#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt s HIS 2 N 0.00 1.82 0.60 1.61 4.02 -1.26 -4.74 115.29 117.34 2gdt s HIS 2 Ca 0.00 1.07 -0.09 0.00 1.02 0.00 0.00 55.06 57.06 2gdt s HIS 2 Cb 0.00 -3.20 -0.02 0.00 -1.02 0.00 0.00 32.58 28.34 2gdt s HIS 2 CO 0.00 -3.26 0.96 0.08 1.02 0.00 0.00 174.74 173.55 2gdt s VAL 3 N -2.78 4.38 -0.09 -0.90 1.01 -0.41 -4.88 120.40 116.73 2gdt s VAL 3 Ca 0.66 0.51 0.02 0.00 0.00 0.00 0.00 61.98 63.18 2gdt s VAL 3 Cb -0.21 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2gdt s VAL 3 CO 0.60 -0.88 -0.16 -1.58 0.00 0.00 0.00 175.10 173.08 2gdt s GLN 4 N -5.08 2.95 0.05 2.72 0.74 -1.26 -0.04 119.66 119.73 2gdt s GLN 4 Ca 0.54 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 55.19 2gdt s GLN 4 Cb -0.11 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.51 2gdt s GLN 4 CO 0.50 0.37 -0.02 -0.51 -0.55 0.00 0.00 175.29 175.09 2gdt s LEU 5 N -0.08 2.40 0.06 3.68 1.43 -0.88 -4.92 118.68 120.38 2gdt s LEU 5 Ca -0.03 -0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2gdt s LEU 5 Cb -0.14 0.25 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 2gdt s LEU 5 CO 0.04 -0.59 -0.04 -0.44 0.23 0.00 0.00 176.35 175.55 2gdt s SER 6 N -2.82 0.68 0.08 2.29 0.01 -1.26 -0.92 113.70 111.76 2gdt s SER 6 Ca 0.05 -0.97 -0.11 0.00 1.31 0.00 0.00 55.95 56.23 2gdt s SER 6 Cb 0.07 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.47 2gdt s SER 6 CO -0.09 -0.54 0.26 -0.76 0.41 0.00 0.00 173.24 172.52 2gdt s LEU 7 N -2.85 1.09 1.08 2.44 1.43 -0.04 -4.99 118.68 116.84 2gdt s LEU 7 Ca 0.07 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 2gdt s LEU 7 Cb 0.06 1.26 0.23 0.00 0.03 0.00 0.00 46.19 47.77 2gdt s LEU 7 CO -0.08 -0.71 1.10 -2.16 0.23 0.00 0.00 176.35 174.74 2gdt s PRO 8 N -3.39 -0.24 0.01 1.29 0.04 -1.26 -0.70 135.00 130.76 2gdt s PRO 8 Ca 0.01 0.27 0.07 0.00 0.04 0.00 0.00 61.00 61.39 2gdt s PRO 8 Cb 0.02 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.86 2gdt s PRO 8 CO -0.09 -3.12 -0.22 0.08 0.04 0.00 0.00 177.00 173.69 2gdt s VAL 9 N -2.99 1.72 -0.06 -0.36 1.01 0.39 -0.30 120.40 119.82 2gdt s VAL 9 Ca 0.68 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2gdt s VAL 9 Cb -0.15 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2gdt s VAL 9 CO 0.57 0.35 0.01 -0.76 0.00 0.00 0.00 175.10 175.28 2gdt s LEU 10 N -0.86 0.55 0.62 3.92 1.43 0.15 -2.50 118.68 121.99 2gdt s LEU 10 Ca 0.08 -0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 2gdt s LEU 10 Cb -0.09 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 2gdt s LEU 10 CO 0.01 -0.20 1.29 -1.10 0.23 0.00 0.00 176.35 176.58 2gdt s GLN 11 N 1.93 2.71 0.56 1.70 -0.21 -1.26 -4.05 119.66 121.04 2gdt s GLN 11 Ca 0.04 2.06 0.27 0.00 0.02 0.00 0.00 55.36 57.75 2gdt s GLN 11 Cb -0.12 -1.93 1.50 0.00 1.00 0.00 0.00 33.01 33.46 2gdt s GLN 11 CO -0.04 -1.47 2.01 -0.24 -2.12 0.00 0.00 175.29 173.42 2gdt h VAL 12 N 0.75 0.56 -0.41 1.09 3.04 -1.92 