#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 -3.49 -3.89 1.61 -0.00 -1.26 -4.92 115.22 103.28 2gdt n HIS 2 Ca 0.00 1.87 -0.36 0.00 -0.00 0.00 0.00 57.72 59.24 2gdt n HIS 2 Cb 0.00 -3.17 -0.13 0.00 -0.00 0.00 0.00 29.99 26.69 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 -3.62 4.06 -0.15 1.59 1.01 0.23 -4.85 120.40 118.67 2gdt s VAL 3 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2gdt s VAL 3 Cb 0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2gdt s VAL 3 CO 0.00 0.39 1.47 -1.58 0.00 0.00 0.00 175.10 175.37 2gdt s GLN 4 N 1.36 4.11 -0.02 2.72 0.74 -1.26 -0.18 119.66 127.11 2gdt s GLN 4 Ca 0.05 1.81 0.03 0.00 0.05 0.00 0.00 55.36 57.30 2gdt s GLN 4 Cb -0.15 -3.90 -0.03 0.00 1.10 0.00 0.00 33.01 30.03 2gdt s GLN 4 CO 0.02 -0.90 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.25 2gdt s LEU 5 N 4.08 3.00 -0.07 3.68 1.43 0.52 -4.97 118.68 126.35 2gdt s LEU 5 Ca 0.64 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 2gdt s LEU 5 Cb -0.26 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2gdt s LEU 5 CO 0.23 0.32 -0.10 -0.44 0.23 0.00 0.00 176.35 176.59 2gdt s SER 6 N -1.08 1.64 0.08 2.29 0.01 -1.26 -0.82 113.70 114.55 2gdt s SER 6 Ca 0.14 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.20 2gdt s SER 6 Cb -0.11 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 2gdt s SER 6 CO 0.04 0.00 -0.17 -0.76 0.41 0.00 0.00 173.24 172.76 2gdt s LEU 7 N 0.81 2.27 0.74 2.44 1.43 0.21 -4.99 118.68 121.59 2gdt s LEU 7 Ca -0.12 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2gdt s LEU 7 Cb -0.15 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.40 2gdt s LEU 7 CO 0.02 0.00 1.08 -2.16 0.23 0.00 0.00 176.35 175.53 2gdt s PRO 8 N -1.72 2.50 -0.18 1.29 0.04 -1.26 -0.71 135.00 134.96 2gdt s PRO 8 Ca 0.02 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2gdt s PRO 8 Cb -0.10 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2gdt s PRO 8 CO 0.03 -1.45 -0.18 0.08 0.04 0.00 0.00 177.00 175.52 2gdt s VAL 9 N -2.88 2.27 0.05 -0.36 1.01 0.52 -0.45 120.40 120.56 2gdt s VAL 9 Ca 0.61 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2gdt s VAL 9 Cb -0.17 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2gdt s VAL 9 CO 0.54 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 175.34 2gdt s LEU 10 N 1.28 3.20 0.48 3.92 1.43 -0.35 -1.16 118.68 127.48 2gdt s LEU 10 Ca 0.04 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 2gdt s LEU 10 Cb -0.13 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.11 2gdt s LEU 10 CO -0.11 0.23 1.21 -1.10 0.23 0.00 0.00 176.35 176.81 2gdt s GLN 11 N -1.84 3.60 0.53 1.70 -0.21 -1.26 -4.52 119.66 117.66 2gdt s GLN 11 Ca 0.20 1.88 0.21 0.00 0.02 0.00 0.00 55.36 57.68 2gdt s GLN 11 Cb -0.11 -2.36 1.43 0.00 1.00 0.00 0.00 33.01 32.97 2gdt s GLN 11 CO 0.12 -0.71 2.16 -0.24 -2.12 0.00 0.00 175.29 174.49 2gdt h VAL 12 N 1.76 0.82 -0.45 1.09 3.04 -1.94 -1.25 116.25 119.32 2gdt h VAL 12 Ca -0.50 -0.15 -0.10 0.00 -1.01 0.00 0.00 66.70 64.95 2gdt h VAL 12 Cb 1.26 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.61 2gdt h VAL 12 CO 0.59 0.04 -0.12 0.08 -1.01 0.00 0.00 177.57 177.15 2gdt h ARG 13 N 0.00 0.82 0.00 4.17 0.11 -1.95 -3.23 114.38 114.31 2gdt h ARG 13 Ca -0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 59.98 59.76 2gdt h ARG 13 Cb 0.08 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2gdt h ARG 13 CO 0.01 0.91 -0.17 -0.44 0.10 0.00 0.00 179.97 180.37 2gdt h ASP 14 N 0.74 0.00 0.00 0.08 5.19 -1.60 -3.37 116.42 117.46 2gdt h ASP 14 Ca 0.12 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.96 2gdt h ASP 14 Cb 0.62 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.15 2gdt h ASP 14 CO 0.04 0.17 3.26 0.52 -3.12 0.00 0.00 179.24 180.12 2gdt