#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 -3.73 -4.87 1.61 -0.00 0.11 -4.94 115.22 103.40 2gdt n HIS 2 Ca 0.00 1.94 -0.26 0.00 -0.00 0.00 0.00 57.72 59.39 2gdt n HIS 2 Cb 0.00 -3.39 -0.15 0.00 -0.00 0.00 0.00 29.99 26.45 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 -3.06 1.62 0.08 1.59 1.01 0.40 -4.74 120.40 117.30 2gdt s VAL 3 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 2gdt s VAL 3 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 2gdt s VAL 3 CO 0.00 0.37 0.61 -1.58 0.00 0.00 0.00 175.10 174.50 2gdt s GLN 4 N -0.71 4.28 -0.00 2.72 0.74 -1.26 0.04 119.66 125.45 2gdt s GLN 4 Ca 0.08 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.31 2gdt s GLN 4 Cb -0.08 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 30.77 2gdt s GLN 4 CO 0.00 0.60 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.78 2gdt s LEU 5 N -1.02 2.00 0.28 3.68 1.43 -0.39 -4.93 118.68 119.73 2gdt s LEU 5 Ca 0.30 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2gdt s LEU 5 Cb -0.20 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 2gdt s LEU 5 CO 0.20 0.06 0.17 -0.44 0.23 0.00 0.00 176.35 176.56 2gdt s SER 6 N -0.10 5.21 -0.07 2.29 0.01 -1.26 -0.49 113.70 119.30 2gdt s SER 6 Ca 0.02 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.83 2gdt s SER 6 Cb -0.02 -1.16 0.04 0.00 0.21 0.00 0.00 66.02 65.09 2gdt s SER 6 CO -0.00 -0.11 0.15 -0.76 0.41 0.00 0.00 173.24 172.94 2gdt s LEU 7 N -3.83 0.77 0.15 2.44 1.43 -0.58 -4.94 118.68 114.12 2gdt s LEU 7 Ca 0.34 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.45 2gdt s LEU 7 Cb -0.07 0.41 -0.10 0.00 0.03 0.00 0.00 46.19 46.46 2gdt s LEU 7 CO 0.24 -0.14 1.55 -2.16 0.23 0.00 0.00 176.35 176.07 2gdt s PRO 8 N 1.06 4.23 -0.27 1.29 0.04 -1.26 -0.33 135.00 139.77 2gdt s PRO 8 Ca -0.08 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 2gdt s PRO 8 Cb -0.10 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2gdt s PRO 8 CO -0.06 -0.59 1.07 0.08 0.04 0.00 0.00 177.00 177.54 2gdt s VAL 9 N 1.27 4.58 -0.03 -0.36 1.01 0.26 -0.69 120.40 126.43 2gdt s VAL 9 Ca 0.69 1.87 0.07 0.00 0.00 0.00 0.00 61.98 64.62 2gdt s VAL 9 Cb -0.42 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 2gdt s VAL 9 CO 0.31 -0.33 -0.24 -0.76 0.00 0.00 0.00 175.10 174.08 2gdt s LEU 10 N 3.44 2.15 0.23 3.92 1.43 -1.16 -1.49 118.68 127.20 2gdt s LEU 10 Ca 0.45 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 2gdt s LEU 10 Cb -0.14 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 2gdt s LEU 10 CO 0.11 0.31 1.46 -1.10 0.23 0.00 0.00 176.35 177.36 2gdt s GLN 11 N -0.53 4.26 0.59 1.70 -0.21 -1.26 -4.29 119.66 119.91 2gdt s GLN 11 Ca 0.07 2.31 0.35 0.00 0.02 0.00 0.00 55.36 58.11 2gdt s GLN 11 Cb -0.11 -3.12 1.82 0.00 1.00 0.00 0.00 33.01 32.60 2gdt s GLN 11 CO 0.00 -0.45 2.18 -0.24 -2.12 0.00 0.00 175.29 174.66 2gdt h VAL 12 N 3.64 0.25 -0.11 1.09 3.04 -1.95 -0.59 116.25 121.62 2gdt h VAL 12 Ca -0.45 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 2gdt h VAL 12 Cb 1.22 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2gdt h VAL 12 CO 0.80 0.04 0.01 0.08 -1.01 0.00 0.00 177.57 177.49 2gdt h ARG 13 N 0.00 0.19 -0.45 4.17 0.11 -2.01 -3.31 114.38 113.08 2gdt h ARG 13 Ca -0.00 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 2gdt h ARG 13 Cb 0.22 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 2gdt h ARG 13 CO 0.01 0.40 -0.02 -0.44 0.10 0.00 0.00 179.97 180.02 2gdt h ASP 14 N -0.05 0.79 0.00 0.08 5.19 -1.52 -3.29 116.42 117.62 2gdt h ASP 14 Ca 0.03 -0.32 -0.30 0.00 -0.62 0.00 0.00 57.03 55.83 2gdt h ASP 14 Cb 0.31 -0.21 0.06 0.00 0.18 0.00 0.00 39.33 39.66 2gdt h ASP 14 CO 0.00 0.92 1.39 0.52 -3.12 0.00 0.00 179.24 178.95 2gdt n VAL 15 N -4.36 0.37 -0.32 -1.35 0.31 -0.74 -4.77 118.33 107.48 2gdt n