0.20 116.25 119.56 2gdt h VAL 12 Ca -0.51 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.06 2gdt h VAL 12 Cb 1.33 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 2gdt h VAL 12 CO 0.54 0.00 -0.23 0.08 -1.01 0.00 0.00 177.57 176.95 2gdt h ARG 13 N 0.00 0.83 0.00 4.17 0.11 -1.96 -3.26 114.38 114.28 2gdt h ARG 13 Ca 0.18 -0.34 -0.07 0.00 0.10 0.00 0.00 59.98 59.85 2gdt h ARG 13 Cb 0.86 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 2gdt h ARG 13 CO -0.00 0.98 -1.41 -0.25 0.10 0.00 0.00 179.97 179.38 2gdt n ASP 14 N -4.11 0.62 -3.29 0.08 9.92 0.57 -4.33 116.55 116.02 2gdt n ASP 14 Ca 0.00 0.25 -0.25 0.00 -0.53 0.00 0.00 54.79 54.26 2gdt n ASP 14 Cb 0.44 0.73 -0.05 0.00 -0.64 0.00 0.00 41.12 41.60 2gdt n ASP 14 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2gdt n VAL 15 N -2.65 0.54 -0.27 2.53 0.31 -0.39 -4.77 118.33 113.63 2gdt n VAL 15 Ca -0.06 -0.39 0.18 0.00 -0.01 0.00 0.00 64.34 64.07 2gdt n VAL 15 Cb 0.67 -1.87 0.34 0.00 -0.91 0.00 0.00 33.84 32.07 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 6.73 0.07 -3.94 7.52 4.77 -1.26 -4.22 117.00 126.67 2gdt n LEU 16 Ca 0.30 1.34 -0.30 0.00 -0.03 0.00 0.00 56.01 57.31 2gdt n LEU 16 Cb 0.23 -0.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 2gdt n LEU 16 CO 0.86 -1.42 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.40 2gdt s VAL 17 N -5.49 1.56 -0.21 4.08 1.01 -1.26 -5.00 120.40 115.09 2gdt s VAL 17 Ca -0.09 -1.31 0.15 0.00 0.00 0.00 0.00 61.98 60.73 2gdt s VAL 17 Cb 0.25 -1.85 0.54 0.00 0.00 0.00 0.00 36.38 35.31 2gdt s VAL 17 CO 0.62 -0.15 1.45 0.54 0.00 0.00 0.00 175.10 177.56 2gdt n ARG 18 N 4.65 2.75 -3.83 2.72 3.00 -1.26 -4.45 116.66 120.24 2gdt n ARG 18 Ca -0.11 -2.92 -0.28 0.00 -0.01 0.00 0.00 57.85 54.53 2gdt n ARG 18 Cb 0.44 -1.86 -0.16 0.00 0.00 0.00 0.00 32.46 30.87 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 -2.00 0.87 0.35 -0.13 0.00 -1.26 -4.21 107.32 100.93 2gdt s GLY 19 Ca 0.43 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.39 2gdt s GLY 19 CO 0.07 1.14 1.97 0.74 0.00 0.00 0.00 173.10 177.03 2gdt h PHE 20 N 8.16 0.82 -3.25 1.90 0.04 -1.87 -3.47 116.94 119.26 2gdt h PHE 20 Ca -0.20 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 2gdt h PHE 20 Cb 1.11 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 2gdt h PHE 20 CO 0.40 0.46 0.17 0.20 -0.60 0.00 0.00 178.31 178.95 2gdt s GLY 21 N -3.51 0.64 0.01 -1.45 0.00 -1.26 -4.82 107.32 96.94 2gdt s GLY 21 Ca -0.10 -0.94 0.17 0.00 0.00 0.00 0.00 44.72 43.85 2gdt s GLY 21 CO 0.77 -0.47 0.70 1.34 0.00 0.00 0.00 173.10 175.44 2gdt n ASP 22 N -1.46 0.71 -4.67 1.64 2.03 -1.26 -4.55 116.55 108.99 2gdt n ASP 22 Ca -0.06 0.31 -0.24 0.00 0.52 0.00 0.00 54.79 55.31 2gdt n ASP 22 Cb 0.60 0.35 -0.08 0.00 -0.72 0.00 0.00 41.12 41.28 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 -5.69 4.31 0.09 1.67 0.01 -1.26 -4.50 113.70 108.33 2gdt s SER 23 Ca -0.04 -0.99 -0.25 0.00 1.31 0.00 