n VAL 15 N -3.17 3.43 -0.55 -1.35 0.31 -1.16 -4.79 118.33 111.05 2gdt n VAL 15 Ca 0.03 -2.18 0.45 0.00 -0.01 0.00 0.00 64.34 62.63 2gdt n VAL 15 Cb 0.56 -2.43 0.77 0.00 -0.91 0.00 0.00 33.84 31.83 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 8.23 0.05 -7.81 7.52 3.38 -1.86 -3.18 115.31 121.65 2gdt h LEU 16 Ca 0.69 0.03 -0.62 0.00 0.09 0.00 0.00 57.88 58.06 2gdt h LEU 16 Cb 0.30 0.02 -0.37 0.00 0.09 0.00 0.00 40.66 40.71 2gdt h LEU 16 CO 1.70 -0.03 -0.81 0.68 0.09 0.00 0.00 178.44 180.06 2gdt s VAL 17 N -4.98 1.66 -0.40 1.22 -7.23 -1.26 -5.03 120.40 104.38 2gdt s VAL 17 Ca -0.06 -0.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 2gdt s VAL 17 Cb 0.26 -1.71 0.46 0.00 0.56 0.00 0.00 36.38 35.96 2gdt s VAL 17 CO 0.86 0.21 1.47 -2.11 -0.31 0.00 0.00 175.10 175.21 2gdt n ARG 18 N 4.69 3.16 -3.22 4.82 1.85 -1.20 -4.65 116.66 122.10 2gdt n ARG 18 Ca -0.15 -3.81 -0.06 0.00 -1.00 0.00 0.00 57.85 52.83 2gdt n ARG 18 Cb 0.47 -2.23 -0.03 0.00 -1.05 0.00 0.00 32.46 29.61 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2gdt s GLY 19 N -2.97 -0.78 0.42 2.89 0.00 -1.26 -3.24 107.32 102.38 2gdt s GLY 19 Ca 0.55 -0.32 0.26 0.00 0.00 0.00 0.00 44.72 45.20 2gdt s GLY 19 CO 0.02 3.32 1.66 0.74 0.00 0.00 0.00 173.10 178.83 2gdt h PHE 20 N 6.78 0.59 0.00 1.90 0.04 -1.87 -2.83 116.94 121.55 2gdt h PHE 20 Ca 0.06 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 2gdt h PHE 20 Cb 1.12 -0.15 -0.09 0.00 2.20 0.00 0.00 35.95 39.03 2gdt h PHE 20 CO 0.21 -0.15 -0.32 0.41 -0.60 0.00 0.00 178.31 177.86 2gdt n GLY 21 N -1.49 0.76 4.61 -1.45 0.00 -1.26 -4.85 105.19 101.52 2gdt n GLY 21 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.07 0.00 -4.63 1.61 -0.08 -1.07 -4.62 116.55 107.83 2gdt n ASP 22 Ca -0.08 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.96 2gdt n ASP 22 Cb 0.68 -0.43 -0.08 0.00 2.34 0.00 0.00 41.12 43.63 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2gdt s SER 23 N -1.26 4.30 0.03 1.67 0.01 -1.26 -4.57 113.70 112.62 2gdt s SER 23 Ca 0.00 -0.86 -0.28 0.00 1.31 0.00 0.00 55.95 56.12 2gdt s SER 23 Cb 0.00 -0.63 -0.17 0.00 0.21 0.00 0.00 66.02 65.43 2gdt s SER 23 CO 0.00 -0.14 1.32 0.58 0.41 0.00 0.00 173.24 175.40 2gdt h VAL 24 N 1.85 0.36 -0.71 3.43 2.07 -1.90 0.11 116.25 121.46 2gdt h VAL 24 Ca -0.43 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2gdt h VAL 24 Cb 1.25 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2gdt h VAL 24 CO 0.64 0.04 0.27 -0.33 0.02 0.00 0.00 177.57 178.20 2gdt h GLU 25 N -0.96 1.06 0.49 1.57 5.08 -1.96 -0.59 114.58 119.26 2gdt h GLU 25 Ca -0.08 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2gdt h GLU 25 Cb 0.63 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2gdt h GLU 25 CO 0.12 0.87 -0.35 0.93 -1.00 0.00 0.00 179.01 179.59 2gdt h GLU 26 N 1.03 -0.78 -0.97 2.33 4.39 -1.85 -1.20 114.58 117.52 2gdt h GLU 26 Ca 0.24 0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.01 2gdt h GLU 26 Cb 0.22 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2gdt h GLU 26 CO -0.02 -0.52 0.64 0.00 -1.16 0.00 0.00 179.01 177.95 2gdt h ALA 27 N -0.41 1.26 -0.20 3.43 0.00 -0.27 0.24 119.26 123.31 2gdt h ALA 27 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2gdt h ALA 27 Cb 0.68 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2gdt h ALA 27 CO 0.02 0.58 0.00 1.25 0.00 0.00 0.00 179.25 181.10 2gdt h LEU 28 N 1.28 -0.07 0.73 0.00 6.46 -1.03 0.45 115.31 123.13 2gdt h LEU 28 Ca 0.37 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 58.14 2gdt h LEU 28 Cb -0.09 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2gdt h LEU 28 CO -0.10 -0.01 -0.37 -1.28 -0.62 0.00 0.00 178.44 176.06 2gdt h SER 29 N 0.06 -0.90 -0.93 1.25 0.87 0.14 -2.07 113.55 111.98 2gdt h SER 29 Ca 