2gdt s GLU 44 N -1.71 3.51 -1.17 2.72 2.02 -1.26 -1.70 118.70 121.11 2gdt s GLU 44 Ca 0.04 1.38 -0.21 0.00 0.02 0.00 0.00 54.97 56.20 2gdt s GLU 44 Cb -0.10 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.12 2gdt s GLU 44 CO 0.03 -0.68 1.68 -0.51 0.02 0.00 0.00 175.26 175.80 2gdt s LEU 45 N -3.91 3.60 0.82 1.80 1.43 -1.26 -4.73 118.68 116.43 2gdt s LEU 45 Ca 0.67 -1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 2gdt s LEU 45 Cb -0.18 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.54 2gdt s LEU 45 CO 0.27 -1.58 1.17 -1.61 0.23 0.00 0.00 176.35 174.83 2gdt s GLU 46 N 4.88 1.92 0.53 1.70 0.41 -1.26 -4.98 118.70 121.91 2gdt s GLU 46 Ca 0.54 0.16 0.32 0.00 -0.41 0.00 0.00 54.97 55.58 2gdt s GLU 46 Cb 0.02 -1.94 1.22 0.00 -1.78 0.00 0.00 34.13 31.65 2gdt s GLU 46 CO 0.02 -1.64 1.93 -0.22 -0.49 0.00 0.00 175.26 174.87 2gdt h LYS 47 N -1.09 0.00 -1.23 1.61 3.64 -2.07 -3.36 116.57 114.08 2gdt h LYS 47 Ca -0.46 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.46 2gdt h LYS 47 Cb 1.32 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.74 2gdt h LYS 47 CO 0.65 0.01 -1.01 0.41 -2.27 0.00 0.00 179.45 177.25 2gdt n GLY 48 N 0.16 3.34 0.43 5.01 0.00 -1.26 -4.75 105.19 108.13 2gdt n GLY 48 Ca 0.01 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.22 1.01 -0.34 1.61 0.31 -1.26 -4.61 118.33 114.83 2gdt n VAL 49 Ca 0.21 -0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2gdt n VAL 49 Cb 0.75 -1.75 0.09 0.00 -0.91 0.00 0.00 33.84 32.02 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 -0.66 -1.08 0.00 7.52 4.07 -1.85 0.20 115.31 123.51 2gdt h LEU 50 Ca -0.46 0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2gdt h LEU 50 Cb 1.40 0.64 0.00 0.00 1.08 0.00 0.00 40.66 43.78 2gdt h LEU 50 CO -0.28 -0.30 0.00 -0.81 -1.08 0.00 0.00 178.44 175.96 2gdt n PRO 51 N -5.55 0.77 -0.02 1.13 -0.04 -1.26 -2.54 135.00 127.48 2gdt n PRO 51 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2gdt n PRO 51 Cb 0.44 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.82 1.40 -1.82 0.54 6.02 0.54 -5.05 117.38 118.18 2gdt n GLN 52 Ca 0.12 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 2gdt n GLN 52 Cb 0.05 -1.20 0.09 0.00 1.02 0.00 0.00 30.24 30.21 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 -4.04 2.44 0.00 1.08 2.01 -0.32 -4.98 118.68 114.87 2gdt s LEU 53 Ca -0.03 0.86 0.00 0.00 0.01 0.00 0.00 54.13 54.96 2gdt s LEU 53 Cb 0.04 -3.35 0.00 0.00 0.01 0.00 0.00 46.19 42.89 2gdt s LEU 53 CO 0.33 -1.98 0.02 -0.62 1.01 0.00 0.00 176.35 175.11 2gdt n GLU 54 N -3.38 0.00 0.19 1.70 1.02 -1.26 -4.95 120.64 113.96 2gdt n GLU 54 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2gdt n GLU 54 Cb 0.60 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gdt n GLN 55 N -0.04 0.00 -2.21 3.49 6.02 -1.26 -5.02 117.38 118.36 2gdt n GLN 55 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 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 -1.79 2.89 -0.50 -1.09 0.04 -1.26 -4.04 135.00 129.25 2gdt s PRO 56 Ca 0.00 -0.65 -0.29 0.00 0.04 0.00 0.00 61.00 60.10 2gdt s PRO 56 Cb 0.00 -5.18 0.03 0.00 0.04 0.00 0.00 34.50 29.39 2gdt s PRO 56 CO 0.00 -3.07 1.19 0.71 0.04 0.00 0.00 177.00 175.88 2gdt s TYR 57 N 8.54 2.70 -0.87 0.56 2.02 -1.17 -4.81 117.35 124.32 2gdt s TYR 57 Ca 0.63 0.63 -0.25 0.00 -0.37 0.00 0.00 57.07 57.71 2gdt s TYR 57 Cb -0.04 -4.45 0.03 0.00 -0.40 0.00 0.00 41.96 37.10 2gdt s TYR 57 CO -0.02 -1.46 1.48 0.08 -1.57 0.00 0.00 175.55 174.07 2gdt s VAL 58 N 4.75 3.74 0.68 0.71 1.01 -1.26 -2.27 120.40 127.77 2gdt s VAL 58 Ca 0.49 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 2gdt s VAL 58 Cb -0.08 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.51 2gdt s VAL 58 CO 0.30 -1.70 1.08 -0.36 0.00 0.00 0.00 175.10 174.41 2gdt s PHE 59 N 6.20 3.38 -0.14 5.22 0.08 -0.09 -0.60 117.98 132.03 2gdt s PHE 59 Ca 0.47 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2gdt s PHE 59 Cb -0.05 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.47 2gdt s PHE 59 CO 0.03 -1.07 -0.11 0.96 -0.10 0.00 0.00 175.22 174.93 2gdt s ILE 60 N -3.28 1.34 0.04 0.64 -4.36 -0.75 -1.84 121.20 112.99 2gdt s ILE 60 Ca 0.57 -0.54 0.05 0.00 -0.26 0.00 0.00 60.65 60.47 2gdt s ILE 60 Cb -0.11 -1.33 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 2gdt s ILE 60 CO 0.53 0.37 -0.13 -1.59 0.24 0.00 0.00 174.94 174.36 2gdt s LYS 61 N 1.57 0.86 -1.00 0.37 -2.85 -1.17 -0.70 119.74 116.82 2gdt s LYS 61 Ca 0.04 -0.76 -0.23 0.00 -1.00 0.00 0.00 55.97 54.02 2gdt s LYS 61 Cb -0.13 -0.85 -0.14 0.00 -2.06 0.00 0.00 37.83 34.65 2gdt s LYS 61 CO -0.09 0.21 1.93 2.89 0.10 0.00 0.00 175.35 180.38 2gdt n ARG 62 N 1.83 1.34 0.00 1.78 1.85 -0.21 -1.34 116.66 121.91 2gdt n ARG 62 Ca -0.19 -2.15 0.00 0.00 -1.00 0.00 0.00 57.85 54.52 2gdt n ARG 62 Cb 0.55 -3.46 0.00 0.00 -1.05 0.00 0.00 32.46 28.49 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 12.77 0.00 -3.02 2.89 2.88 -1.26 -1.47 113.62 126.40 2gdt n SER 63 Ca 0.46 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.66 2gdt n SER 63 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 2gdt n SER 63 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gdt n ASP 64 N -3.64 7.28 -1.35 -3.46 -0.08 -1.26 -4.73 116.55 109.32 2gdt n ASP 64 Ca 0.00 -3.24 -0.18 0.00 -1.51 0.00 0.00 54.79 49.87 2gdt n ASP 64 Cb 0.00 -1.28 -0.07 0.00 2.34 0.00 0.00 41.12 42.11 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gdt n ALA 65 N 1.13 -0.27 1.61 -1.67 0.00 -0.54 -4.89 120.51 115.87 2gdt n ALA 65 Ca 0.55 0.28 0.02 0.00 0.00 0.00 0.00 53.44 54.29 2gdt n ALA 65 Cb 0.38 -1.81 0.10 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.00 0.00 0.25 0.00 4.77 -1.25 -4.20 117.00 114.57 2gdt n LEU 66 Ca -0.18 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 55.97 2gdt n LEU 66 Cb 0.58 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.40 2gdt n LEU 66 CO 0.27 0.00 0.99 0.28 -1.33 0.00 0.00 177.39 177.60 2gdt h SER 67 N 0.00 0.00 0.00 -1.43 0.02 -1.90 -3.48 113.55 106.76 2gdt h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gdt h SER 67 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gdt h SER 67 CO 0.00 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 176.76 2gdt n THR 68 N -2.85 0.00 -0.01 -2.27 5.66 -1.26 -4.45 114.28 109.11 2gdt n THR 68 