VAL 15 Ca -0.00 -0.26 0.18 0.00 -0.01 0.00 0.00 64.34 64.24 2gdt n VAL 15 Cb 0.32 -1.80 0.36 0.00 -0.91 0.00 0.00 33.84 31.80 2gdt n VAL 15 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gdt h LEU 16 N 13.01 -0.01 -8.08 7.52 3.38 -1.78 -3.36 115.31 125.99 2gdt h LEU 16 Ca 0.17 0.23 -0.76 0.00 0.09 0.00 0.00 57.88 57.61 2gdt h LEU 16 Cb 0.32 0.31 -0.24 0.00 0.09 0.00 0.00 40.66 41.14 2gdt h LEU 16 CO 1.50 -0.25 -0.18 0.54 0.09 0.00 0.00 178.44 180.14 2gdt s VAL 17 N -5.86 5.22 -1.90 1.22 0.11 -1.26 -4.89 120.40 113.04 2gdt s VAL 17 Ca -0.12 -1.54 0.20 0.00 -2.93 0.00 0.00 61.98 57.59 2gdt s VAL 17 Cb 0.28 -4.36 0.45 0.00 -1.53 0.00 0.00 36.38 31.22 2gdt s VAL 17 CO 0.78 -0.90 1.37 0.54 -3.33 0.00 0.00 175.10 173.56 2gdt n ARG 18 N 5.22 2.51 -4.74 1.54 1.74 -1.26 -4.25 116.66 117.42 2gdt n ARG 18 Ca -0.12 -2.28 -0.24 0.00 -0.77 0.00 0.00 57.85 54.44 2gdt n ARG 18 Cb 0.41 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gdt s GLY 19 N -1.18 0.79 0.18 -0.13 0.00 -1.26 -4.22 107.32 101.50 2gdt s GLY 19 Ca 0.37 -0.70 0.25 0.00 0.00 0.00 0.00 44.72 44.65 2gdt s GLY 19 CO 0.28 -0.58 1.61 0.69 0.00 0.00 0.00 173.10 175.09 2gdt n PHE 20 N 2.65 0.82 -3.84 1.90 3.72 -1.26 -4.79 117.46 116.66 2gdt n PHE 20 Ca -0.15 0.24 -0.04 0.00 -0.05 0.00 0.00 57.45 57.45 2gdt n PHE 20 Cb 0.54 -0.85 0.01 0.00 -0.94 0.00 0.00 39.48 38.25 2gdt n PHE 20 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2gdt s GLY 21 N -3.62 0.06 0.25 1.37 0.00 -1.26 -4.68 107.32 99.45 2gdt s GLY 21 Ca 0.09 -0.27 0.17 0.00 0.00 0.00 0.00 44.72 44.71 2gdt s GLY 21 CO 0.64 1.50 1.30 -1.80 0.00 0.00 0.00 173.10 174.75 2gdt h ASP 22 N 2.00 0.00 -2.38 1.64 3.58 -1.96 -3.42 116.42 115.89 2gdt h ASP 22 Ca -0.27 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.56 2gdt h ASP 22 Cb 1.22 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.13 2gdt h ASP 22 CO 0.34 0.38 -0.76 -0.44 -2.88 0.00 0.00 179.24 175.88 2gdt s SER 23 N -6.17 3.66 0.10 2.28 0.01 -1.26 -4.41 113.70 107.91 2gdt s SER 23 Ca 0.03 -0.96 -0.23 0.00 1.31 0.00 0.00 55.95 56.10 2gdt s SER 23 Cb 0.08 -0.35 -0.13 0.00 0.21 0.00 0.00 66.02 65.83 2gdt s SER 23 CO 0.75 0.05 1.73 0.58 0.41 0.00 0.00 173.24 176.76 2gdt h VAL 24 N 2.39 0.94 -0.32 3.43 2.07 -1.91 -0.92 116.25 121.93 2gdt h VAL 24 Ca -0.41 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 2gdt h VAL 24 Cb 1.25 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2gdt h VAL 24 CO 0.58 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.66 2gdt h GLU 25 N -0.03 0.69 0.11 1.57 5.08 -1.97 -1.88 114.58 118.15 2gdt h GLU 25 Ca 0.02 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2gdt h GLU 25 Cb 0.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2gdt h GLU 25 CO -0.04 0.91 -0.52 0.93 -1.00 0.00 0.00 179.01 179.30 2gdt h GLU 26 N 0.45 -0.71 -0.61 2.33 3.07 -1.96 -2.30 114.58 114.86 2gdt h GLU 26 Ca 0.07 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 2gdt h GLU 26 Cb 0.72 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 2gdt h GLU 26 CO 0.05 -0.47 0.34 0.00 -1.40 0.00 0.00 179.01 177.53 2gdt h ALA 27 N -0.46 0.78 -0.63 3.43 0.00 -0.98 -0.22 119.26 121.18 2gdt h ALA 27 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2gdt h ALA 27 Cb 0.75 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2gdt h ALA 27 CO -0.29 0.30 0.37 1.25 0.00 0.00 0.00 179.25 180.88 2gdt h LEU 28 N 0.83 0.77 0.30 0.00 6.46 -1.30 -0.03 115.31 122.34 2gdt h LEU 28 Ca 0.22 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2gdt h LEU 28 Cb 0.04 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2gdt h LEU 28 CO -0.04 0.61 -0.15 0.28 -0.62 0.00 0.00 178.44 178.53 2gdt h SER 29 N 0.86 -0.34 -0.86 1.25 0.02 -0.66 -2.23 113.55 111.59 2gdt h SER 29 Ca 0.23 