0.09 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2gdt h SER 29 Cb 0.11 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2gdt h SER 29 CO -0.16 -0.62 0.55 -0.33 -0.53 0.00 0.00 176.83 175.75 2gdt h GLU 30 N -1.01 1.27 -0.30 2.24 4.39 -0.61 -2.73 114.58 117.82 2gdt h GLU 30 Ca -0.10 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.50 2gdt h GLU 30 Cb 0.79 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2gdt h GLU 30 CO 0.15 0.89 0.14 0.00 -1.16 0.00 0.00 179.01 179.03 2gdt h ALA 31 N 1.30 0.36 -0.13 3.43 0.00 -0.77 0.25 119.26 123.71 2gdt h ALA 31 Ca 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2gdt h ALA 31 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2gdt h ALA 31 CO -0.06 -0.24 -0.04 0.07 0.00 0.00 0.00 179.25 178.97 2gdt h ARG 32 N 0.30 0.18 -0.03 0.00 0.11 -1.13 -0.38 114.38 113.43 2gdt h ARG 32 Ca 0.13 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.16 2gdt h ARG 32 Cb 0.05 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.10 2gdt h ARG 32 CO -0.09 0.24 -0.06 0.93 0.10 0.00 0.00 179.97 181.10 2gdt h GLU 33 N 0.18 0.09 -0.19 0.08 4.39 -1.02 -3.12 114.58 114.99 2gdt h GLU 33 Ca 0.04 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2gdt h GLU 33 Cb 0.20 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2gdt h GLU 33 CO 0.01 0.63 -0.25 0.45 -1.16 0.00 0.00 179.01 178.69 2gdt h HIS 34 N -0.45 0.37 0.08 4.33 3.86 0.06 0.61 115.15 124.03 2gdt h HIS 34 Ca 0.00 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2gdt h HIS 34 Cb 0.63 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.96 2gdt h HIS 34 CO 0.12 0.57 -0.41 -0.07 0.86 0.00 0.00 177.93 179.00 2gdt h LEU 35 N 0.30 -1.21 -0.41 2.43 3.38 -1.18 0.12 115.31 118.75 2gdt h LEU 35 Ca 0.05 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2gdt h LEU 35 Cb 0.61 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2gdt h LEU 35 CO 0.04 -0.47 0.25 0.50 0.09 0.00 0.00 178.44 178.86 2gdt h LYS 36 N -0.62 0.50 0.00 1.13 3.11 -1.29 -2.19 116.57 117.21 2gdt h LYS 36 Ca 0.03 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2gdt h LYS 36 Cb 0.66 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2gdt h LYS 36 CO -0.26 0.33 0.00 -0.91 -2.81 0.00 0.00 179.45 175.80 2gdt h ASN 37 N 0.52 0.00 0.00 4.20 2.35 -0.74 -3.46 115.58 118.44 2gdt h ASN 37 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2gdt h ASN 37 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2gdt h ASN 37 CO -0.05 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.34 2gdt n GLY 38 N -0.50 1.15 1.91 2.83 0.00 -0.34 -4.96 105.19 105.28 2gdt n GLY 38 Ca -0.01 0.00 -0.17 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 -2.00 2.80 -4.26 2.61 -2.24 0.26 -4.85 114.28 106.59 2gdt n THR 39 Ca 0.00 -1.69 -0.22 0.00 -2.27 0.00 0.00 64.05 59.87 2gdt n THR 39 Cb 0.00 -1.33 -0.12 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.78 1.54 0.08 0.00 0.00 0.53 -4.24 107.32 103.45 2gdt s GLY 41 Ca 0.03 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 43.01 2gdt s GLY 41 CO 0.03 -1.51 0.13 -2.27 0.00 0.00 0.00 173.10 169.49 2gdt s LEU 42 N -3.23 4.02 -0.09 0.66 2.96 0.40 -1.23 118.68 122.17 2gdt s LEU 42 Ca 0.36 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 2gdt s LEU 42 Cb 0.07 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 44.11 2gdt s LEU 42 CO 0.12 0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.46 2gdt s VAL 43 N -1.46 1.49 0.08 1.68 1.01 0.74 -1.21 120.40 122.73 2gdt s VAL 43 Ca 0.32 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2gdt s VAL 43 Cb -0.12 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2gdt s VAL 43 CO 0.24 0.44 1.07 -1.61 0.00 0.00 0.00 175.10 175.24 2gdt s GLU 44 N 0.76 4.55 0.02 2.72 2.02 -1.26 -0.68 