#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 -2.30 -3.24 1.61 -0.00 -1.25 -4.99 115.22 105.04 2gdt n HIS 2 Ca 0.00 1.24 -0.33 0.00 -0.00 0.00 0.00 57.72 58.63 2gdt n HIS 2 Cb 0.00 -2.23 -0.06 0.00 -0.00 0.00 0.00 29.99 27.70 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 -3.85 4.77 -0.07 1.59 1.01 -0.76 -4.83 120.40 118.26 2gdt s VAL 3 Ca 0.00 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 2gdt s VAL 3 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2gdt s VAL 3 CO 0.00 -0.11 0.43 -1.58 0.00 0.00 0.00 175.10 173.83 2gdt s GLN 4 N -2.85 4.15 0.07 2.72 0.74 -1.26 0.09 119.66 123.33 2gdt s GLN 4 Ca 0.51 0.40 0.05 0.00 0.05 0.00 0.00 55.36 56.37 2gdt s GLN 4 Cb -0.11 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 2gdt s GLN 4 CO 0.19 0.40 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.68 2gdt s LEU 5 N -0.15 2.28 0.02 3.68 1.43 0.08 -4.95 118.68 121.08 2gdt s LEU 5 Ca 0.24 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2gdt s LEU 5 Cb -0.16 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 2gdt s LEU 5 CO 0.11 -0.09 -0.17 -0.94 0.23 0.00 0.00 176.35 175.49 2gdt s SER 6 N -1.77 2.05 0.05 2.29 1.04 -1.26 -1.27 113.70 114.83 2gdt s SER 6 Ca -0.02 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.05 2gdt s SER 6 Cb -0.10 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 2gdt s SER 6 CO 0.02 0.15 -0.14 -0.76 0.98 0.00 0.00 173.24 173.50 2gdt s LEU 7 N -0.82 2.23 0.21 2.42 1.43 0.08 -5.00 118.68 119.23 2gdt s LEU 7 Ca 0.06 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 2gdt s LEU 7 Cb -0.07 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.53 2gdt s LEU 7 CO 0.01 -0.03 1.16 -2.16 0.23 0.00 0.00 176.35 175.56 2gdt s PRO 8 N -1.44 4.53 -0.31 1.29 0.04 -1.26 -0.67 135.00 137.18 2gdt s PRO 8 Ca -0.01 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 2gdt s PRO 8 Cb -0.09 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 2gdt s PRO 8 CO 0.02 -0.00 0.76 0.08 0.04 0.00 0.00 177.00 177.89 2gdt s VAL 9 N -0.37 4.81 0.16 -0.36 1.01 0.57 -0.91 120.40 125.32 2gdt s VAL 9 Ca 0.50 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.63 2gdt s VAL 9 Cb -0.32 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2gdt s VAL 9 CO 0.38 -0.25 0.09 -0.76 0.00 0.00 0.00 175.10 174.57 2gdt s LEU 10 N 2.90 3.66 0.54 3.92 1.43 -0.50 -1.49 118.68 129.15 2gdt s LEU 10 Ca 0.31 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 2gdt s LEU 10 Cb -0.14 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 2gdt s LEU 10 CO 0.13 0.08 1.12 -1.10 0.23 0.00 0.00 176.35 176.81 2gdt s GLN 11 N -3.02 3.37 0.63 1.70 -0.21 -1.26 -4.54 119.66 116.32 2gdt s GLN 11 Ca 0.30 1.60 0.36 0.00 0.02 0.00 0.00 55.36 57.63 2gdt s GLN 11 Cb -0.10 -2.01 2.06 0.00 1.00 0.00 0.00 33.01 33.97 2gdt s GLN 11 CO 0.22 -0.84 2.29 -0.24 -2.12 0.00 0.00 175.29 174.60 2gdt h VAL 12 N 1.19 0.29 0.02 1.09 3.04 -1.94 -0.21 116.25 119.74 2gdt h VAL 12 Ca -0.50 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 64.94 2gdt h VAL 12 Cb 1.26 0.98 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 2gdt h VAL 12 CO 0.57 0.00 -1.34 0.08 -1.01 0.00 0.00 177.57 175.87 2gdt h ARG 13 N 0.00 0.04 -0.17 4.17 0.11 -1.97 -3.36 114.38 113.21 2gdt h ARG 13 Ca 0.01 -0.07 -0.13 0.00 0.10 0.00 0.00 59.98 59.88 2gdt h ARG 13 Cb 0.05 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 2gdt h ARG 13 CO -0.00 0.84 -0.44 -0.44 0.10 0.00 0.00 179.97 180.03 2gdt h ASP 14 N 0.01 0.43 0.00 0.08 3.32 -1.40 -3.33 116.42 115.54 2gdt h ASP 14 Ca -0.15 -0.20 -0.30 0.00 0.02 0.00 0.00 57.03 56.41 2gdt h ASP 14 Cb 1.90 -0.12 0.06 0.00 0.22 0.00 0.00 39.33 41.39 2gdt h ASP 14 CO 0.12 0.82 1.34 0.52 -1.72 0.00 0.00 179.24 180.32 2gdt n