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2gdt h SER 29 Cb -0.01 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2gdt h SER 29 CO -0.04 -0.15 0.52 -0.33 -1.14 0.00 0.00 176.83 175.69 2gdt h GLU 30 N -0.52 1.17 0.51 3.45 4.39 -1.05 -1.88 114.58 120.64 2gdt h GLU 30 Ca -0.04 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 2gdt h GLU 30 Cb 0.39 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2gdt h GLU 30 CO 0.07 0.82 -0.36 0.00 -1.16 0.00 0.00 179.01 178.38 2gdt h ALA 31 N 1.38 -0.86 -1.02 3.43 0.00 -0.89 0.19 119.26 121.50 2gdt h ALA 31 Ca 0.31 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.31 2gdt h ALA 31 Cb -0.05 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2gdt h ALA 31 CO -0.06 -1.01 0.66 0.00 0.00 0.00 0.00 179.25 178.84 2gdt h ARG 32 N -0.84 0.38 -0.24 0.00 3.08 -0.95 0.23 114.38 116.05 2gdt h ARG 32 Ca -0.06 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2gdt h ARG 32 Cb 0.71 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 2gdt h ARG 32 CO 0.03 0.25 -0.19 0.93 -1.07 0.00 0.00 179.97 179.92 2gdt h GLU 33 N 0.40 0.54 -0.07 0.04 5.08 -0.54 -2.14 114.58 117.89 2gdt h GLU 33 Ca 0.57 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2gdt h GLU 33 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2gdt h GLU 33 CO -0.26 0.85 -0.64 0.45 -1.00 0.00 0.00 179.01 178.41 2gdt h HIS 34 N 0.25 0.33 -0.20 4.33 3.86 0.16 -2.49 115.15 121.38 2gdt h HIS 34 Ca 0.04 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 2gdt h HIS 34 Cb 0.72 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 2gdt h HIS 34 CO 0.07 0.82 -0.12 -0.07 0.86 0.00 0.00 177.93 179.49 2gdt h LEU 35 N 0.18 0.30 -0.49 2.43 4.07 -0.67 0.30 115.31 121.43 2gdt h LEU 35 Ca -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2gdt h LEU 35 Cb 1.16 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 2gdt h LEU 35 CO 0.10 0.46 0.29 0.11 -1.08 0.00 0.00 178.44 178.31 2gdt h LYS 36 N 0.30 0.67 0.00 1.13 6.56 -0.93 -3.01 116.57 121.28 2gdt h LYS 36 Ca 0.06 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2gdt h LYS 36 Cb 0.40 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2gdt h LYS 36 CO 0.02 0.50 -0.04 -0.91 -2.06 0.00 0.00 179.45 176.96 2gdt h ASN 37 N 0.65 0.00 0.00 0.86 2.35 -1.18 -3.47 115.58 114.79 2gdt h ASN 37 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2gdt h ASN 37 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2gdt h ASN 37 CO -0.03 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.36 2gdt n GLY 38 N 1.23 0.63 1.68 2.83 0.00 0.82 -4.94 105.19 107.44 2gdt n GLY 38 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.69 2.35 -4.37 2.61 -2.24 0.11 -4.78 114.28 105.28 2gdt n THR 39 Ca 0.00 -1.03 -0.20 0.00 -2.27 0.00 0.00 64.05 60.54 2gdt n THR 39 Cb 0.01 -1.41 -0.16 0.00 -2.10 0.00 0.00 70.33 66.67 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 0.31 2.77 -0.19 0.00 0.00 0.42 -4.28 107.32 106.36 2gdt s GLY 41 Ca -0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 2gdt s GLY 41 CO 0.01 -1.99 -0.01 -2.27 0.00 0.00 0.00 173.10 168.84 2gdt s LEU 42 N -3.72 1.56 0.12 0.66 2.96 0.13 -1.43 118.68 118.97 2gdt s LEU 42 Ca 0.17 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 2gdt s LEU 42 Cb 0.02 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.85 2gdt s LEU 42 CO 0.10 -0.25 0.96 -0.69 -1.32 0.00 0.00 176.35 175.15 2gdt s VAL 43 N 1.70 4.47 0.56 1.68 1.01 0.19 -2.96 120.40 127.05 2gdt s VAL 43 Ca -0.01 2.07 -0.19 0.00 0.00 0.00 0.00 61.98 63.85 2gdt s VAL 43 Cb -0.17 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 2gdt s VAL 43 CO -0.07 0.33 1.17 -1.61 0.00 0.00 0.00 175.10 174.91 2gdt s GLU 44 N -0.06 3.19 -0.41 2.72 2.02 -1.26 -0.86 118.70 124.03 2gdt s GLU 44 Ca 0.47 1.71 -0.28 0.00 0.02 0.00 0.00 54.97 56.89 2gdt