118.70 126.83 2gdt s GLU 44 Ca -0.12 1.60 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 2gdt s GLU 44 Cb -0.16 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.65 2gdt s GLU 44 CO 0.02 -0.03 1.36 -0.51 0.02 0.00 0.00 175.26 176.12 2gdt s LEU 45 N 0.50 4.33 0.17 1.80 1.43 -1.26 -4.90 118.68 120.74 2gdt s LEU 45 Ca 0.52 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.72 2gdt s LEU 45 Cb -0.26 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 2gdt s LEU 45 CO 0.30 -0.68 0.12 -1.61 0.23 0.00 0.00 176.35 174.72 2gdt s GLU 46 N 2.06 1.09 0.21 1.70 0.41 -1.26 -5.04 118.70 117.87 2gdt s GLU 46 Ca 0.63 -1.50 -0.09 0.00 -0.41 0.00 0.00 54.97 53.59 2gdt s GLU 46 Cb -0.32 0.27 0.27 0.00 -1.78 0.00 0.00 34.13 32.58 2gdt s GLU 46 CO 0.27 -0.35 1.76 -0.22 -0.49 0.00 0.00 175.26 176.24 2gdt h LYS 47 N 2.71 0.48 -0.05 1.61 3.64 -2.05 -2.48 116.57 120.42 2gdt h LYS 47 Ca -0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2gdt h LYS 47 Cb 1.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2gdt h LYS 47 CO 0.55 0.32 0.00 0.41 -2.27 0.00 0.00 179.45 178.45 2gdt n GLY 48 N -1.29 -0.19 0.06 5.01 0.00 -1.26 -4.34 105.19 103.18 2gdt n GLY 48 Ca 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 1.68 0.47 -0.78 1.61 2.07 -1.80 -3.23 116.25 116.27 2gdt h VAL 49 Ca 0.00 -1.37 0.15 0.00 0.82 0.00 0.00 66.70 66.30 2gdt h VAL 49 Cb 0.36 0.91 -0.15 0.00 -1.52 0.00 0.00 31.29 30.89 2gdt h VAL 49 CO 0.00 0.16 -0.21 -0.07 0.02 0.00 0.00 177.57 177.47 2gdt h LEU 50 N -1.00 -0.77 0.00 2.57 3.38 -1.76 0.13 115.31 117.86 2gdt h LEU 50 Ca -0.01 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2gdt h LEU 50 Cb 0.34 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2gdt h LEU 50 CO -0.01 -0.26 0.00 -0.81 0.09 0.00 0.00 178.44 177.45 2gdt n PRO 51 N -5.51 0.18 0.08 1.13 -0.04 -1.26 -2.24 135.00 127.34 2gdt n PRO 51 Ca 0.11 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2gdt n PRO 51 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.39 0.61 -1.88 0.54 6.02 0.34 -4.95 117.38 116.68 2gdt n GLN 52 Ca 0.09 0.14 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 2gdt n GLN 52 Cb 0.24 -1.81 0.17 0.00 1.02 0.00 0.00 30.24 29.86 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 -5.44 2.57 0.00 1.08 1.02 -0.62 -4.98 118.68 112.31 2gdt s LEU 53 Ca -0.01 0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.53 2gdt s LEU 53 Cb 0.09 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.79 2gdt s LEU 53 CO 0.80 -2.63 0.02 -0.62 0.02 0.00 0.00 176.35 173.94 2gdt n GLU 54 N -3.73 0.00 0.16 1.70 -0.58 -1.20 -5.01 120.64 111.98 2gdt n GLU 54 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2gdt n GLU 54 Cb 0.60 -0.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.25 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2gdt n GLN 55 N -0.16 0.00 -2.19 3.49 1.13 -1.26 -5.02 117.38 113.36 2gdt n GLN 55 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 2gdt n GLN 55 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 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 2.81 -0.64 -1.09 0.04 -1.26 -4.58 135.00 128.28 2gdt s PRO 56 Ca 0.00 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.92 2gdt s PRO 56 Cb 0.00 -4.55 0.05 0.00 0.04 0.00 0.00 34.50 30.04 2gdt s PRO 56 CO 0.00 -2.69 1.01 0.71 0.04 0.00 0.00 177.00 176.06 2gdt s TYR 57 N 8.24 2.65 -1.00 0.56 2.02 -0.90 -4.76 117.35 124.16 2gdt s TYR 57 Ca 0.59 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.76 2gdt s TYR 57 Cb -0.09 -4.28 0.02 0.00 -0.40 0.00 0.00 41.96 37.21 2gdt s TYR 57 CO 0.13 -1.62 1.62 0.08 -1.57 0.00 0.00 175.55 174.19 2gdt s VAL 58 N 4.29 3.78 0.82 0.71 1.01 -1.26 -3.06 120.40 126.70 2gdt s VAL 58 Ca 0.27 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2gdt