0.00 55.95 55.98 2gdt s SER 23 Cb 0.09 -0.55 -0.16 0.00 0.21 0.00 0.00 66.02 65.61 2gdt s SER 23 CO 0.82 -0.33 1.72 0.58 0.41 0.00 0.00 173.24 176.44 2gdt h VAL 24 N 1.67 0.89 -0.36 3.43 2.07 -1.92 -0.74 116.25 121.28 2gdt h VAL 24 Ca -0.43 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2gdt h VAL 24 Cb 1.25 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2gdt h VAL 24 CO 0.68 0.00 -0.07 -0.33 0.02 0.00 0.00 177.57 177.87 2gdt h GLU 25 N -0.15 0.59 0.69 1.57 5.08 -1.98 -0.69 114.58 119.69 2gdt h GLU 25 Ca -0.02 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2gdt h GLU 25 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2gdt h GLU 25 CO 0.03 0.67 -0.38 0.93 -1.00 0.00 0.00 179.01 179.26 2gdt h GLU 26 N 0.55 -0.95 -0.78 2.33 4.39 -1.88 -1.63 114.58 116.61 2gdt h GLU 26 Ca 0.11 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2gdt h GLU 26 Cb 0.46 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 2gdt h GLU 26 CO 0.02 -0.63 0.48 0.00 -1.16 0.00 0.00 179.01 177.73 2gdt h ALA 27 N -1.43 1.00 -0.77 3.43 0.00 -1.00 -0.29 119.26 120.20 2gdt h ALA 27 Ca -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2gdt h ALA 27 Cb 0.77 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2gdt h ALA 27 CO 0.12 0.45 0.51 1.25 0.00 0.00 0.00 179.25 181.59 2gdt h LEU 28 N 1.07 0.84 0.23 0.00 6.46 -1.13 0.47 115.31 123.25 2gdt h LEU 28 Ca 0.28 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 2gdt h LEU 28 Cb -0.06 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2gdt h LEU 28 CO -0.05 0.59 -0.11 -1.28 -0.62 0.00 0.00 178.44 176.96 2gdt h SER 29 N 0.98 -0.27 -0.71 1.25 0.87 -0.17 -2.55 113.55 112.95 2gdt h SER 29 Ca 0.30 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.68 2gdt h SER 29 Cb -0.01 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 2gdt h SER 29 CO -0.08 0.21 0.37 -0.33 -0.53 0.00 0.00 176.83 176.46 2gdt h GLU 30 N -0.84 0.62 -0.20 2.24 4.39 -1.05 -1.23 114.58 118.51 2gdt h GLU 30 Ca -0.03 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2gdt h GLU 30 Cb 0.51 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2gdt h GLU 30 CO 0.05 0.41 -0.02 0.00 -1.16 0.00 0.00 179.01 178.29 2gdt h ALA 31 N 1.41 0.16 -0.81 3.43 0.00 -0.93 0.34 119.26 122.86 2gdt h ALA 31 Ca 0.34 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.41 2gdt h ALA 31 Cb 0.32 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2gdt h ALA 31 CO -0.24 -0.45 0.45 -0.09 0.00 0.00 0.00 179.25 178.92 2gdt h ARG 32 N 0.04 0.71 -0.27 0.00 2.43 -0.89 0.50 114.38 116.90 2gdt h ARG 32 Ca 0.09 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2gdt h ARG 32 Cb 0.13 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2gdt h ARG 32 CO -0.17 0.47 -0.16 0.93 -1.51 0.00 0.00 179.97 179.53 2gdt h GLU 33 N 0.73 0.59 -0.02 0.20 4.39 -0.23 -2.28 114.58 117.97 2gdt h GLU 33 Ca 0.40 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.72 2gdt h GLU 33 