VAL 15 N -4.00 0.29 -0.21 -1.35 0.31 -0.88 -4.77 118.33 107.72 2gdt n VAL 15 Ca -0.02 -0.20 0.06 0.00 -0.01 0.00 0.00 64.34 64.17 2gdt n VAL 15 Cb 0.52 -1.79 0.13 0.00 -0.91 0.00 0.00 33.84 31.79 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 6.66 -0.14 -4.07 7.52 4.77 -1.25 -3.88 117.00 126.60 2gdt n LEU 16 Ca 0.25 1.00 -0.32 0.00 -0.03 0.00 0.00 56.01 56.91 2gdt n LEU 16 Cb 0.20 -0.33 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 2gdt n LEU 16 CO 0.82 -0.99 -0.39 -0.69 -1.33 0.00 0.00 177.39 174.82 2gdt s VAL 17 N -5.60 2.39 -1.86 4.08 1.01 -1.26 -4.99 120.40 114.17 2gdt s VAL 17 Ca -0.08 -1.85 0.20 0.00 0.00 0.00 0.00 61.98 60.25 2gdt s VAL 17 Cb 0.17 -2.53 0.53 0.00 0.00 0.00 0.00 36.38 34.54 2gdt s VAL 17 CO 0.46 -0.26 1.44 0.54 0.00 0.00 0.00 175.10 177.28 2gdt n ARG 18 N 4.41 2.66 -4.42 2.72 1.74 -1.25 -4.41 116.66 118.10 2gdt n ARG 18 Ca -0.08 -2.44 -0.27 0.00 -0.77 0.00 0.00 57.85 54.30 2gdt n ARG 18 Cb 0.42 -1.49 -0.17 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.10 0.91 0.20 -0.13 0.00 -1.26 -4.36 107.32 101.59 2gdt s GLY 19 Ca 0.41 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.46 2gdt s GLY 19 CO 0.29 0.28 1.79 0.74 0.00 0.00 0.00 173.10 176.20 2gdt h PHE 20 N 7.37 1.09 -3.16 1.90 0.04 -1.88 -3.46 116.94 118.84 2gdt h PHE 20 Ca -0.31 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.26 2gdt h PHE 20 Cb 1.17 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 2gdt h PHE 20 CO 0.48 0.81 -0.04 0.41 -0.60 0.00 0.00 178.31 179.37 2gdt n GLY 21 N -0.96 2.22 0.59 -1.45 0.00 -1.26 -4.89 105.19 99.45 2gdt n GLY 21 Ca 0.06 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.69 2gdt n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gdt n ASP 22 N -1.70 2.54 -4.39 1.61 2.03 -1.26 -4.67 116.55 110.71 2gdt n ASP 22 Ca -0.01 -1.77 -0.19 0.00 0.52 0.00 0.00 54.79 53.34 2gdt n ASP 22 Cb 0.38 -0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.54 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gdt s SER 23 N -1.00 2.28 0.04 1.67 0.01 -1.26 -4.83 113.70 110.61 2gdt s SER 23 Ca 0.20 -1.23 -0.26 0.00 1.31 0.00 0.00 55.95 55.97 2gdt s SER 23 Cb 0.12 -0.08 -0.14 0.00 0.21 0.00 0.00 66.02 66.13 2gdt s SER 23 CO 0.16 -0.46 1.35 0.58 0.41 0.00 0.00 173.24 175.28 2gdt h VAL 24 N 2.34 0.00 0.00 3.43 2.07 -1.92 -1.98 116.25 120.19 2gdt h VAL 24 Ca -0.39 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2gdt h VAL 24 Cb 1.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2gdt h VAL 24 CO 0.66 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 177.64 2gdt h GLU 25 N -0.94 0.00 0.05 1.57 5.08 -1.98 -0.92 114.58 117.44 2gdt h GLU 25 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2gdt h GLU 25 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2gdt h GLU 25 CO 0.15 0.28 -0.11 0.93 -1.00 0.00 0.00 179.01 179.27 2gdt h GLU 26 N 0.00 -0.16 -0.94 2.33 5.08 -1.96 -1.30 114.58 117.63 2gdt h GLU 26 Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2gdt h GLU 26 Cb 0.80 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2gdt h GLU 26 CO 0.04 -0.11 0.60 0.00 -1.00 0.00 0.00 179.01 178.53 2gdt h ALA 27 N -1.42 1.29 -0.01 3.43 0.00 -0.91 0.16 119.26 121.79 2gdt h ALA 27 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2gdt h ALA 27 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2gdt h ALA 27 CO -0.04 0.37 -0.17 1.25 0.00 0.00 0.00 179.25 180.66 2gdt h LEU 28 N 1.09 -0.50 -0.10 0.00 6.46 -1.20 -1.96 115.31 119.09 2gdt h LEU 28 Ca 0.40 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 58.20 2gdt h LEU 28 Cb 0.16 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2gdt h LEU 28 CO -0.17 -0.23 -0.07 -1.28 -0.62 0.00 0.00 178.44 176.07 2gdt h SER 29 N -0.28 