s GLU 44 Cb -0.24 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.04 2gdt s GLU 44 CO 0.30 -1.00 1.04 -0.51 0.02 0.00 0.00 175.26 175.11 2gdt s LEU 45 N -3.90 3.85 0.00 1.80 1.43 -1.25 -4.69 118.68 115.91 2gdt s LEU 45 Ca 0.75 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2gdt s LEU 45 Cb -0.27 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2gdt s LEU 45 CO 0.30 -1.04 0.00 -0.62 0.23 0.00 0.00 176.35 175.22 2gdt n GLU 46 N 7.25 2.31 0.09 1.70 1.02 -1.26 -5.01 120.64 126.74 2gdt n GLU 46 Ca 0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.02 2gdt n GLU 46 Cb 0.48 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.75 2gdt n GLU 46 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2gdt h LYS 47 N 0.00 0.44 -0.01 3.49 3.64 -2.00 -3.33 116.57 118.80 2gdt h LYS 47 Ca 0.00 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 2gdt h LYS 47 Cb 0.00 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2gdt h LYS 47 CO 0.00 1.34 0.00 0.41 -2.27 0.00 0.00 179.45 178.93 2gdt n GLY 48 N 1.65 -0.94 0.06 5.01 0.00 -1.26 -4.51 105.19 105.19 2gdt n GLY 48 Ca -0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 2gdt n GLY 48 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gdt h VAL 49 N 0.10 0.70 -0.53 1.61 2.07 -1.93 -3.38 116.25 114.89 2gdt h VAL 49 Ca 0.00 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.06 2gdt h VAL 49 Cb 0.02 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2gdt h VAL 49 CO 0.00 0.24 0.14 -0.07 0.02 0.00 0.00 177.57 177.90 2gdt h LEU 50 N -1.00 0.07 -3.58 2.57 3.38 -1.83 -2.20 115.31 112.71 2gdt h LEU 50 Ca -0.02 0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2gdt h LEU 50 Cb 0.46 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2gdt h LEU 50 CO -0.01 0.06 0.03 -0.81 0.09 0.00 0.00 178.44 177.79 2gdt n PRO 51 N -5.08 1.63 0.00 1.13 -0.04 -1.26 -1.80 135.00 129.59 2gdt n PRO 51 Ca 0.07 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2gdt n PRO 51 Cb 0.26 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 1.47 1.94 -1.76 0.54 6.02 -0.84 -5.10 117.38 119.65 2gdt n GLN 52 Ca 0.25 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.94 2gdt n GLN 52 Cb 0.64 -0.48 0.08 0.00 1.02 0.00 0.00 30.24 31.50 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 -0.66 2.66 0.00 1.08 1.02 -0.74 -4.94 118.68 117.09 2gdt s LEU 53 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 54.13 55.25 2gdt s LEU 53 Cb 0.00 -3.75 0.00 0.00 0.02 0.00 0.00 46.19 42.46 2gdt s LEU 53 CO 0.00 -1.74 0.24 -0.62 0.02 0.00 0.00 176.35 174.25 2gdt n GLU 54 N -3.26 0.00 0.09 1.70 1.02 -1.26 -5.00 120.64 113.93 2gdt n GLU 54 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2gdt n GLU 54 Cb 0.58 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 2gdt n GLU 54 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2gdt n GLN 55 N -0.50 0.00 -2.40 3.49 -0.06 -1.26 -5.03 117.38 111.62 2gdt n GLN 55 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 2gdt n GLN 55 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2gdt s PRO 56 N -2.00 3.27 -0.42 3.69 0.04 -1.26 -4.24 135.00 134.08 2gdt s PRO 56 Ca 0.00 -0.89 -0.29 0.00 0.04 0.00 0.00 61.00 59.86 2gdt s PRO 56 Cb 0.00 -5.27 0.02 0.00 0.04 0.00 0.00 34.50 29.29 2gdt s PRO 56 CO 0.00 -2.59 1.23 0.71 0.04 0.00 0.00 177.00 176.39 2gdt s TYR 57 N 6.58 2.72 -1.06 0.56 2.02 -0.15 -4.76 117.35 123.27 2gdt s TYR 57 Ca 0.54 0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 57.82 2gdt s TYR 57 Cb -0.02 -4.24 0.09 0.00 -0.40 0.00 0.00 41.96 37.38 2gdt s TYR 57 CO -0.06 -1.47 1.41 0.08 -1.57 0.00 0.00 175.55 173.93 2gdt s VAL 58 N 4.63 4.28 0.76 0.71 1.01 -1.26 -2.94 120.40 127.59 2gdt s VAL 58 Ca 0.53 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2gdt s VAL 58 Cb -0.11 -4.99 0.04 0.00 0.00 0.00 0.00 36.38 31.33 2gdt s VAL 58 CO 0.29 -1.80 1.12 -0.36 0.00 0.00 0.00 175.10 174.35 2gdt s PHE 59 N 3.90 3.12 -0.08 5.22 0.08 -1.05 -0.38 117.98 128.80 2gdt s PHE 59 Ca 0.43 0.97 0.03 0.00 0.12 0.00 0.00 56.93 58.48 2gdt s PHE 59 Cb -0.01 -3.21 0.01 0.00 -0.57 0.00 0.00 43.02 39.24 2gdt s PHE 59 CO -0.06 -1.47 -0.15 0.96 -0.10 0.00 0.00 175.22 174.39 2gdt s ILE 60 N -3.39 1.40 0.00 0.64 -4.36 -0.87 -2.14 121.20 112.48 2gdt s ILE 60 Ca 0.60 -0.63 0.03 0.00 -0.26 0.00 0.00 60.65 60.39 2gdt s ILE 60 Cb -0.12 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.33 2gdt s ILE 60 CO 0.51 0.41 -0.09 -1.59 0.24 0.00 0.00 174.94 174.43 2gdt s LYS 61 N 0.64 0.69 -1.12 0.37 -2.85 -1.20 -1.03 119.74 115.23 2gdt s LYS 61 Ca -0.14 -0.40 -0.22 0.00 -1.00 0.00 0.00 55.97 54.21 2gdt s LYS 61 Cb -0.16 -0.65 -0.08 0.00 -2.06 0.00 0.00 37.83 34.89 2gdt s LYS 61 CO 0.04 0.17 1.91 2.89 0.10 0.00 0.00 175.35 180.47 2gdt n ARG 62 N 2.61 1.86 -2.64 1.78 1.85 -0.82 -1.57 116.66 119.73 2gdt n ARG 62 Ca -0.15 -2.46 -0.03 0.00 -1.00 0.00 0.00 57.85 54.21 2gdt n ARG 62 Cb 0.57 -3.51 0.00 0.00 -1.05 0.00 0.00 32.46 28.47 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 11.73 -5.04 -3.64 2.89 2.88 -1.26 -4.76 113.62 116.42 2gdt n SER 63 Ca 0.47 0.27 -0.41 0.00 -1.33 0.00 0.00 58.87 57.86 2gdt n SER 63 Cb 0.45 -1.23 -0.02 0.00 -0.75 0.00 0.00 64.21 62.65 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 1.20 3.70 -0.45 -3.46 2.03 -1.26 -3.91 116.55 114.40 2gdt n ASP 64 Ca -0.01 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.57 2gdt n ASP 64 Cb 0.41 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gdt n ALA 65 N 6.38 1.90 -2.40 -1.67 0.00 -1.26 -5.16 120.51 118.30 2gdt n ALA 65 Ca 0.52 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 2gdt n ALA 65 Cb 0.37 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 2gdt n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gdt s LEU 66 N 0.00 2.56 -0.00 0.00 1.43 -1.25 -5.06 118.68 116.35 2gdt s LEU 66 Ca 0.00 -1.06 0.06 0.00 -1.03 0.00 0.00 54.13 52.10 2gdt s LEU 66 Cb 0.00 -0.79 -0.08 0.00 0.03 0.00 0.00 46.19 45.35 2gdt s LEU 66 CO 0.00 -0.15 0.20 -1.54 0.23 0.00 0.00 176.35 175.09 2gdt n SER 67 N -0.49 1.93 -3.61 2.29 3.41 -1.26 -4.98 113.62 110.90 2gdt n SER 67 Ca -0.07 -0.32 -0.16 0.00 -0.26 0.00 0.00 58.87 58.07 2gdt n SER 67 Cb 0.61 1.14 -0.07 0.00 -0.26 0.00 0.00 64.21 65.63 2gdt n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gdt s THR 68 N -2.01 0.01 -0.95 6.66 2.01 -1.26 -5.07 115.64 115.03 2gdt s THR 68 Ca -0.00 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 2gdt s THR 68 Cb 0.04 -0.88 0.31 0.00 0.01 0.00 0.00 72.50 71.99 2gdt s THR 68 CO 0.26 -0.04 1.97 -3.20 -0.69 0.00 0.00 174.62 172.91 2gdt n ASN 69 N 1.66 7.44 -4.76 3.53 2.85 -1.26 -5.00 115.26 119.73 2gdt n ASN 69 Ca -0.17 -3.71 -0.33 0.00 -0.11 0.00 0.00 54.58 50.26 2gdt n ASN 69 Cb 0.56 -1.14 0.07 0.00 1.24 0.00 0.00 39.78 40.51 2gdt n ASN 69 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2gdt s HIS 70 N -4.00 2.48 0.01 1.20 3.76 -1.26 -4.87 115.29 112.60 2gdt s HIS 70 Ca 0.46 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.94 2gdt s HIS 70 Cb 0.30 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.79 2gdt s HIS 70 CO -0.25 -1.90 0.00 0.41 -0.85 0.00 0.00 174.74 172.15 2gdt n GLY 71 N -0.47 -2.14 3.73 -2.22 0.00 -1.26 -4.94 105.19 97.90 2gdt n GLY 71 Ca 0.11 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.41 2.19 -0.87 1.61 0.09 -1.26 -4.90 115.29 111.74 2gdt s HIS 72 Ca 0.00 1.62 -0.25 0.00 -0.00 0.00 0.00 55.06 56.43 2gdt s HIS 72 Cb 0.00 -3.31 -0.02 0.00 -0.00 0.00 0.00 32.58 29.25 2gdt s HIS 72 CO 0.00 -2.30 1.82 0.15 -0.00 0.00 0.00 174.74 174.41 2gdt s LYS 73 N -4.23 2.77 0.54 1.40 