Cb 0.42 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2gdt h GLU 33 CO -0.27 0.85 -0.53 0.45 -1.16 0.00 0.00 179.01 178.34 2gdt h HIS 34 N 0.32 0.07 -0.14 4.33 3.86 0.14 0.12 115.15 123.85 2gdt h HIS 34 Ca 0.06 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2gdt h HIS 34 Cb 0.68 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2gdt h HIS 34 CO 0.06 0.57 0.08 -0.07 0.86 0.00 0.00 177.93 179.44 2gdt h LEU 35 N 0.04 0.16 -0.16 2.43 3.38 -0.91 0.46 115.31 120.70 2gdt h LEU 35 Ca -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2gdt h LEU 35 Cb 0.95 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2gdt h LEU 35 CO 0.07 0.15 0.03 0.50 0.09 0.00 0.00 178.44 179.28 2gdt h LYS 36 N 0.16 0.27 -0.62 1.13 1.63 -0.71 -3.09 116.57 115.34 2gdt h LYS 36 Ca 0.05 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 2gdt h LYS 36 Cb 0.02 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2gdt h LYS 36 CO -0.01 0.45 0.14 -0.91 -3.45 0.00 0.00 179.45 175.67 2gdt h ASN 37 N 0.06 0.91 0.00 4.20 2.35 -0.81 -3.47 115.58 118.81 2gdt h ASN 37 Ca 0.05 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2gdt h ASN 37 Cb 0.31 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2gdt h ASN 37 CO 0.00 0.88 0.00 0.61 -1.65 0.00 0.00 177.43 177.28 2gdt n GLY 38 N -0.76 0.80 2.68 2.83 0.00 -0.05 -5.02 105.19 105.68 2gdt n GLY 38 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2gdt n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gdt n THR 39 N -0.88 3.46 -4.39 2.61 5.66 -0.06 -4.86 114.28 115.83 2gdt n THR 39 Ca 0.00 -3.62 -0.24 0.00 -3.05 0.00 0.00 64.05 57.15 2gdt n THR 39 Cb 0.00 -1.39 -0.13 0.00 -1.55 0.00 0.00 70.33 67.26 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gdt n GLY 41 N 1.42 3.26 3.85 0.00 0.00 0.41 -4.43 105.19 109.71 2gdt n GLY 41 Ca -0.19 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 2.40 0.03 0.99 2.96 0.59 -0.89 118.68 124.76 2gdt s LEU 42 Ca 0.22 -1.51 -0.14 0.00 -0.22 0.00 0.00 54.13 52.48 2gdt s LEU 42 Cb 0.01 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.82 2gdt s LEU 42 CO 0.16 -1.05 0.32 0.54 -1.32 0.00 0.00 176.35 174.99 2gdt s VAL 43 N -2.86 0.07 -0.12 1.68 0.11 -0.39 0.31 120.40 119.20 2gdt s VAL 43 Ca 0.16 -0.60 -0.15 0.00 -2.93 0.00 0.00 61.98 58.46 2gdt s VAL 43 Cb -0.01 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2gdt s VAL 43 CO 0.10 -0.33 0.36 -1.61 -3.33 0.00 0.00 175.10 170.29 2gdt s GLU 44 N -2.18 4.17 -0.52 1.54 2.02 -1.26 -2.46 118.70 120.01 2gdt s GLU 44 Ca -0.08 0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.88 2gdt s GLU 44 Cb -0.02 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2gdt s GLU 44 CO -0.01 0.33 1.56 -0.51 0.02 0.00 0.00 175.26 176.65 2gdt s LEU 45 N 0.14 3.41 0.55 1.80 1.43 -1.26 -4.82 118.68 119.93 2gdt s LEU 45 Ca 0.20 0.49 0.09 0.00 -1.03 0.00 0.00 54.13 53.89 2gdt s LEU 45 Cb -0.14 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.08 