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2gdt n THR 68 Cb 0.23 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.01 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 1.40 0.00 -4.31 1.09 -1.24 -2.00 -3.50 115.58 107.03 2gdt h ASN 69 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2gdt h ASN 69 Cb 0.00 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.18 2gdt h ASN 69 CO 0.00 0.06 0.32 -1.38 -1.29 0.00 0.00 177.43 175.14 2gdt s HIS 70 N -1.09 2.58 0.00 0.67 -3.43 -1.26 -4.82 115.29 107.94 2gdt s HIS 70 Ca -0.01 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.80 2gdt s HIS 70 Cb 0.00 -3.05 0.00 0.00 -1.43 0.00 0.00 32.58 28.10 2gdt s HIS 70 CO 0.02 -1.79 0.00 0.41 -2.00 0.00 0.00 174.74 171.37 2gdt n GLY 71 N -1.20 -3.17 3.58 -1.38 0.00 -1.26 -4.97 105.19 96.78 2gdt n GLY 71 Ca 0.09 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2gdt n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gdt n HIS 72 N -0.55 -0.06 -1.53 1.61 -0.00 -1.26 -4.79 115.22 108.65 2gdt n HIS 72 Ca 0.00 0.20 -0.31 0.00 -0.00 0.00 0.00 57.72 57.61 2gdt n HIS 72 Cb 0.00 -1.87 -0.12 0.00 -0.00 0.00 0.00 29.99 28.00 2gdt n HIS 72 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2gdt n LYS 73 N -4.25 0.41 -2.00 -0.41 4.81 -1.26 -4.84 118.16 110.61 2gdt n LYS 73 Ca 0.08 -0.15 -0.36 0.00 -0.87 0.00 0.00 58.31 57.01 2gdt n LYS 73 Cb 0.53 -2.37 0.03 0.00 0.02 0.00 0.00 35.03 33.25 2gdt n LYS 73 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2gdt s VAL 74 N 9.25 2.61 0.36 3.15 1.01 -1.26 -2.83 120.40 132.69 2gdt s VAL 74 Ca 1.17 0.38 0.05 0.00 0.00 0.00 0.00 61.98 63.58 2gdt s VAL 74 Cb -0.66 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2gdt s VAL 74 CO 0.37 -0.08 0.21 0.68 0.00 0.00 0.00 175.10 176.27 2gdt s VAL 75 N -1.59 0.24 0.04 2.92 -7.23 -0.33 -4.13 120.40 110.32 2gdt s VAL 75 Ca 0.78 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 2gdt s VAL 75 Cb -0.31 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2gdt s VAL 75 CO 0.33 0.00 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.43 2gdt s GLU 76 N -3.58 0.54 0.14 4.82 2.02 -0.45 -4.36 118.70 117.83 2gdt s GLU 76 Ca 0.33 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 2gdt s GLU 76 Cb 0.03 -0.30 -0.08 0.00 0.10 0.00 0.00 34.13 33.87 2gdt s GLU 76 CO 0.22 0.05 1.41 -0.51 0.02 0.00 0.00 175.26 176.44 2gdt s LEU 77 N -1.60 4.38 0.10 1.80 1.43 -1.26 -3.06 118.68 120.47 2gdt s LEU 77 Ca -0.10 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 2gdt s LEU 77 Cb -0.10 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2gdt s LEU 77 CO 0.00 -0.66 -0.04 -0.69 0.23 0.00 0.00 176.35 175.19 2gdt s VAL 78 N 0.89 0.53 -0.17 -1.59 1.01 -0.77 -5.02 120.40 115.29 2gdt s VAL 78 Ca 0.64 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 2gdt s VAL 78 Cb -0.38 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.31 2gdt s VAL 78 CO 0.32 -0.81 0.42 0.00 0.00 0.00 0.00 175.10 175.03 2gdt s ALA 79 N -3.74 -1.07 -0.17 5.51 0.00 -1.26 -0.92 121.76 120.12 2gdt s ALA 79 Ca 0.14 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.47 2gdt s ALA 79 Cb 0.06 -0.85 0.08 0.00 0.00 0.00 0.00 