1.02 -1.26 -4.92 119.74 115.06 2gdt s LYS 73 Ca 0.69 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 56.19 2gdt s LYS 73 Cb -0.24 -4.97 -0.06 0.00 -0.52 0.00 0.00 37.83 32.04 2gdt s LYS 73 CO 0.48 -3.03 1.16 0.08 -0.92 0.00 0.00 175.35 173.12 2gdt s VAL 74 N 8.87 3.01 0.35 3.17 1.01 -1.26 -2.14 120.40 133.40 2gdt s VAL 74 Ca 0.64 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.33 2gdt s VAL 74 Cb -0.06 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2gdt s VAL 74 CO 0.02 -0.12 0.22 1.33 0.00 0.00 0.00 175.10 176.55 2gdt n VAL 75 N -1.26 0.00 -4.32 2.92 0.24 -0.79 -4.17 118.33 110.95 2gdt n VAL 75 Ca 0.12 -2.31 -0.20 0.00 -2.04 0.00 0.00 64.34 59.91 2gdt n VAL 75 Cb 0.50 1.03 -0.11 0.00 -1.47 0.00 0.00 33.84 33.79 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 -3.37 1.24 0.23 7.34 2.02 -0.61 -4.35 118.70 121.21 2gdt s GLU 76 Ca 0.31 -1.42 -0.30 0.00 0.02 0.00 0.00 54.97 53.58 2gdt s GLU 76 Cb 0.02 -1.20 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 2gdt s GLU 76 CO 0.22 0.23 1.00 -0.51 0.02 0.00 0.00 175.26 176.22 2gdt s LEU 77 N -2.78 4.59 0.05 1.80 1.43 -1.26 -3.24 118.68 119.26 2gdt s LEU 77 Ca 0.16 2.04 -0.03 0.00 -1.03 0.00 0.00 54.13 55.27 2gdt s LEU 77 Cb -0.04 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 2gdt s LEU 77 CO 0.06 0.01 0.02 -0.69 0.23 0.00 0.00 176.35 175.98 2gdt s VAL 78 N -0.96 0.17 0.02 -1.59 1.01 -0.91 -5.01 120.40 113.13 2gdt s VAL 78 Ca 0.43 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2gdt s VAL 78 Cb -0.28 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2gdt s VAL 78 CO 0.35 -0.79 -0.06 0.00 0.00 0.00 0.00 175.10 174.60 2gdt s ALA 79 N -3.18 0.44 -0.26 5.51 0.00 -1.26 -2.51 121.76 120.50 2gdt s ALA 79 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 2gdt s ALA 79 Cb 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.23 2gdt s ALA 79 CO -0.07 0.02 0.61 -1.21 0.00 0.00 0.00 175.76 175.10 2gdt s GLU 80 N -0.92 0.58 -0.11 0.00 0.41 -1.15 -4.98 118.70 112.54 2gdt s GLU 80 Ca -0.05 1.21 -0.27 0.00 -0.41 0.00 0.00 54.97 55.45 2gdt s GLU 80 Cb -0.06 0.36 -0.27 0.00 -1.78 0.00 0.00 34.13 32.37 2gdt s GLU 80 CO 0.00 -0.18 0.83 0.00 -0.49 0.00 0.00 175.26 175.42 2gdt h MET 81 N 7.44 0.09 -0.07 1.61 -0.00 -1.89 -0.37 114.93 121.75 2gdt h MET 81 Ca -0.26 -0.15 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 2gdt h MET 81 Cb 1.17 0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2gdt h MET 81 CO 0.16 1.05 0.00 -3.47 -0.00 0.00 0.00 176.91 174.65 2gdt n ASP 82 N -4.47 1.07 -4.26 -0.10 2.03 -1.26 -4.49 116.55 105.07 2gdt n ASP 82 Ca -0.11 -1.50 -0.31 0.00 0.52 0.00 0.00 54.79 53.39 2gdt n ASP 82 Cb 0.57 -0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.84 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gdt n GLY 83 N 1.05 -0.15 0.38 0.27 0.00 -1.25 -4.88 105.19 100.61 2gdt n GLY 83 Ca 0.17 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.75 0.13 -1.22 -0.61 2.04 -1.88 -3.35 117.51 110.86 2gdt h ILE 84 Ca -0.64 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 64.66 2gdt h ILE 84 Cb 1.36 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 2gdt h ILE 84 CO 0.68 0.00 -0.40 -1.10 0.00 0.00 0.00 178.15 177.33 2gdt s GLN 85 N -5.88 2.32 0.00 2.37 -0.21 -1.26 -4.87 119.66 112.13 2gdt s GLN 85 Ca -0.14 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 53.41 2gdt s GLN 85 Cb 0.13 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 32.02 2gdt s GLN 85 CO 0.66 -0.30 0.00 0.66 -2.12 0.00 0.00 175.29 174.19 2gdt n TYR 86 N -1.49 0.00 0.31 0.91 4.01 -1.26 -4.58 117.16 115.06 2gdt n TYR 86 Ca -0.00 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.93 2gdt n TYR 86 Cb 0.64 0.00 1.02 0.00 -0.31 0.00 0.00 39.34 40.69 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 