2gdt s LEU 45 CO 0.07 -1.81 0.76 -1.61 0.23 0.00 0.00 176.35 173.99 2gdt s GLU 46 N 5.77 2.39 0.09 1.70 0.41 -1.26 -4.95 118.70 122.85 2gdt s GLU 46 Ca 0.60 -1.51 -0.27 0.00 -0.41 0.00 0.00 54.97 53.38 2gdt s GLU 46 Cb -0.13 -2.65 -0.13 0.00 -1.78 0.00 0.00 34.13 29.44 2gdt s GLU 46 CO 0.26 -0.77 1.67 -0.22 -0.49 0.00 0.00 175.26 175.72 2gdt h LYS 47 N 0.24 -0.40 -3.40 1.61 3.64 -2.01 -2.97 116.57 113.28 2gdt h LYS 47 Ca -0.32 0.03 -0.73 0.00 -1.27 0.00 0.00 60.65 58.35 2gdt h LYS 47 Cb 1.29 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 33.09 2gdt h LYS 47 CO 0.42 -0.26 2.57 0.41 -2.27 0.00 0.00 179.45 180.31 2gdt n GLY 48 N -1.30 4.71 1.05 5.01 0.00 -1.26 -4.33 105.19 109.08 2gdt n GLY 48 Ca -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 3.48 0.79 -0.13 1.61 0.31 -1.12 -4.80 118.33 118.47 2gdt n VAL 49 Ca 0.51 0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 65.05 2gdt n VAL 49 Cb 0.33 -1.36 0.02 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.00 -0.60 -0.60 7.52 3.38 -1.79 0.12 115.31 123.34 2gdt h LEU 50 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2gdt h LEU 50 Cb 0.00 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2gdt h LEU 50 CO 0.00 -0.21 0.00 -0.81 0.09 0.00 0.00 178.44 177.51 2gdt n PRO 51 N -5.37 0.89 0.00 1.13 -0.04 -1.26 -1.23 135.00 129.12 2gdt n PRO 51 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2gdt n PRO 51 Cb 0.28 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.17 0.58 -2.62 0.54 6.02 0.37 -5.09 117.38 117.02 2gdt n GLN 52 Ca 0.00 -0.85 -0.16 0.00 -0.01 0.00 0.00 57.00 55.99 2gdt n GLN 52 Cb 0.13 -0.95 0.05 0.00 1.02 0.00 0.00 30.24 30.49 2gdt n GLN 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gdt n LEU 53 N -0.19 0.00 0.00 1.08 4.77 -0.37 -4.99 117.00 117.31 2gdt n LEU 53 Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 2gdt n LEU 53 Cb 0.13 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2gdt n LEU 53 CO 0.00 -0.66 0.00 -0.62 -1.33 0.00 0.00 177.39 174.78 2gdt n GLU 54 N -1.98 0.00 0.08 3.23 -0.58 -1.26 -5.05 120.64 115.09 2gdt n GLU 54 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2gdt n GLU 54 Cb 0.48 -0.23 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 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 -0.01 0.00 -2.20 3.49 6.02 -1.26 -5.03 117.38 118.39 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 -1.48 2.86 -0.68 -1.09 0.04 -1.26 -4.04 135.00 129.35 2gdt s PRO 56 Ca 0.00 -0.51 -0.27 0.00 0.04 0.00 0.00 61.00 60.26 2gdt s PRO 56 Cb 0.00 -5.13 0.03 0.00 0.04 0.00 0.00 34.50 29.44 2gdt s PRO 56 CO 0.00 -3.02 1.29 0.71 0.04 0.00 0.00 177.00 176.02 2gdt s TYR 57 N 8.57 2.35 -1.04 0.56 2.02 -0.02 -4.77 117.35 125.01 2gdt s TYR 57 Ca 0.63 0.15 -0.23 0.00 -0.37 0.00 0.00 57.07 57.25 2gdt s TYR 57 Cb -0.05 -4.56 0.02 0.00 -0.40 0.00 0.00 41.96 36.97 2gdt s TYR 57 CO -0.03 -1.95 1.63 0.08 -1.57 0.00 0.00 175.55 173.72 2gdt s VAL 58 N 5.67 3.82 0.78 0.71 1.01 -1.26 -2.62 120.40 128.51 2gdt s VAL 58 Ca 0.40 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 2gdt s VAL 58 Cb -0.08 -4.82 0.09 0.00 0.00 0.00 0.00 36.38 31.57 2gdt s VAL 58 CO 0.19 -1.67 1.12 -0.36 0.00 0.00 0.00 175.10 174.37 2gdt s PHE 59 N 6.37 2.69 -0.09 5.22 0.08 -0.42 -0.06 117.98 131.76 2gdt s PHE 59 Ca 0.54 0.51 0.02 0.00 0.12 0.00 0.00 56.93 58.11 2gdt s PHE 59 Cb -0.01 -3.