0.24 -0.92 1.25 0.87 -0.08 -3.04 113.55 111.59 2gdt h SER 29 Ca 0.06 -0.44 0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2gdt h SER 29 Cb 0.35 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 2gdt h SER 29 CO -0.17 0.62 0.60 -0.33 -0.53 0.00 0.00 176.83 177.03 2gdt h GLU 30 N -0.15 1.16 0.14 2.24 4.39 -1.03 0.25 114.58 121.59 2gdt h GLU 30 Ca 0.02 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2gdt h GLU 30 Cb 0.54 -0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 2gdt h GLU 30 CO 0.02 0.77 -0.53 0.00 -1.16 0.00 0.00 179.01 178.11 2gdt h ALA 31 N 1.36 -1.01 -0.96 3.43 0.00 -1.37 0.17 119.26 120.87 2gdt h ALA 31 Ca 0.35 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.36 2gdt h ALA 31 Cb -0.06 0.90 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 2gdt h ALA 31 CO -0.10 -1.14 -0.15 -0.09 0.00 0.00 0.00 179.25 177.77 2gdt h ARG 32 N -0.77 0.01 0.00 0.00 2.43 -1.19 0.34 114.38 115.19 2gdt h ARG 32 Ca -0.01 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2gdt h ARG 32 Cb 0.77 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2gdt h ARG 32 CO -0.28 0.00 -0.10 1.49 -1.51 0.00 0.00 179.97 179.58 2gdt h GLU 33 N 0.01 0.00 0.01 0.20 4.81 0.50 -1.58 114.58 118.52 2gdt h GLU 33 Ca 0.50 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.37 2gdt h GLU 33 Cb 0.86 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.18 2gdt h GLU 33 CO -0.96 0.10 -2.27 0.72 -0.73 0.00 0.00 179.01 175.87 2gdt n HIS 34 N -3.31 0.28 -0.35 0.92 8.25 0.45 -3.65 115.22 117.81 2gdt n HIS 34 Ca -0.00 0.08 0.03 0.00 -0.26 0.00 0.00 57.72 57.57 2gdt n HIS 34 Cb 0.31 -1.05 0.20 0.00 1.12 0.00 0.00 29.99 30.57 2gdt n HIS 34 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2gdt h LEU 35 N 0.01 1.00 -1.66 2.41 4.07 -0.33 0.41 115.31 121.22 2gdt h LEU 35 Ca -0.51 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.44 2gdt h LEU 35 Cb 2.09 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 43.62 2gdt h LEU 35 CO 0.01 0.64 -0.09 0.50 -1.08 0.00 0.00 178.44 178.42 2gdt h LYS 36 N 1.14 0.00 -0.01 1.13 3.11 -1.42 -2.42 116.57 118.09 2gdt h LYS 36 Ca 0.42 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 2gdt h LYS 36 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 2gdt h LYS 36 CO -0.16 0.09 -0.71 0.09 -2.81 0.00 0.00 179.45 175.95 2gdt n ASN 37 N -3.32 1.56 0.00 4.20 3.02 -0.48 -4.98 115.26 115.27 2gdt n ASN 37 Ca -0.01 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2gdt n ASN 37 Cb 0.29 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 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 1.46 0.58 1.75 7.41 0.00 0.12 -4.92 105.19 111.60 2gdt n GLY 38 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.10 2.50 -4.40 2.61 -2.24 0.23 -4.84 114.28 106.04 2gdt n THR 39 Ca 0.00 -1.27 -0.20 0.00 -2.27 0.00 0.00 64.05 60.31 2gdt n THR 39 Cb 0.03 -1.35 -0.14 0.00 -2.10 0.00 0.00 70.33 66.77 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 -0.87 2.40 -0.06 0.00 0.00 0.72 -4.34 107.32 105.15 2gdt s GLY 41 Ca 0.02 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.22 2gdt s GLY 41 CO 0.01 -1.86 -0.18 -2.27 0.00 0.00 0.00 173.10 168.80 2gdt s LEU 42 N -3.58 1.88 -0.11 0.66 2.96 -0.09 -1.48 118.68 118.93 2gdt s LEU 42 Ca 0.28 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2gdt s LEU 42 Cb 0.05 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 2gdt s LEU 42 CO 0.14 0.12 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.58 2gdt s VAL 43 N 0.27 4.08 0.03 1.68 1.01 0.41 -1.41 120.40 126.47 2gdt s VAL 43 Ca -0.10 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2gdt s VAL 43 Cb -0.14 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2gdt s VAL 43 CO 0.04 0.57 1.07 -1.61 