s VAL 58 Cb -0.14 -4.74 0.09 0.00 0.00 0.00 0.00 36.38 31.58 2gdt s VAL 58 CO 0.14 -1.63 1.17 -0.36 0.00 0.00 0.00 175.10 174.42 2gdt s PHE 59 N 6.60 2.91 -0.07 5.22 0.08 -0.66 -0.30 117.98 131.76 2gdt s PHE 59 Ca 0.54 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.36 2gdt s PHE 59 Cb -0.02 -3.48 0.02 0.00 -0.57 0.00 0.00 43.02 38.98 2gdt s PHE 59 CO -0.06 -1.84 -0.06 0.96 -0.10 0.00 0.00 175.22 174.13 2gdt s ILE 60 N -3.54 0.73 0.11 0.64 -4.36 -0.79 -1.42 121.20 112.57 2gdt s ILE 60 Ca 0.62 -0.17 0.09 0.00 -0.26 0.00 0.00 60.65 60.93 2gdt s ILE 60 Cb -0.11 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 2gdt s ILE 60 CO 0.50 0.29 -0.23 -1.59 0.24 0.00 0.00 174.94 174.15 2gdt s LYS 61 N 1.30 1.25 0.00 0.37 -2.85 -1.20 -0.66 119.74 117.95 2gdt s LYS 61 Ca -0.04 -1.21 -0.02 0.00 -1.00 0.00 0.00 55.97 53.70 2gdt s LYS 61 Cb -0.14 -1.58 -0.10 0.00 -2.06 0.00 0.00 37.83 33.95 2gdt s LYS 61 CO -0.02 0.37 1.85 2.89 0.10 0.00 0.00 175.35 180.54 2gdt n ARG 62 N 1.10 0.91 -0.57 1.78 1.85 -0.81 -1.24 116.66 119.68 2gdt n ARG 62 Ca -0.19 -0.39 0.08 0.00 -1.00 0.00 0.00 57.85 56.35 2gdt n ARG 62 Cb 0.53 -1.63 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 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 2.48 -4.71 0.00 2.89 2.88 -1.26 -4.68 113.62 111.23 2gdt n SER 63 Ca 0.17 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 2gdt n SER 63 Cb 0.42 -1.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 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 -4.03 0.41 -2.71 -3.46 -0.08 -1.26 -4.87 116.55 100.55 2gdt n ASP 64 Ca 0.00 -1.09 -0.22 0.00 -1.51 0.00 0.00 54.79 51.97 2gdt n ASP 64 Cb 0.26 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.72 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 -0.05 4.24 -2.81 -1.67 0.00 -1.26 -4.99 120.51 113.98 2gdt n ALA 65 Ca 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 53.44 49.31 2gdt n ALA 65 Cb 0.24 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.30 0.84 -0.45 0.00 1.43 -1.26 -5.14 118.68 110.79 2gdt s LEU 66 Ca 0.43 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2gdt s LEU 66 Cb 0.38 1.36 0.22 0.00 0.03 0.00 0.00 46.19 48.17 2gdt s LEU 66 CO -0.11 -0.91 0.91 -1.54 0.23 0.00 0.00 176.35 174.93 2gdt n SER 67 N -0.22 -2.65 -3.88 2.29 3.41 -1.26 -5.08 113.62 106.23 2gdt n SER 67 Ca -0.09 -2.46 -0.20 0.00 -0.26 0.00 0.00 58.87 55.86 2gdt n SER 67 Cb 0.63 1.44 -0.09 0.00 -0.26 0.00 0.00 64.21 65.93 2gdt n SER 67 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2gdt s THR 68 N 0.76 0.31 0.00 6.66 -4.23 -1.26 -5.07 115.64 112.80 2gdt s THR 68 Ca 0.29 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2gdt s THR 68 Cb 0.11 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2gdt s THR 68 CO -0.12 0.00 0.95 -3.20 -0.54 0.00 0.00 174.62 171.72 2gdt n ASN 69 N -1.14 1.89 -3.56 3.99 2.85 -1.26 -5.02 115.26 113.01 2gdt n ASN 69 Ca 0.01 -1.90 -0.30 0.00 -0.11 0.00 0.00 54.58 52.27 2gdt n ASN 69 Cb 0.64 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.94 2gdt n ASN 69 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 2gdt s HIS 70 N -0.90 -0.37 -1.06 1.20 -3.43 -1.26 -4.83 115.29 104.63 2gdt s HIS 70 Ca 0.00 0.61 0.00 0.00 -0.80 0.00 0.00 55.06 54.87 2gdt s HIS 70 Cb 0.00 -2.97 0.00 0.00 -1.43 0.00 0.00 32.58 28.18 2gdt s HIS 70 CO 0.00 -4.81 0.93 0.41 -2.00 0.00 0.00 174.74 169.28 2gdt n GLY 71 N 1.11 -0.44 0.50 -1.38 0.00 -1.26 -4.60 105.19 99.12 2gdt n GLY 71 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.43 -0.07 -0.73 1.61 8.25 -1.26 -5.08 115.22 116.51 2gdt n HIS 72 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 2gdt n HIS 72 Cb 0.01 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2gdt