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.03 2gdt s PHE 59 CO -0.04 -1.73 -0.12 0.96 -0.10 0.00 0.00 175.22 174.19 2gdt s ILE 60 N -3.45 1.24 0.11 0.64 -4.36 -0.99 -0.92 121.20 113.47 2gdt s ILE 60 Ca 0.63 -0.50 0.06 0.00 -0.26 0.00 0.00 60.65 60.59 2gdt s ILE 60 Cb -0.10 -1.15 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 2gdt s ILE 60 CO 0.47 0.39 -0.16 -1.59 0.24 0.00 0.00 174.94 174.29 2gdt s LYS 61 N 0.99 1.03 -0.83 0.37 -2.85 -1.24 -1.31 119.74 115.89 2gdt s LYS 61 Ca -0.08 -1.18 -0.07 0.00 -1.00 0.00 0.00 55.97 53.64 2gdt s LYS 61 Cb -0.15 -1.03 -0.15 0.00 -2.06 0.00 0.00 37.83 34.44 2gdt s LYS 61 CO -0.00 0.22 3.02 2.89 0.10 0.00 0.00 175.35 181.57 2gdt n ARG 62 N 0.79 2.68 0.00 1.78 1.85 -0.48 -1.34 116.66 121.93 2gdt n ARG 62 Ca -0.17 -1.54 0.00 0.00 -1.00 0.00 0.00 57.85 55.14 2gdt n ARG 62 Cb 0.56 -2.38 0.00 0.00 -1.05 0.00 0.00 32.46 29.58 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 3.20 0.00 -3.99 2.89 2.88 -1.26 -4.82 113.62 112.53 2gdt n SER 63 Ca 0.57 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.81 2gdt n SER 63 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2gdt n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gdt n ASP 64 N 5.34 -3.23 0.00 -3.46 9.92 -1.26 -4.79 116.55 119.07 2gdt n ASP 64 Ca 0.00 -0.89 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 2gdt n ASP 64 Cb 0.00 -3.44 0.00 0.00 -0.64 0.00 0.00 41.12 37.04 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gdt n ALA 65 N -4.51 0.64 -2.44 2.24 0.00 -1.26 -5.15 120.51 110.03 2gdt n ALA 65 Ca -0.04 -0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 2gdt n ALA 65 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 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 1.93 -0.57 0.00 1.43 -1.26 -5.10 118.68 115.12 2gdt s LEU 66 Ca 0.00 -1.56 -0.27 0.00 -1.03 0.00 0.00 54.13 51.26 2gdt s LEU 66 Cb 0.00 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.14 2gdt s LEU 66 CO 0.00 -0.84 1.59 -0.94 0.23 0.00 0.00 176.35 176.39 2gdt s SER 67 N -3.51 5.83 -0.04 2.29 1.04 -1.26 -4.48 113.70 113.57 2gdt s SER 67 Ca 0.30 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 2gdt s SER 67 Cb 0.05 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.63 2gdt s SER 67 CO 0.15 -1.93 0.06 1.07 0.98 0.00 0.00 173.24 173.57 2gdt n THR 68 N 6.99 -1.82 -0.11 2.02 5.66 -1.26 -4.91 114.28 120.84 2gdt n THR 68 Ca 0.15 0.37 -0.10 0.00 -3.05 0.00 0.00 64.05 61.42 2gdt n THR 68 Cb 0.50 -2.52 -0.02 0.00 -1.55 0.00 0.00 70.33 66.74 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 2.97 0.51 -2.46 1.09 -1.24 -2.00 -3.47 115.58 110.97 2gdt h ASN 69 Ca -0.06 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 56.73 2gdt h ASN 69 Cb 0.86 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.78 2gdt h ASN 69 CO 0.02 0.60 -0.26 1.57 -1.29 0.00 0.00 177.43 178.06 2gdt n HIS 70 N -4.64 -0.07 -1.91 0.67 -0.00 -1.26 -4.93 115.22 103.09 2gdt n HIS 70 Ca -0.01 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2gdt n HIS 70 Cb 0.18 -0.28 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 2gdt n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2gdt n GLY 71 N 0.63 1.36 3.30 1.57 0.00 -1.26 -5.16 105.19 105.63 2gdt n GLY 71 Ca -0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2gdt n GLY 71 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2gdt n HIS 72 N 0.00 -2.31 -1.96 1.61 -0.00 -1.26 -4.84 115.22 106.45 2gdt n HIS 72 Ca 0.00 -0.33 -0.30 0.00 -0.00 0.00 0.00 57.72 57.09 2gdt n HIS 72 Cb 0.00 -1.51 -0.04 0.00 -0.00 0.00 0.00 29.99 28.43 2gdt n HIS 72 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2gdt s LYS 73 N -4.34 2.44 0.38 1.57 1.02 -1.26 -4.96 119.74 114.59 2gdt s LYS 73 Ca 0.63 0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.71 2gdt s LYS 73 Cb -0.17 -4.77 -0.08 0.00 -0.52 0.00 0.00 37.83 32.30 2gdt s LYS 73 CO 0.59 -3.27 0.77 0.08 -0.92 0.00 0.00 175.35 172.60 2gdt s VAL 74 N 10.40 4.73 0.31 3.17 1.01 -1.26 -3.55 120.40 135.21 2gdt s VAL 74 Ca 0.73 0.78 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2gdt s VAL 74 Cb -0.10 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2gdt s VAL 74 CO 0.09 -0.39 0.35 1.33 0.00 0.00 0.00 175.10 176.48 2gdt n VAL 75 N -0.93 0.00 -4.48 2.92 0.24 -1.26 -4.27 118.33 110.55 2gdt n VAL 75 Ca 0.03 -1.90 -0.24 0.00 -2.04 0.00 0.00 64.34 60.19 2gdt n VAL 75 Cb 0.54 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.86 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 -2.97 1.83 0.16 7.34 -1.05 -0.45 -4.64 118.70 118.91 2gdt s GLU 76 Ca 0.31 -2.09 -0.30 0.00 -0.15 0.00 0.00 54.97 52.74 2gdt s GLU 76 Cb 0.00 -0.60 -0.07 0.00 -0.44 0.00 0.00 34.13 33.03 2gdt s GLU 76 CO 0.22 -0.42 0.94 -0.51 0.95 0.00 0.00 175.26 176.44 2gdt s LEU 77 N -3.55 4.55 0.06 1.83 1.43 -1.26 -3.70 118.68 118.04 2gdt s LEU 77 Ca 0.28 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.19 2gdt s LEU 77 Cb 0.04 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2gdt s LEU 77 CO 0.15 0.02 -0.00 -0.69 0.23 0.00 0.00 176.35 176.06 2gdt s VAL 78 N -0.45 0.20 0.06 -1.59 1.01 -0.09 -4.97 120.40 114.56 2gdt s VAL 78 Ca 0.44 -1.79 -0.05 0.00 0.00 0.00 0.00 61.98 60.58 2gdt s VAL 78 Cb -0.24 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2gdt s VAL 78 CO 0.30 -0.90 0.09 0.00 0.00 0.00 0.00 175.10 174.59 2gdt s ALA 79 N -3.94 0.05 -0.26 5.51 0.00 -1.26 -1.31 121.76 120.56 2gdt s ALA 79 Ca 