0.00 0.00 0.00 175.10 175.17 2gdt s GLU 44 N -0.46 4.51 0.03 2.72 2.02 -1.26 -1.02 118.70 125.24 2gdt s GLU 44 Ca 0.08 1.58 -0.30 0.00 0.02 0.00 0.00 54.97 56.34 2gdt s GLU 44 Cb -0.12 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.63 2gdt s GLU 44 CO 0.02 -0.12 1.65 -0.51 0.02 0.00 0.00 175.26 176.32 2gdt s LEU 45 N 0.95 4.35 0.24 1.80 1.43 -1.23 -4.87 118.68 121.36 2gdt s LEU 45 Ca 0.55 2.40 -0.00 0.00 -1.03 0.00 0.00 54.13 56.04 2gdt s LEU 45 Cb -0.25 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 2gdt s LEU 45 CO 0.29 -0.89 0.22 -1.61 0.23 0.00 0.00 176.35 174.59 2gdt s GLU 46 N 3.09 1.40 0.07 1.70 0.41 -1.26 -5.00 118.70 119.11 2gdt s GLU 46 Ca 0.74 -1.69 -0.23 0.00 -0.41 0.00 0.00 54.97 53.38 2gdt s GLU 46 Cb -0.38 0.31 -0.15 0.00 -1.78 0.00 0.00 34.13 32.14 2gdt s GLU 46 CO 0.32 -0.50 1.64 -0.22 -0.49 0.00 0.00 175.26 176.01 2gdt h LYS 47 N 2.44 0.05 -0.62 1.61 1.63 -2.03 -3.35 116.57 116.31 2gdt h LYS 47 Ca -0.32 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2gdt h LYS 47 Cb 1.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2gdt h LYS 47 CO 0.47 0.15 0.00 0.41 -3.45 0.00 0.00 179.45 177.03 2gdt n GLY 48 N -0.79 2.84 0.13 5.01 0.00 -1.26 -4.47 105.19 106.65 2gdt n GLY 48 Ca -0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 0.62 1.61 -0.21 1.61 0.31 -1.26 -4.37 118.33 116.64 2gdt n VAL 49 Ca 0.26 -0.46 0.02 0.00 -0.01 0.00 0.00 64.34 64.14 2gdt n VAL 49 Cb 1.10 -1.73 0.13 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.34 -0.02 -3.65 7.52 3.38 -1.83 -0.96 115.31 119.42 2gdt h LEU 50 Ca -0.51 0.12 -0.24 0.00 0.09 0.00 0.00 57.88 57.34 2gdt h LEU 50 Cb 1.78 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 42.61 2gdt h LEU 50 CO -0.11 -0.01 0.15 -0.81 0.09 0.00 0.00 178.44 177.74 2gdt n PRO 51 N -5.15 1.74 0.00 1.13 -0.04 -1.26 -2.36 135.00 129.05 2gdt n PRO 51 Ca 0.10 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2gdt n PRO 51 Cb 0.36 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.17 2.45 -1.78 0.54 6.02 -0.47 -5.11 117.38 120.20 2gdt n GLN 52 Ca 0.28 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.97 2gdt n GLN 52 Cb 0.62 -0.26 0.16 0.00 1.02 0.00 0.00 30.24 31.78 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 -0.23 2.35 0.00 1.08 2.01 -0.60 -4.98 118.68 118.32 2gdt s LEU 53 Ca 0.00 0.51 0.00 0.00 0.01 0.00 0.00 54.13 54.65 2gdt s LEU 53 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 46.19 43.54 2gdt s LEU 53 CO 0.00 -2.68 0.00 -0.62 1.01 0.00 0.00 176.35 174.06 2gdt n GLU 54 N -3.78 0.00 0.09 1.70 1.02 -1.26 -5.00 120.64 113.42 2gdt n GLU 54 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2gdt n GLU 54 Cb 0.60 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 0.00 0.00 -2.29 3.49 1.13 -1.26 -5.00 117.38 113.45 2gdt n GLN 55 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 2gdt n GLN 55 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2gdt s PRO 56 N -2.00 3.03 -1.07 -1.09 0.04 -1.26 -4.13 135.00 128.52 2gdt s PRO 56 Ca 0.00 -0.63 -0.22 0.00 0.04 0.00 0.00 61.00 60.19 2gdt s PRO 56 Cb 0.00 -5.16 0.05 0.00 0.04 0.00 0.00 34.50 29.43 2gdt s PRO 56 CO 0.00 -2.82 1.53 0.71 0.04 0.00 0.00 177.00 176.46 2gdt s TYR 57 N 7.70 2.54 -0.87 0.56 2.02 0.26 -4.70 117.35 124.86 2gdt s TYR 57 Ca 0.59 -0.90 -0.24 0.00 -0.37 0.00 0.00 57.07 56.15 2gdt s TYR 57 Cb -0.04 -4.68 -0.18 0.00 -0.40 0.00 0.00 41.96 36.66 2gdt s TYR 57 CO -0.04 -1.90 2.22 1.55 -1.57 0.00 0.00 175.55 175.81 2gdt n VAL 58 N 6.85 0.00 -1.87 0.71 3.14 -1.26 -2.09 118.33 123.81 2gdt n VAL 58 Ca 0.36 -0.33 -0.30 0.00 -2.96 0.00 0.00 64.34 61.12 2gdt n VAL 58 Cb 0.50 -1.73 0.06 0.00 -1.06 0.00 0.00 33.84 31.62 2gdt n VAL 58 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2gdt