n HIS 72 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2gdt n LYS 73 N -0.11 0.20 -0.96 -0.41 4.76 -1.26 -4.83 118.16 115.55 2gdt n LYS 73 Ca 0.00 -0.41 0.12 0.00 -2.87 0.00 0.00 58.31 55.15 2gdt n LYS 73 Cb 0.09 -0.64 -0.03 0.00 -1.84 0.00 0.00 35.03 32.61 2gdt n LYS 73 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2gdt n VAL 74 N -0.06 0.00 -4.06 -0.18 0.24 -1.26 -4.43 118.33 108.58 2gdt n VAL 74 Ca 0.00 0.07 -0.15 0.00 -2.04 0.00 0.00 64.34 62.22 2gdt n VAL 74 Cb 0.29 -0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 32.25 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 -3.01 0.00 -4.18 3.34 0.24 0.93 -4.21 118.33 111.44 2gdt n VAL 75 Ca -0.00 -1.78 -0.11 0.00 -2.04 0.00 0.00 64.34 60.40 2gdt n VAL 75 Cb 0.61 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.98 2gdt n VAL 75 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2gdt s GLU 76 N -2.79 1.06 0.43 7.34 -1.05 -0.37 -3.80 118.70 119.52 2gdt s GLU 76 Ca 0.29 -1.53 -0.22 0.00 -0.15 0.00 0.00 54.97 53.36 2gdt s GLU 76 Cb -0.01 0.21 -0.10 0.00 -0.44 0.00 0.00 34.13 33.79 2gdt s GLU 76 CO 0.21 -0.31 0.99 -0.51 0.95 0.00 0.00 175.26 176.59 2gdt s LEU 77 N -3.11 3.99 0.12 1.83 1.43 -1.26 -3.22 118.68 118.45 2gdt s LEU 77 Ca 0.31 1.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.13 2gdt s LEU 77 Cb 0.07 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.86 2gdt s LEU 77 CO 0.06 -0.47 0.27 -0.69 0.23 0.00 0.00 176.35 175.75 2gdt s VAL 78 N -1.98 0.10 -0.03 -1.59 1.01 -0.51 -4.93 120.40 112.47 2gdt s VAL 78 Ca 0.62 -1.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 2gdt s VAL 78 Cb -0.14 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2gdt s VAL 78 CO 0.18 -0.46 0.28 0.00 0.00 0.00 0.00 175.10 175.10 2gdt s ALA 79 N -3.89 -0.70 0.01 5.51 0.00 -1.26 -1.65 121.76 119.78 2gdt s ALA 79 Ca 0.09 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 2gdt s ALA 79 Cb 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2gdt s ALA 79 CO -0.07 -0.23 0.21 -1.21 0.00 0.00 0.00 175.76 174.46 2gdt s GLU 80 N -1.09 0.62 0.00 0.00 0.41 -1.17 -4.97 118.70 112.50 2gdt s GLU 80 Ca -0.12 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 2gdt s GLU 80 Cb -0.05 0.26 0.00 0.00 -1.78 0.00 0.00 34.13 32.56 2gdt s GLU 80 CO 0.03 -0.17 0.25 -0.12 -0.49 0.00 0.00 175.26 174.77 2gdt n MET 81 N 1.10 0.00 0.00 1.61 0.00 -1.26 -2.11 117.12 116.46 2gdt n MET 81 Ca -0.21 0.23 0.13 0.00 -0.00 0.00 0.00 57.70 57.86 2gdt n MET 81 Cb 0.57 -0.91 0.70 0.00 0.00 0.00 0.00 33.22 33.58 2gdt n MET 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2gdt n ASP 82 N -1.20 0.00 -0.31 6.12 9.92 -1.26 -4.19 116.55 125.63 2gdt n ASP 82 Ca 0.00 -0.26 -0.04 0.00 -0.53 0.00 0.00 54.79 53.96 2gdt n ASP 82 Cb 0.00 -0.22 -0.01 0.00 -0.64 0.00 0.00 41.12 40.25 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gdt n GLY 83 N 0.90 0.53 0.04 0.44 0.00 -1.25 -4.99 105.19 100.85 2gdt n GLY 83 Ca 0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.22 -0.07 -3.71 -0.61 -0.00 -1.26 -3.56 119.36 106.93 2gdt n ILE 84 Ca -0.04 0.71 -0.21 0.00 -0.00 0.00 0.00 62.75 63.21 2gdt n ILE 84 Cb 0.24 -0.92 -0.03 0.00 -0.00 0.00 0.00 39.64 38.93 2gdt n ILE 84 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2gdt s GLN 85 N -3.54 2.75 0.00 0.38 -1.52 -1.26 -4.74 119.66 111.72 2gdt s GLN 85 Ca -0.01 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 2gdt s GLN 85 Cb 0.01 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.29 2gdt s GLN 85 CO 0.06 0.04 0.00 0.66 -0.25 0.00 0.00 175.29 175.80 2gdt n TYR 86 N -1.44 0.00 -1.42 0.91 4.01 -1.26 -4.91 117.16 113.05 2gdt n TYR 86 Ca -0.01 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.23 2gdt n TYR 86 Cb 0.60 