23.12 22.42 2gdt s ALA 79 CO -0.04 -0.24 0.24 -1.21 0.00 0.00 0.00 175.76 174.50 2gdt s GLU 80 N 0.93 0.17 0.57 0.00 8.01 -0.96 -4.94 118.70 122.48 2gdt s GLU 80 Ca -0.06 0.43 0.30 0.00 0.01 0.00 0.00 54.97 55.65 2gdt s GLU 80 Cb -0.06 -0.71 1.74 0.00 -4.31 0.00 0.00 34.13 30.79 2gdt s GLU 80 CO -0.08 -0.51 2.21 0.00 0.01 0.00 0.00 175.26 176.90 2gdt h MET 81 N 8.30 0.00 0.00 1.61 -0.00 -1.88 -1.83 114.93 121.13 2gdt h MET 81 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.52 2gdt h MET 81 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.70 2gdt h MET 81 CO 0.22 0.04 -0.32 -3.47 -0.00 0.00 0.00 176.91 173.38 2gdt n ASP 82 N -3.76 1.44 -2.18 -0.10 -0.08 -1.26 -4.24 116.55 106.37 2gdt n ASP 82 Ca -0.03 -2.79 -0.11 0.00 -1.51 0.00 0.00 54.79 50.35 2gdt n ASP 82 Cb 0.13 -0.37 -0.02 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.79 -0.12 0.00 0.27 0.00 -0.70 -4.87 105.19 98.99 2gdt n GLY 83 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2gdt n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdt n ILE 84 N -2.95 0.00 -4.16 -0.61 5.41 -1.26 -3.20 119.36 112.60 2gdt n ILE 84 Ca -0.13 0.41 -0.24 0.00 1.00 0.00 0.00 62.75 63.79 2gdt n ILE 84 Cb 0.55 -0.55 -0.07 0.00 -0.71 0.00 0.00 39.64 38.85 2gdt n ILE 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2gdt s GLN 85 N -2.89 2.23 0.00 0.38 2.00 -1.26 -4.77 119.66 115.35 2gdt s GLN 85 Ca 0.00 -1.78 0.00 0.00 -2.00 0.00 0.00 55.36 51.58 2gdt s GLN 85 Cb 0.00 -2.01 0.00 0.00 0.80 0.00 0.00 33.01 31.80 2gdt s GLN 85 CO 0.00 -0.04 0.00 0.66 -0.50 0.00 0.00 175.29 175.41 2gdt n TYR 86 N -1.18 0.00 -1.40 1.67 4.01 -1.26 -4.94 117.16 114.06 2gdt n TYR 86 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2gdt n TYR 86 Cb 0.64 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.68 2gdt n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gdt n GLY 87 N 0.00 -1.91 7.00 2.72 0.00 -1.19 -4.14 105.19 107.67 2gdt n GLY 87 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2gdt n GLY 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gdt n ARG 88 N 0.72 0.00 -0.32 1.61 0.63 -1.26 -5.00 116.66 113.04 2gdt n ARG 88 Ca 0.11 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.08 2gdt n ARG 88 Cb 0.42 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.32 2gdt n ARG 88 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2gdt n SER 89 N 3.34 -4.84 -0.00 6.15 7.64 -1.26 -4.14 113.62 120.50 2gdt n SER 89 Ca 0.00 0.35 0.08 0.00 1.01 0.00 0.00 58.87 60.30 2gdt n SER 89 Cb 0.00 -0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 62.12 2gdt n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gdt n GLY 90 N -1.03 -0.62 0.27 0.23 0.00 -1.26 -4.60 105.19 98.17 2gdt n GLY 90 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 1.08 -2.98 -0.61 2.10 -1.89 -3.44 117.51 111.78 2gdt h ILE 91 Ca 0.00 -0.28 -0.61 0.00 1.08 0.00 0.00 64.86 65.05 2gdt h ILE 91 Cb 0.57 0.92 -0.05 0.00 -1.09 0.00 0.00 36.82 37.17 2gdt h ILE 91 CO 0.00 0.10 -0.38 -0.89 -1.08 0.00 0.00 178.15 175.90 2gdt s THR 92 N -5.09 5.27 -0.17 2.19 2.01 -1.26 -1.04 115.64 117.55 2gdt s THR 92 Ca -0.06 