s PHE 59 N 13.81 3.16 -0.08 1.45 0.08 -0.20 -0.39 117.98 135.80 2gdt s PHE 59 Ca 0.88 0.94 0.02 0.00 0.12 0.00 0.00 56.93 58.88 2gdt s PHE 59 Cb -0.16 -3.24 0.01 0.00 -0.57 0.00 0.00 43.02 39.07 2gdt s PHE 59 CO 0.15 -1.44 -0.14 0.96 -0.10 0.00 0.00 175.22 174.66 2gdt s ILE 60 N -3.43 1.30 0.07 0.64 -4.36 -0.56 -0.51 121.20 114.35 2gdt s ILE 60 Ca 0.60 -0.55 0.08 0.00 -0.26 0.00 0.00 60.65 60.51 2gdt s ILE 60 Cb -0.11 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 2gdt s ILE 60 CO 0.51 0.40 -0.20 -1.59 0.24 0.00 0.00 174.94 174.29 2gdt s LYS 61 N 0.82 1.22 -1.13 0.37 -2.85 -0.99 -0.41 119.74 116.77 2gdt s LYS 61 Ca -0.11 -1.04 -0.10 0.00 -1.00 0.00 0.00 55.97 53.73 2gdt s LYS 61 Cb -0.15 -1.40 -0.07 0.00 -2.06 0.00 0.00 37.83 34.15 2gdt s LYS 61 CO 0.02 0.34 2.32 2.89 0.10 0.00 0.00 175.35 181.02 2gdt n ARG 62 N 1.47 2.50 0.00 1.78 1.85 -0.96 -0.80 116.66 122.50 2gdt n ARG 62 Ca -0.18 -1.81 0.00 0.00 -1.00 0.00 0.00 57.85 54.85 2gdt n ARG 62 Cb 0.53 -2.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.26 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 4.68 0.00 0.00 2.89 2.88 -1.12 -4.59 113.62 118.36 2gdt n SER 63 Ca 0.55 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2gdt n SER 63 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 6.06 0.00 -4.55 -3.46 -0.08 -1.26 -4.91 116.55 108.34 2gdt n ASP 64 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 2gdt n ASP 64 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gdt s ALA 65 N -0.98 3.51 0.21 -1.67 0.00 -1.26 -4.99 121.76 116.58 2gdt s ALA 65 Ca 0.00 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.54 2gdt s ALA 65 Cb 0.00 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.47 2gdt s ALA 65 CO 0.00 -0.92 0.94 -0.48 0.00 0.00 0.00 175.76 175.30 2gdt s LEU 66 N 1.90 -0.10 -0.01 0.00 2.34 -1.26 -5.05 118.68 116.50 2gdt s LEU 66 Ca 0.10 -0.62 -0.04 0.00 0.06 0.00 0.00 54.13 53.62 2gdt s LEU 66 Cb -0.17 2.30 0.00 0.00 -0.56 0.00 0.00 46.19 47.76 2gdt s LEU 66 CO 0.11 -1.09 0.09 -0.55 -1.06 0.00 0.00 176.35 173.85 2gdt s SER 67 N -3.11 0.00 -1.28 1.48 0.15 -1.26 -5.06 113.70 104.62 2gdt s SER 67 Ca 0.16 -0.06 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 2gdt s SER 67 Cb -0.03 0.19 0.16 0.00 -1.71 0.00 0.00 66.02 64.63 2gdt s SER 67 CO 0.05 -0.19 1.95 0.41 1.20 0.00 0.00 173.24 176.66 2gdt n THR 68 N 2.24 4.50 0.00 6.45 -1.04 -1.26 -4.24 114.28 120.94 2gdt n THR 68 Ca -0.18 -4.41 0.00 0.00 -2.04 0.00 0.00 64.05 57.42 2gdt n THR 68 Cb 0.57 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 2gdt n THR 68 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2gdt n ASN 69 N 3.48 0.00 -3.81 8.00 3.02 -1.26 -4.98 115.26 119.70 2gdt n ASN 69 Ca 0.43 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 2gdt n ASN 69 Cb 0.34 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.53 2gdt n ASN 69 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2gdt n HIS 70 N 0.00 2.51 -3.61 3.10 -0.00 -1.26 -4.88 115.22 111.08 2gdt n HIS 70 Ca 0.00 -2.58 -0.03 0.00 0.46 0.00 0.00 57.72 55.57 2gdt n HIS 70 Cb 0.00 -1.22 -0.02 0.00 -0.12 0.00 0.00 29.99 28.64 2gdt n HIS 70 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 2gdt s GLY 71 N -1.59 -0.30 0.54 1.57 0.00 -1.26 -5.03 107.32 101.25 2gdt s GLY 71 Ca 0.35 1.48 0.09 0.00 0.00 0.00 0.00 44.72 46.64 2gdt s GLY 71 CO -0.01 0.47 0.71 0.30 0.00 0.00 0.00 173.10 174.56 2gdt s HIS 72 N -2.34 1.68 -0.86 1.90 0.09 -1.26 -4.62 115.29 109.88 2gdt s HIS 72 Ca 0.11 -0.68 -0.25 0.00 -0.00 0.00 0.00 55.06 54.24 2gdt s HIS 72 Cb 0.00 -2.21 -0.03 0.00 -0.00 0.00 0.00 32.58 30.34 2gdt s HIS 72 CO -0.04 -0.95 1.88 0.15 -0.00 0.00 0.00 174.74 175.78 2gdt s LYS 73 N -4.57 2.65 0.58 