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.29 4.00 2.72 0.00 -1.23 -0.92 105.19 110.05 2gdt n GLY 87 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 46.02 46.69 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 8.16 -3.84 -2.96 1.61 0.00 -1.26 -5.01 116.66 113.36 2gdt n ARG 88 Ca 0.45 0.45 -0.30 0.00 -0.00 0.00 0.00 57.85 58.45 2gdt n ARG 88 Cb 0.19 -4.94 -0.03 0.00 0.00 0.00 0.00 32.46 27.67 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 -3.85 6.52 0.40 6.15 0.01 -0.10 -5.01 113.70 117.81 2gdt s SER 89 Ca 0.35 1.06 0.19 0.00 1.31 0.00 0.00 55.95 58.86 2gdt s SER 89 Cb -0.18 -2.29 0.80 0.00 0.21 0.00 0.00 66.02 64.56 2gdt s SER 89 CO 0.88 -0.35 1.80 1.23 0.41 0.00 0.00 173.24 177.21 2gdt h GLY 90 N 1.41 0.00 2.00 3.44 0.00 -1.95 -0.49 103.07 107.48 2gdt h GLY 90 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2gdt h GLY 90 CO 0.64 0.00 -0.10 1.19 0.00 0.00 0.00 176.54 178.27 2gdt h ILE 91 N 0.00 0.78 -3.27 2.60 2.10 -1.95 -3.44 117.51 114.33 2gdt h ILE 91 Ca -0.00 -0.40 -0.58 0.00 1.08 0.00 0.00 64.86 64.96 2gdt h ILE 91 Cb 0.77 1.23 -0.06 0.00 -1.09 0.00 0.00 36.82 37.68 2gdt h ILE 91 CO 0.04 0.10 -0.07 -0.89 -1.08 0.00 0.00 178.15 176.25 2gdt s THR 92 N -4.51 4.99 -0.10 2.19 2.01 -0.19 -1.92 115.64 118.10 2gdt s THR 92 Ca -0.04 1.12 -0.07 0.00 0.31 0.00 0.00 61.69 63.02 2gdt s THR 92 Cb 0.15 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2gdt s THR 92 CO 0.62 0.42 -0.13 -0.07 -0.69 0.00 0.00 174.62 174.77 2gdt h LEU 93 N 5.73 0.00 0.00 4.42 3.38 -1.16 -3.44 115.31 124.24 2gdt h LEU 93 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2gdt h LEU 93 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2gdt h LEU 93 CO 0.70 0.55 0.00 0.61 0.09 0.00 0.00 178.44 180.39 2gdt n GLY 94 N 1.66 3.69 3.46 0.83 0.00 -1.26 -4.29 105.19 109.29 2gdt n GLY 94 Ca -0.05 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.24 2.45 0.10 1.61 1.01 0.15 -1.89 120.40 121.59 2gdt s VAL 95 Ca 0.00 -2.34 0.07 0.00 0.00 0.00 0.00 61.98 59.71 2gdt s VAL 95 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2gdt s VAL 95 CO 0.00 -0.35 -0.11 -0.76 0.00 0.00 0.00 175.10 173.87 2gdt s LEU 96 N -3.37 2.98 0.14 3.92 1.43 0.59 -0.18 118.68 124.19 2gdt s LEU 96 Ca 0.28 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 2gdt s LEU 96 Cb -0.05 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2gdt s LEU 96 CO 0.14 0.18 0.34 0.68 0.23 0.00 0.00 176.35 177.92 2gdt s VAL 97 N -1.20 0.08 0.49 -1.59 -7.23 -0.36 -4.44 120.40 106.15 2gdt s VAL 97 Ca 0.21 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 59.20 2gdt s VAL 97 Cb -0.11 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.34 2gdt s VAL 97 CO 0.13 -0.37 1.32 -2.84 -0.31 0.00 0.00 175.10 173.03 2gdt s PRO 98 N -3.87 3.47 -0.28 4.82 0.02 -1.26 -0.35 135.00 137.56 2gdt s PRO 98 Ca 0.08 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 63.11 2gdt s PRO 98 Cb 0.03 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 2gdt s PRO 98 CO -0.08 -0.90 0.36 -1.58 -0.33 0.00 0.00 177.00 174.47 2gdt s HIS 99 N -1.33 3.24 -0.28 6.54 2.46 0.12 -4.26 115.29 121.78 2gdt s HIS 99 Ca 0.66 0.36 0.12 0.00 0.47 0.00 0.00 55.06 56.67 2gdt s HIS 99 Cb -0.38 -2.57 0.47 0.00 -0.13 0.00 0.00 32.58 29.97 2gdt s HIS 99 CO 0.47 -0.24 1.17 1.33 -2.47 0.00 0.00 174.74 174.99 2gdt n VAL 100 N 5.13 2.13 -0.96 0.89 0.24 -1.26 -4.39 118.33 120.11 2gdt n VAL 100 Ca -0.09 -3.78 0.00 0.00 -2.04 0.00 0.00 64.34 58.43 2gdt n VAL 100 Cb 0.51 -0.39 0.00 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 -0.68 0.76 0.00 7.63 0.00 -1.26 -5.00 105.19 106.64 2gdt n GLY 101 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.46 0.00 -3.13 1.61 -0.58 -1.26 -4.97 120.64 109.86 2gdt n GLU 102 