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2gdt s THR 92 Cb 0.17 -3.59 -0.13 0.00 0.01 0.00 0.00 72.50 68.95 2gdt s THR 92 CO 0.70 0.25 -0.10 0.18 -0.69 0.00 0.00 174.62 174.97 2gdt n LEU 93 N 0.74 2.14 0.00 4.42 4.77 0.12 -4.98 117.00 124.22 2gdt n LEU 93 Ca -0.08 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2gdt n LEU 93 Cb 0.52 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2gdt n LEU 93 CO 0.45 0.67 0.03 0.61 -1.33 0.00 0.00 177.39 177.82 2gdt n GLY 94 N 2.51 0.44 3.38 -0.72 0.00 -1.25 -4.08 105.19 105.47 2gdt n GLY 94 Ca -0.29 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.04 2.90 0.36 1.61 1.01 -0.69 -1.81 120.40 121.75 2gdt s VAL 95 Ca 0.01 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 2gdt s VAL 95 Cb -0.00 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 2gdt s VAL 95 CO -0.00 0.55 0.96 -0.76 0.00 0.00 0.00 175.10 175.85 2gdt s LEU 96 N 0.01 4.21 0.13 3.92 1.02 0.23 -0.80 118.68 127.41 2gdt s LEU 96 Ca -0.05 1.82 -0.03 0.00 0.02 0.00 0.00 54.13 55.89 2gdt s LEU 96 Cb -0.14 -4.17 -0.03 0.00 0.02 0.00 0.00 46.19 41.86 2gdt s LEU 96 CO 0.04 -0.19 0.09 0.68 0.02 0.00 0.00 176.35 176.99 2gdt s VAL 97 N -1.77 0.11 0.80 -1.59 -7.23 -0.75 -4.38 120.40 105.59 2gdt s VAL 97 Ca 0.54 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 2gdt s VAL 97 Cb -0.16 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2gdt s VAL 97 CO 0.21 -0.49 0.98 -2.65 -0.31 0.00 0.00 175.10 172.84 2gdt n PRO 98 N -0.09 0.19 -4.19 4.82 -0.02 -1.26 -0.32 135.00 134.11 2gdt n PRO 98 Ca -0.07 0.13 -0.34 0.00 -2.02 0.00 0.00 63.50 61.20 2gdt n PRO 98 Cb 0.63 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 2gdt n PRO 98 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2gdt s HIS 99 N -2.08 3.04 -0.44 6.00 2.46 -0.31 -3.72 115.29 120.23 2gdt s HIS 99 Ca 0.70 -0.39 0.09 0.00 0.47 0.00 0.00 55.06 55.94 2gdt s HIS 99 Cb -0.30 -2.04 0.33 0.00 -0.13 0.00 0.00 32.58 30.44 2gdt s HIS 99 CO 0.54 -0.15 0.76 1.55 -2.47 0.00 0.00 174.74 174.96 2gdt n VAL 100 N 3.96 0.77 -1.60 0.89 3.14 -1.26 -4.44 118.33 119.78 2gdt n VAL 100 Ca -0.17 -4.81 -0.09 0.00 -2.96 0.00 0.00 64.34 56.31 2gdt n VAL 100 Cb 0.52 -0.90 -0.02 0.00 -1.06 0.00 0.00 33.84 32.37 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2gdt n GLY 101 N 0.33 0.66 0.12 7.55 0.00 -1.26 -4.90 105.19 107.69 2gdt n GLY 101 Ca 0.26 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.83 2gdt n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gdt n GLU 102 N -2.40 1.17 -2.41 1.61 1.02 -1.26 -4.97 120.64 113.40 2gdt n GLU 102 Ca -0.09 -0.25 -0.03 0.00 -0.02 0.00 0.00 57.16 56.78 2gdt n GLU 102 Cb 0.40 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2gdt n THR 103 N -0.66-12.88 -1.75 2.62 -1.04 -1.26 -4.90 114.28 94.41 2gdt n THR 103 Ca 0.21 2.91 -0.30 0.00 -2.04 0.00 0.00 64.05 64.83 2gdt n THR 103 Cb 0.16 -6.21 0.06 0.00 -1.82 0.00 0.00 70.33 62.52 2gdt n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gdt s PRO 104 N -0.68 2.59 -0.11 -2.82 0.04 -1.26 -4.71 135.00 128.05 2gdt s PRO 104 Ca -0.13 0.55 0.14 0.00 0.04 0.00 0.00 61.00 61.60 2gdt s PRO 104 Cb 0.01 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.33 