1.40 1.02 -1.26 -4.75 119.74 114.82 2gdt s LYS 73 Ca 0.58 -0.19 -0.14 0.00 0.02 0.00 0.00 55.97 56.24 2gdt s LYS 73 Cb -0.06 -4.95 -0.05 0.00 -0.52 0.00 0.00 37.83 32.25 2gdt s LYS 73 CO 0.36 -3.16 1.02 0.14 -0.92 0.00 0.00 175.35 172.79 2gdt s VAL 74 N 9.46 4.50 0.37 3.17 -7.23 -1.26 -4.33 120.40 125.08 2gdt s VAL 74 Ca 0.67 1.00 0.05 0.00 -1.81 0.00 0.00 61.98 61.89 2gdt s VAL 74 Cb -0.07 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 2gdt s VAL 74 CO 0.03 -0.88 0.17 0.68 -0.31 0.00 0.00 175.10 174.79 2gdt s VAL 75 N -2.88 0.39 0.10 1.32 -7.23 -1.14 -2.80 120.40 108.17 2gdt s VAL 75 Ca 0.58 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 2gdt s VAL 75 Cb -0.11 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2gdt s VAL 75 CO 0.43 0.00 0.16 -1.83 -0.31 0.00 0.00 175.10 173.55 2gdt s GLU 76 N -3.66 0.88 0.28 4.82 -1.05 0.01 -4.24 118.70 115.75 2gdt s GLU 76 Ca 0.30 -1.10 -0.29 0.00 -0.15 0.00 0.00 54.97 53.73 2gdt s GLU 76 Cb 0.03 0.32 -0.10 0.00 -0.44 0.00 0.00 34.13 33.94 2gdt s GLU 76 CO 0.19 -0.27 1.15 -0.51 0.95 0.00 0.00 175.26 176.76 2gdt s LEU 77 N -2.91 4.52 0.35 1.83 1.43 -1.26 -2.34 118.68 120.29 2gdt s LEU 77 Ca 0.10 2.35 0.04 0.00 -1.03 0.00 0.00 54.13 55.59 2gdt s LEU 77 Cb 0.05 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2gdt s LEU 77 CO -0.07 -0.24 0.16 -0.69 0.23 0.00 0.00 176.35 175.74 2gdt s VAL 78 N -1.03 0.42 0.07 -1.59 1.01 0.33 -4.93 120.40 114.69 2gdt s VAL 78 Ca 0.46 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 2gdt s VAL 78 Cb -0.34 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.63 2gdt s VAL 78 CO 0.43 0.00 0.50 0.00 0.00 0.00 0.00 175.10 176.03 2gdt s ALA 79 N -3.42 -1.26 -0.29 5.51 0.00 -1.26 -1.03 121.76 120.01 2gdt s ALA 79 Ca 0.32 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 2gdt s ALA 79 Cb 0.04 0.48 0.12 0.00 0.00 0.00 0.00 23.12 23.76 2gdt s ALA 79 CO 0.18 -0.55 0.71 -1.21 0.00 0.00 0.00 175.76 174.89 2gdt s GLU 80 N -2.82 0.58 0.00 0.00 0.41 -0.89 -4.84 118.70 111.15 2gdt s GLU 80 Ca -0.03 1.27 0.24 0.00 -0.41 0.00 0.00 54.97 56.04 2gdt s GLU 80 Cb -0.00 0.58 0.98 0.00 -1.78 0.00 0.00 34.13 33.90 2gdt s GLU 80 CO -0.05 -0.17 1.68 0.00 -0.49 0.00 0.00 175.26 176.24 2gdt n MET 81 N 4.98 1.57 -1.12 1.61 0.00 -1.26 -0.57 117.12 122.33 2gdt n MET 81 Ca -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 57.70 56.72 2gdt n MET 81 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.33 2gdt n MET 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2gdt n ASP 82 N 0.05 0.42 0.00 3.17 2.03 -1.26 -4.78 116.55 116.17 2gdt n ASP 82 Ca 0.17 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.55 2gdt n ASP 82 Cb 0.29 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 0.28 0.00 0.00 0.27 0.00 -1.24 -4.78 105.19 99.71 2gdt n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.49 0.00 -0.12 -0.61 5.41 -1.26 -1.20 119.36 120.09 2gdt n ILE 84 Ca 0.00 0.36 -0.18 0.00 1.00 0.00 0.00 62.75 63.93 2gdt n ILE 84 Cb 0.23 -0.49 -0.11 0.00 -0.71 0.00 0.00 39.64 38.56 2gdt n ILE 84 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2gdt n GLN 85 N -2.09 0.61 0.08 0.38 -0.06 -1.26 -4.68 117.38 110.36 2gdt n GLN 85 Ca 0.00 0.15 -0.12 0.00 -2.00 0.00 0.00 57.00 55.03 2gdt n GLN 85 Cb 0.00 -1.48 -0.13 0.00 -4.06 0.00 0.00 30.24 24.56 2gdt n GLN 85 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 2gdt h TYR 86 N -0.10 0.29 -4.12 3.69 0.05 -1.78 -3.40 116.97 111.60 2gdt h TYR 86 Ca -0.56 -0.21 -0.55 0.00 0.05 0.00 0.00 58.73 57.46 2gdt h TYR 86 Cb 1.82 -0.01 0.15 0.00 1.01 0.00 0.00 36.73 39.70 2gdt h TYR 86 CO 0.02 1.17 0.49 0.20 -1.05 0.00 0.00 178.16 178.99 2gdt s GLY 87 N -4.71 2.75 0.00 3.88 0.00 -0.34 -2.76 107.32 106.14 2gdt s GLY 