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 2gdt n GLU 102 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -0.76 0.34 2.62 2.01 -1.26 -5.16 115.64 113.43 2gdt s THR 103 Ca 0.00 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 2gdt s THR 103 Cb 0.00 -0.52 -0.10 0.00 0.01 0.00 0.00 72.50 71.89 2gdt s THR 103 CO 0.00 0.00 0.94 -2.16 -0.69 0.00 0.00 174.62 172.71 2gdt s PRO 104 N 2.56 4.53 0.10 4.92 0.04 -1.26 -4.49 135.00 141.40 2gdt s PRO 104 Ca 0.16 1.30 0.23 0.00 0.04 0.00 0.00 61.00 62.73 2gdt s PRO 104 Cb -0.06 -2.71 0.12 0.00 0.04 0.00 0.00 34.50 31.89 2gdt s PRO 104 CO -0.20 0.24 1.10 0.44 0.04 0.00 0.00 177.00 178.62 2gdt n ILE 105 N 0.39 0.30 -3.84 0.56 -0.00 -0.31 -4.95 119.36 111.50 2gdt n ILE 105 Ca 0.03 -0.31 -0.06 0.00 -0.00 0.00 0.00 62.75 62.41 2gdt n ILE 105 Cb 0.51 -0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.17 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 -1.90 -2.26 -2.96 -1.28 0.00 -1.23 -5.02 120.51 105.85 2gdt n ALA 106 Ca 0.02 -1.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.14 2gdt n ALA 106 Cb 0.46 0.76 -0.15 0.00 0.00 0.00 0.00 19.45 20.52 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 -2.19 0.86 0.11 0.00 1.51 -1.26 -0.35 117.35 116.03 2gdt s TYR 107 Ca 0.20 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 2gdt s TYR 107 Cb -0.04 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2gdt s TYR 107 CO 0.08 -0.08 -0.12 0.50 -1.11 0.00 0.00 175.55 174.83 2gdt s ARG 108 N 0.12 2.04 0.04 -0.62 6.06 0.11 -4.93 118.95 121.76 2gdt s ARG 108 Ca -0.02 -1.07 0.06 0.00 -2.50 0.00 0.00 55.73 52.20 2gdt s ARG 108 Cb -0.07 -2.25 -0.02 0.00 0.06 0.00 0.00 34.95 32.66 2gdt s ARG 108 CO 0.00 0.50 -0.18 -0.80 -2.50 0.00 0.00 175.30 172.32 2gdt s ASN 109 N -2.22 2.10 0.17 -2.12 -0.87 -1.26 -0.62 114.94 110.11 2gdt s ASN 109 Ca 0.21 -0.47 -0.03 0.00 -1.57 0.00 0.00 52.86 50.99 2gdt s ASN 109 Cb -0.11 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.25 40.92 2gdt s ASN 109 CO 0.13 0.12 0.14 0.68 -2.57 0.00 0.00 177.10 175.60 2gdt s VAL 110 N -0.77 0.06 0.28 1.60 -7.23 0.00 -5.00 120.40 109.33 2gdt s VAL 110 Ca 0.05 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.46 2gdt s VAL 110 Cb -0.08 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2gdt s VAL 110 CO 0.01 -0.26 0.34 -0.76 -0.31 0.00 0.00 175.10 174.12 2gdt s LEU 111 N -3.07 4.01 -0.02 1.32 2.01 -1.26 -0.35 118.68 121.32 2gdt s LEU 111 Ca 0.28 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.26 2gdt s LEU 111 Cb 0.06 -2.61 0.02 0.00 0.01 0.00 0.00 46.19 43.67 2gdt s LEU 111 CO 0.05 -0.19 0.01 -0.22 1.01 0.00 0.00 176.35 177.01 2gdt s LEU 112 N -4.00 1.39 -0.32 1.79 1.98 0.74 -0.05 118.68 120.22 2gdt s LEU 112 Ca 0.37 0.01 -0.36 0.00 -2.89 0.00 0.00 54.13 51.27 2gdt s LEU 112 Cb -0.08 -0.08 -0.12 0.00 0.66 0.00 0.00 46.19 46.56 2gdt s LEU 112 CO 0.28 -0.08 2.09 0.54 -1.89 0.00 0.00 176.35 177.29 2gdt n ARG 113 N 3.81 1.17 -3.28 1.98 1.74 -1.25 -0.60 116.66 120.23 2gdt n ARG 113 Ca -0.23 0.35 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2gdt n ARG 113 Cb 0.53 -2.40 0.02 0.00 -1.02 0.00 0.00 32.46 29.59 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gdt s LYS 114 N 5.59 2.49 0.00 5.56 1.02 -1.26 -4.86 119.74 128.28 2gdt s LYS 114 Ca 1.06 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 55.49 2gdt s LYS 114 Cb -0.89 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2gdt s LYS 114 CO 0.52 -0.51 0.00 0.09 -0.92 0.00 0.00 175.35 174.53 2gdt n ASN 115 N -1.90 0.00 0.00 2.83 4.13 -1.26 -4.70 115.26 114.35 2gdt n ASN 115 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2gdt n ASN 115 Cb 0.61 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.85 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15