0.00 -0.04 2.72 0.00 -1.90 -0.75 103.07 103.10 2gdt h GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gdt h GLY 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 2gdt n ARG 88 N -2.92 2.54 -2.51 4.80 3.00 -1.26 -5.05 116.66 115.25 2gdt n ARG 88 Ca -0.02 -1.81 -0.23 0.00 -0.00 0.00 0.00 57.85 55.79 2gdt n ARG 88 Cb 0.10 -1.15 0.07 0.00 0.00 0.00 0.00 32.46 31.49 2gdt n ARG 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2gdt s SER 89 N -1.51 4.81 0.00 6.15 0.01 -0.29 -5.04 113.70 117.83 2gdt s SER 89 Ca 0.09 -0.02 0.11 0.00 1.31 0.00 0.00 55.95 57.44 2gdt s SER 89 Cb 0.08 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.70 2gdt s SER 89 CO 0.01 -1.52 0.70 0.61 0.41 0.00 0.00 173.24 173.45 2gdt n GLY 90 N -2.67 -0.16 0.32 3.44 0.00 -1.26 -4.20 105.19 100.66 2gdt n GLY 90 Ca 0.10 -0.32 0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 1.39 0.12 -3.09 -0.61 2.10 -1.96 -3.45 117.51 112.01 2gdt h ILE 91 Ca 0.00 -0.07 -0.60 0.00 1.08 0.00 0.00 64.86 65.28 2gdt h ILE 91 Cb 0.39 1.06 -0.05 0.00 -1.09 0.00 0.00 36.82 37.13 2gdt h ILE 91 CO 0.00 0.01 -0.20 -0.89 -1.08 0.00 0.00 178.15 175.98 2gdt s THR 92 N -4.20 5.03 -0.10 2.19 2.01 -1.26 -1.95 115.64 117.35 2gdt s THR 92 Ca -0.04 0.70 0.08 0.00 0.31 0.00 0.00 61.69 62.74 2gdt s THR 92 Cb 0.13 -3.69 -0.12 0.00 0.01 0.00 0.00 72.50 68.82 2gdt s THR 92 CO 0.45 0.43 0.02 0.18 -0.69 0.00 0.00 174.62 175.02 2gdt n LEU 93 N 1.37 0.24 0.00 4.42 4.77 -0.20 -4.97 117.00 122.62 2gdt n LEU 93 Ca -0.11 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.87 2gdt n LEU 93 Cb 0.52 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2gdt n LEU 93 CO 0.40 0.29 0.21 0.61 -1.33 0.00 0.00 177.39 177.57 2gdt n GLY 94 N 2.41 0.52 3.37 -0.72 0.00 -1.26 -3.96 105.19 105.56 2gdt n GLY 94 Ca -0.17 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.11 2.85 0.28 1.61 1.01 -0.04 -2.06 120.40 121.93 2gdt s VAL 95 Ca 0.06 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2gdt s VAL 95 Cb -0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 2gdt s VAL 95 CO -0.00 0.55 0.80 -0.76 0.00 0.00 0.00 175.10 175.69 2gdt s LEU 96 N 0.01 4.27 0.01 3.92 1.43 0.49 -0.64 118.68 128.17 2gdt s LEU 96 Ca -0.05 1.53 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 2gdt s LEU 96 Cb -0.14 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 2gdt s LEU 96 CO 0.04 -0.06 0.04 0.68 0.23 0.00 0.00 176.35 177.29 2gdt s VAL 97 N -1.66 0.09 0.06 -1.59 -7.23 -0.51 -4.50 120.40 105.06 2gdt s VAL 97 Ca 0.48 -0.75 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 2gdt s VAL 97 Cb -0.16 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.40 2gdt s VAL 97 CO 0.21 -0.41 1.57 -2.16 -0.31 0.00 0.00 175.10 174.00 2gdt s PRO 98 N -1.30 4.22 -0.02 4.82 0.04 -1.26 -0.43 135.00 141.08 2gdt s PRO 98 Ca -0.14 2.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 2gdt s PRO 98 Cb -0.08 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2gdt s PRO 98 CO 0.00 -0.68 1.12 -1.58 0.04 0.00 0.00 177.00 175.91 2gdt s HIS 99 N 2.45 3.41 -0.26 0.56 2.46 -0.19 -4.75 115.29 118.97 2gdt s HIS 99 Ca 0.71 1.40 0.17 0.00 0.47 0.00 0.00 55.06 57.81 2gdt s HIS 99 Cb -0.38 -3.32 0.49 0.00 -0.13 0.00 0.00 32.58 29.24 2gdt s HIS 99 CO 0.31 -0.86 1.14 1.33 -2.47 0.00 0.00 174.74 174.18 2gdt n VAL 100 N 4.24 1.67 -3.23 0.89 0.24 -1.26 -4.66 118.33 116.22 2gdt n VAL 100 Ca 0.09 -3.30 -0.15 0.00 -2.04 0.00 0.00 64.34 58.94 2gdt n VAL 100 Cb 0.48 0.44 0.07 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.61 -0.24 0.00 7.63 0.00 -1.26 -5.02 105.19 105.69 2gdt n GLY 101 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.72 0.00 -3.65 1.61 -0.58 -1.26 -5.10 120.64 107.94 2gdt n GLU 102 Ca -0.21 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.48 