87 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2gdt s GLY 87 CO 0.86 1.54 0.00 -2.13 0.00 0.00 0.00 173.10 173.37 2gdt n ARG 88 N -1.99 0.00 -2.81 2.90 3.00 -1.26 -4.94 116.66 111.55 2gdt n ARG 88 Ca 0.15 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.59 2gdt n ARG 88 Cb 0.49 -2.76 -0.03 0.00 0.00 0.00 0.00 32.46 30.15 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 -1.07 7.23 0.00 6.15 0.01 -1.11 -4.97 113.70 119.94 2gdt s SER 89 Ca 0.00 1.50 0.24 0.00 1.31 0.00 0.00 55.95 59.00 2gdt s SER 89 Cb 0.00 -2.52 1.09 0.00 0.21 0.00 0.00 66.02 64.80 2gdt s SER 89 CO 0.00 -0.24 1.78 0.61 0.41 0.00 0.00 173.24 175.80 2gdt n GLY 90 N 3.00 -1.25 0.37 3.44 0.00 -1.26 -1.31 105.19 108.19 2gdt n GLY 90 Ca 0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.81 -3.37 -0.61 2.10 -1.93 -3.42 117.51 111.10 2gdt h ILE 91 Ca 0.00 -0.25 -0.57 0.00 1.08 0.00 0.00 64.86 65.12 2gdt h ILE 91 Cb 0.35 0.01 -0.07 0.00 -1.09 0.00 0.00 36.82 36.03 2gdt h ILE 91 CO 0.00 0.13 0.11 -0.89 -1.08 0.00 0.00 178.15 176.42 2gdt s THR 92 N -5.73 5.03 -0.21 2.19 2.01 -0.42 -2.26 115.64 116.24 2gdt s THR 92 Ca -0.10 1.35 -0.08 0.00 0.31 0.00 0.00 61.69 63.17 2gdt s THR 92 Cb 0.23 -4.00 -0.19 0.00 0.01 0.00 0.00 72.50 68.54 2gdt s THR 92 CO 0.79 0.19 -0.00 0.18 -0.69 0.00 0.00 174.62 175.09 2gdt n LEU 93 N 4.29 2.49 0.00 4.42 4.77 0.45 -4.89 117.00 128.53 2gdt n LEU 93 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2gdt n LEU 93 Cb 0.51 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2gdt n LEU 93 CO 0.46 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2gdt n GLY 94 N 1.84 1.98 3.38 -0.72 0.00 -1.25 -3.51 105.19 106.92 2gdt n GLY 94 Ca -0.41 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.87 2.55 0.24 1.61 1.01 -0.19 -1.49 120.40 121.26 2gdt s VAL 95 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2gdt s VAL 95 Cb 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2gdt s VAL 95 CO 0.00 0.58 0.63 -0.76 0.00 0.00 0.00 175.10 175.55 2gdt s LEU 96 N -0.57 4.19 0.16 3.92 1.02 0.47 -0.45 118.68 127.43 2gdt s LEU 96 Ca 0.08 1.13 -0.19 0.00 0.02 0.00 0.00 54.13 55.18 2gdt s LEU 96 Cb -0.11 -3.71 0.04 0.00 0.02 0.00 0.00 46.19 42.44 2gdt s LEU 96 CO 0.00 -0.06 0.51 0.68 0.02 0.00 0.00 176.35 177.50 2gdt s VAL 97 N -1.76 0.03 0.30 -1.59 -7.23 -0.55 -4.59 120.40 105.02 2gdt s VAL 97 Ca 0.47 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.91 2gdt s VAL 97 Cb -0.12 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.48 2gdt s VAL 97 CO 0.19 -0.15 1.33 -2.16 -0.31 0.00 0.00 175.10 174.00 2gdt s PRO 98 N -3.81 4.35 -0.17 4.82 0.04 -1.26 -0.20 135.00 138.77 2gdt s PRO 98 Ca 0.04 2.20 -0.22 0.00 0.04 0.00 0.00 61.00 63.06 2gdt s PRO 98 Cb -0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2gdt s PRO 98 CO -0.09 -0.23 0.66 -1.58 0.04 0.00 0.00 177.00 175.80 2gdt s HIS 99 N -0.75 3.42 -0.31 0.56 2.46 -0.04 -4.43 115.29 116.20 2gdt s HIS 99 Ca 0.52 1.03 0.07 0.00 0.47 0.00 0.00 55.06 57.14 2gdt s HIS 99 Cb -0.39 -2.82 0.46 0.00 -0.13 0.00 0.00 32.58 29.69 2gdt s HIS 99 CO 0.49 -0.12 1.27 1.33 -2.47 0.00 0.00 174.74 175.24 2gdt n VAL 100 N 4.48 2.60 -0.63 0.89 0.24 -1.26 -4.52 118.33 120.12 2gdt n VAL 100 Ca -0.01 -4.00 0.00 0.00 -2.04 0.00 0.00 64.34 58.29 2gdt n VAL 100 Cb 0.50 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 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 -0.77 1.23 0.00 7.63 0.00 -1.26 -4.97 105.19 107.05 2gdt n GLY 101 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 0.00 -3.15 1.61 -0.58 -1.26 -4.88 120.64 110.38 2gdt n GLU 102 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2gdt n GLU 102 Cb 0.00 -0.40 -0.00 0.00 -0.57 0.00 0.00 31.44 30.46 2gdt n GLU 102 