2gdt s PRO 104 CO 0.34 -1.24 0.41 0.44 0.04 0.00 0.00 177.00 176.99 2gdt n ILE 105 N -3.16 1.53 -3.93 0.56 -0.00 -0.64 -4.99 119.36 108.73 2gdt n ILE 105 Ca 0.07 -0.81 -0.12 0.00 -0.00 0.00 0.00 62.75 61.89 2gdt n ILE 105 Cb 0.57 -0.85 -0.00 0.00 -0.00 0.00 0.00 39.64 39.35 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 -2.66 -1.03 -2.27 -1.28 0.00 -1.21 -5.04 120.51 107.02 2gdt n ALA 106 Ca -0.24 -1.45 -0.15 0.00 0.00 0.00 0.00 53.44 51.60 2gdt n ALA 106 Cb 1.09 1.16 -0.10 0.00 0.00 0.00 0.00 19.45 21.61 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 -2.58 1.35 0.18 0.00 1.51 -1.26 -0.28 117.35 116.27 2gdt s TYR 107 Ca 0.23 -0.72 0.10 0.00 -1.01 0.00 0.00 57.07 55.66 2gdt s TYR 107 Cb -0.03 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2gdt s TYR 107 CO 0.17 0.13 -0.16 0.50 -1.11 0.00 0.00 175.55 175.08 2gdt s ARG 108 N -3.71 1.83 0.01 -0.62 6.06 0.41 -4.79 118.95 118.13 2gdt s ARG 108 Ca 0.18 -1.36 0.05 0.00 -2.50 0.00 0.00 55.73 52.10 2gdt s ARG 108 Cb 0.02 -2.04 -0.02 0.00 0.06 0.00 0.00 34.95 32.97 2gdt s ARG 108 CO 0.02 0.43 -0.16 0.54 -2.50 0.00 0.00 175.30 173.63 2gdt s ASN 109 N -2.70 1.85 0.29 -2.12 4.22 -1.26 -0.79 114.94 114.42 2gdt s ASN 109 Ca 0.23 -0.37 -0.01 0.00 -2.14 0.00 0.00 52.86 50.56 2gdt s ASN 109 Cb -0.09 -0.17 -0.02 0.00 1.28 0.00 0.00 41.25 42.26 2gdt s ASN 109 CO 0.13 0.13 0.34 0.68 -2.04 0.00 0.00 177.10 176.33 2gdt s VAL 110 N -0.59 0.00 0.26 3.54 -7.23 0.05 -4.99 120.40 111.45 2gdt s VAL 110 Ca 0.05 -1.77 0.11 0.00 -1.81 0.00 0.00 61.98 58.55 2gdt s VAL 110 Cb -0.07 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 2gdt s VAL 110 CO 0.00 0.00 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.92 2gdt s LEU 111 N -3.22 2.87 0.05 1.32 2.01 -1.13 -0.93 118.68 119.66 2gdt s LEU 111 Ca 0.34 -0.82 0.06 0.00 0.01 0.00 0.00 54.13 53.72 2gdt s LEU 111 Cb 0.02 -1.41 -0.02 0.00 0.01 0.00 0.00 46.19 44.79 2gdt s LEU 111 CO 0.18 0.03 -0.16 -0.22 1.01 0.00 0.00 176.35 177.20 2gdt s LEU 112 N -3.48 2.20 0.76 1.79 0.20 0.83 -1.18 118.68 119.79 2gdt s LEU 112 Ca 0.30 -0.51 -0.15 0.00 0.69 0.00 0.00 54.13 54.45 2gdt s LEU 112 Cb -0.06 -0.68 0.03 0.00 -0.43 0.00 0.00 46.19 45.05 2gdt s LEU 112 CO 0.17 0.04 1.01 -2.11 -0.29 0.00 0.00 176.35 175.17 2gdt n ARG 113 N 1.72 0.38 -3.66 1.98 0.00 -1.26 -0.91 116.66 114.91 2gdt n ARG 113 Ca -0.18 0.19 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 2gdt n ARG 113 Cb 0.54 -2.27 -0.08 0.00 -0.00 0.00 0.00 32.46 30.65 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2gdt s LYS 114 N -3.58 0.62 0.00 2.89 1.02 -1.26 -4.58 119.74 114.84 2gdt s LYS 114 Ca 0.73 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.80 2gdt s LYS 114 Cb -0.32 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.09 2gdt s LYS 114 CO 0.51 -0.15 0.56 -1.71 -0.92 0.00 0.00 175.35 173.64 2gdt n ASN 115 N 4.22 0.00 0.00 2.83 2.85 -1.26 -4.39 115.26 119.51 2gdt n ASN 115 Ca -0.21 0.59 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 2gdt n ASN 115 Cb 0.58 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.41 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76