2gdt n GLU 102 Cb 0.63 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.44 2gdt n GLU 102 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2gdt s THR 103 N 0.08 -0.40 0.46 2.62 -1.32 -1.26 -5.15 115.64 110.66 2gdt s THR 103 Ca 0.00 0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 60.27 2gdt s THR 103 Cb 0.00 -0.98 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 2gdt s THR 103 CO 0.00 0.00 1.05 -2.16 -2.21 0.00 0.00 174.62 171.30 2gdt s PRO 104 N 2.14 3.90 -0.08 7.08 0.04 -1.26 -4.44 135.00 142.38 2gdt s PRO 104 Ca -0.08 1.44 0.18 0.00 0.04 0.00 0.00 61.00 62.58 2gdt s PRO 104 Cb -0.08 -2.25 -0.27 0.00 0.04 0.00 0.00 34.50 31.94 2gdt s PRO 104 CO -0.19 -0.36 0.30 0.44 0.04 0.00 0.00 177.00 177.23 2gdt n ILE 105 N -0.66 0.43 -3.81 0.56 -0.00 -0.56 -5.00 119.36 110.32 2gdt n ILE 105 Ca 0.08 -0.55 -0.09 0.00 -0.00 0.00 0.00 62.75 62.18 2gdt n ILE 105 Cb 0.51 -0.15 0.03 0.00 -0.00 0.00 0.00 39.64 40.03 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 -2.34 -1.68 -2.74 -1.28 0.00 -1.25 -5.03 120.51 106.19 2gdt n ALA 106 Ca -0.12 -1.29 -0.17 0.00 0.00 0.00 0.00 53.44 51.85 2gdt n ALA 106 Cb 0.71 1.03 -0.15 0.00 0.00 0.00 0.00 19.45 21.04 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 -2.24 0.63 -0.41 0.00 1.51 -1.26 -0.58 117.35 115.00 2gdt s TYR 107 Ca 0.17 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 2gdt s TYR 107 Cb -0.05 -0.41 0.11 0.00 -0.11 0.00 0.00 41.96 41.51 2gdt s TYR 107 CO 0.12 -0.01 0.15 1.03 -1.11 0.00 0.00 175.55 175.73 2gdt s ARG 108 N -0.14 1.79 0.20 -0.62 1.81 0.56 -4.87 118.95 117.67 2gdt s ARG 108 Ca 0.02 -2.02 -0.26 0.00 -1.72 0.00 0.00 55.73 51.76 2gdt s ARG 108 Cb -0.03 -3.37 -0.08 0.00 -0.45 0.00 0.00 34.95 31.01 2gdt s ARG 108 CO -0.00 -1.02 0.82 -0.80 -0.68 0.00 0.00 175.30 173.61 2gdt s ASN 109 N 0.98 7.40 0.33 0.23 -0.87 -1.26 -1.52 114.94 120.23 2gdt s ASN 109 Ca 0.12 1.70 0.04 0.00 -1.57 0.00 0.00 52.86 53.14 2gdt s ASN 109 Cb -0.21 -2.52 -0.02 0.00 -0.02 0.00 0.00 41.25 38.48 2gdt s ASN 109 CO -0.05 0.16 0.35 0.68 -2.57 0.00 0.00 177.10 175.66 2gdt s VAL 110 N -1.24 0.00 0.38 1.60 -7.23 0.36 -4.97 120.40 109.30 2gdt s VAL 110 Ca 0.39 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2gdt s VAL 110 Cb -0.23 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 2gdt s VAL 110 CO 0.27 0.00 0.12 -0.76 -0.31 0.00 0.00 175.10 174.42 2gdt s LEU 111 N -3.33 3.10 -0.01 1.32 2.01 -0.91 -1.26 118.68 119.60 2gdt s LEU 111 Ca 0.37 -1.01 0.03 0.00 0.01 0.00 0.00 54.13 53.53 2gdt s LEU 111 Cb 0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 46.19 44.76 2gdt s LEU 111 CO 0.25 -0.42 -0.11 -0.22 1.01 0.00 0.00 176.35 176.87 2gdt s LEU 112 N -3.84 2.00 0.11 1.79 2.96 0.11 -1.88 118.68 119.93 2gdt s LEU 112 Ca 0.39 -0.19 -0.35 0.00 -0.22 0.00 0.00 54.13 53.75 2gdt s LEU 112 Cb 0.02 -0.55 -0.15 0.00 0.50 0.00 0.00 46.19 46.00 2gdt s LEU 112 CO 0.22 0.13 1.47 -2.11 -1.32 0.00 0.00 176.35 174.74 2gdt n ARG 113 N 2.85 1.64 -3.20 1.98 1.85 -1.26 -0.45 116.66 120.07 2gdt n ARG 113 Ca -0.14 0.59 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 2gdt n ARG 113 Cb 0.56 -2.30 -0.02 0.00 -1.05 0.00 0.00 32.46 29.66 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2gdt s LYS 114 N 0.84 0.55 0.31 2.89 1.02 -1.26 -4.71 119.74 119.39 2gdt s LYS 114 Ca 0.82 0.33 0.05 0.00 0.02 0.00 0.00 55.97 57.19 2gdt s LYS 114 Cb -0.82 0.08 0.67 0.00 -0.52 0.00 0.00 37.83 37.24 2gdt s LYS 114 CO 0.43 -1.07 1.84 -2.95 -0.92 0.00 0.00 175.35 172.69 2gdt h ASN 115 N 7.91 0.81 0.00 2.83 -1.07 -1.95 0.34 115.58 124.45 2gdt h ASN 115 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2gdt h ASN 115 Cb 1.17 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 2gdt h ASN 115 CO 0.17 0.41 0.00 0.61 0.07 0.00 0.00 177.43 178.69