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2gdt s THR 103 N 0.00 -0.69 0.70 2.62 2.01 -1.26 -5.16 115.64 113.86 2gdt s THR 103 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2gdt s THR 103 Cb 0.00 -0.81 0.05 0.00 0.01 0.00 0.00 72.50 71.76 2gdt s THR 103 CO 0.00 0.00 1.02 -2.16 -0.69 0.00 0.00 174.62 172.79 2gdt s PRO 104 N 2.89 2.29 0.00 4.92 0.04 -1.26 -4.20 135.00 139.68 2gdt s PRO 104 Ca 0.15 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2gdt s PRO 104 Cb -0.09 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2gdt s PRO 104 CO -0.22 -1.19 0.00 0.44 0.04 0.00 0.00 177.00 176.07 2gdt n ILE 105 N -2.91 0.00 -3.82 0.56 -0.00 -0.56 -4.99 119.36 107.64 2gdt n ILE 105 Ca 0.08 -0.14 -0.09 0.00 -0.00 0.00 0.00 62.75 62.59 2gdt n ILE 105 Cb 0.60 1.00 0.02 0.00 -0.00 0.00 0.00 39.64 41.26 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gdt s ALA 106 N -0.28 -0.67 -0.02 -1.28 0.00 -1.23 -5.03 121.76 113.25 2gdt s ALA 106 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2gdt s ALA 106 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2gdt s ALA 106 CO 0.00 -0.98 -0.07 0.71 0.00 0.00 0.00 175.76 175.42 2gdt s TYR 107 N -2.37 0.73 -0.06 0.00 1.51 -1.26 -0.31 117.35 115.59 2gdt s TYR 107 Ca 0.16 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 2gdt s TYR 107 Cb -0.05 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.26 2gdt s TYR 107 CO 0.12 -0.07 -0.19 0.50 -1.11 0.00 0.00 175.55 174.79 2gdt s ARG 108 N 0.16 2.61 -0.08 -0.62 6.06 0.15 -4.90 118.95 122.33 2gdt s ARG 108 Ca -0.02 -0.80 0.04 0.00 -2.50 0.00 0.00 55.73 52.46 2gdt s ARG 108 Cb -0.07 -2.30 -0.01 0.00 0.06 0.00 0.00 34.95 32.63 2gdt s ARG 108 CO -0.00 0.46 -0.22 0.54 -2.50 0.00 0.00 175.30 173.58 2gdt s ASN 109 N -0.34 3.27 0.25 -2.12 2.20 -1.26 -0.74 114.94 116.19 2gdt s ASN 109 Ca 0.02 -0.49 -0.09 0.00 -0.94 0.00 0.00 52.86 51.37 2gdt s ASN 109 Cb -0.12 -1.18 -0.01 0.00 -2.00 0.00 0.00 41.25 37.93 2gdt s ASN 109 CO 0.02 0.20 0.39 0.68 -2.94 0.00 0.00 177.10 175.46 2gdt s VAL 110 N 0.08 0.00 0.51 3.54 -7.23 -0.39 -5.02 120.40 111.89 2gdt s VAL 110 Ca -0.10 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 58.56 2gdt s VAL 110 Cb -0.16 -2.33 0.04 0.00 0.56 0.00 0.00 36.38 34.49 2gdt s VAL 110 CO 0.06 0.00 0.51 -0.76 -0.31 0.00 0.00 175.10 174.60 2gdt s LEU 111 N -3.08 3.03 -0.03 1.32 2.01 -1.26 -0.74 118.68 119.93 2gdt s LEU 111 Ca 0.28 -0.97 0.00 0.00 0.01 0.00 0.00 54.13 53.44 2gdt s LEU 111 Cb 0.01 -1.60 0.03 0.00 0.01 0.00 0.00 46.19 44.64 2gdt s LEU 111 CO 0.11 -1.04 0.01 -0.22 1.01 0.00 0.00 176.35 176.22 2gdt s LEU 112 N -4.35 1.08 -0.74 1.79 0.20 0.11 -2.88 118.68 113.90 2gdt s LEU 112 Ca 0.46 -0.02 -0.26 0.00 0.69 0.00 0.00 54.13 55.01 2gdt s LEU 112 Cb -0.04 -0.22 -0.09 0.00 -0.43 0.00 0.00 46.19 45.42 2gdt s LEU 112 CO 0.28 -0.11 2.25 -0.13 -0.29 0.00 0.00 176.35 178.34 2gdt s ARG 113 N 1.12 2.02 -0.32 1.98 0.52 -1.26 -1.84 118.95 121.18 2gdt s ARG 113 Ca -0.08 0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.56 2gdt s ARG 113 Cb -0.13 -4.77 0.03 0.00 0.52 0.00 0.00 34.95 30.59 2gdt s ARG 113 CO -0.02 -3.79 0.10 0.15 0.02 0.00 0.00 175.30 171.75 2gdt s LYS 114 N 8.14 2.84 0.21 3.54 1.02 -1.26 -4.97 119.74 129.27 2gdt s LYS 114 Ca 0.86 -1.03 -0.07 0.00 0.02 0.00 0.00 55.97 55.75 2gdt s LYS 114 Cb -0.12 -3.43 0.16 0.00 -0.52 0.00 0.00 37.83 33.92 2gdt s LYS 114 CO 0.11 -0.57 1.68 -0.97 -0.92 0.00 0.00 175.35 174.69 2gdt h ASN 115 N 8.24 0.96 0.00 2.83 -0.73 -2.01 -3.34 115.58 121.52 2gdt h ASN 115 Ca -0.27 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2gdt h ASN 115 Cb 1.10 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.44 2gdt h ASN 115 CO 0.61 1.01 0.00 0.61 -0.37 0.00 0.00 177.43 179.29