0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 2gdt s ALA 79 Cb 0.08 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.62 2gdt s ALA 79 CO -0.08 -0.39 0.61 -2.00 0.00 0.00 0.00 175.76 173.90 2gdt s GLU 80 N -3.36 0.59 0.34 0.00 -6.30 -1.08 -4.93 118.70 103.96 2gdt s GLU 80 Ca 0.01 1.22 0.18 0.00 -2.50 0.00 0.00 54.97 53.88 2gdt s GLU 80 Cb 0.03 0.36 0.47 0.00 0.00 0.00 0.00 34.13 35.00 2gdt s GLU 80 CO -0.08 -0.18 1.63 0.00 0.02 0.00 0.00 175.26 176.66 2gdt h MET 81 N 7.45 0.00 0.00 4.30 -0.00 -1.90 -0.01 114.93 124.77 2gdt h MET 81 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.44 2gdt h MET 81 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 2gdt h MET 81 CO 0.16 0.41 0.00 -3.47 -0.00 0.00 0.00 176.91 174.01 2gdt n ASP 82 N -3.40 0.78 -3.82 -0.10 2.03 -1.26 -4.15 116.55 106.63 2gdt n ASP 82 Ca 0.01 -1.20 -0.24 0.00 0.52 0.00 0.00 54.79 53.87 2gdt n ASP 82 Cb 0.59 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.10 -0.28 0.25 0.27 0.00 -1.25 -4.90 105.19 99.18 2gdt n GLY 83 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.86 0.36 -1.44 -0.61 2.04 -1.94 -3.38 117.51 110.68 2gdt h ILE 84 Ca -0.62 -0.01 -0.63 0.00 1.00 0.00 0.00 64.86 64.61 2gdt h ILE 84 Cb 1.37 0.34 -0.13 0.00 -0.74 0.00 0.00 36.82 37.65 2gdt h ILE 84 CO 0.60 0.00 -0.57 -1.10 0.00 0.00 0.00 178.15 177.08 2gdt s GLN 85 N -6.22 2.00 0.00 2.37 -0.21 -1.26 -4.90 119.66 111.44 2gdt s GLN 85 Ca -0.14 -2.18 0.00 0.00 0.02 0.00 0.00 55.36 53.06 2gdt s GLN 85 Cb 0.20 -1.51 0.00 0.00 1.00 0.00 0.00 33.01 32.70 2gdt s GLN 85 CO 0.74 -0.16 0.00 0.66 -2.12 0.00 0.00 175.29 174.41 2gdt n TYR 86 N -1.02 0.00 -1.57 0.91 4.01 -1.26 -4.92 117.16 113.30 2gdt n TYR 86 Ca -0.09 0.00 -0.55 0.00 -0.16 0.00 0.00 57.90 57.10 2gdt n TYR 86 Cb 0.67 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.21 3.32 2.72 0.00 -1.26 -1.45 105.19 108.73 2gdt n GLY 87 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 2.29 -1.14 -2.85 1.61 0.63 -1.26 -4.97 116.66 110.97 2gdt n ARG 88 Ca 0.19 0.27 -0.33 0.00 -0.92 0.00 0.00 57.85 57.06 2gdt n ARG 88 Cb 0.14 -4.57 -0.07 0.00 0.45 0.00 0.00 32.46 28.41 2gdt n ARG 88 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2gdt s SER 89 N -1.85 6.93 0.02 6.15 0.15 -0.53 -4.97 113.70 119.60 2gdt s SER 89 Ca 0.00 1.65 0.23 0.00 0.70 0.00 0.00 55.95 58.53 2gdt s SER 89 Cb 0.00 -2.53 0.97 0.00 -1.71 0.00 0.00 66.02 62.75 2gdt s SER 89 CO 0.00 -0.34 1.73 0.61 1.20 0.00 0.00 173.24 176.44 2gdt n GLY 90 N -0.60 -1.31 0.28 9.45 0.00 -1.26 -1.61 105.19 110.14 2gdt n GLY 90 Ca 0.07 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 0.28 -2.91 -0.61 2.10 -1.93 -3.45 117.51 110.99 2gdt h ILE 91 Ca 0.00 -0.44 -0.67 0.00 1.08 0.00 0.00 64.86 64.83 2gdt h ILE 91 Cb 0.41 1.34 -0.09 0.00 -1.09 0.00 0.00 36.82 37.38 2gdt h ILE 91 CO 0.00 0.06 -0.53 -0.89 -1.08 0.00 0.00 178.15 175.71 2gdt s THR 92 N -4.01 5.07 -0.04 2.19 2.01 -0.64 -1.38 115.64 118.84 2gdt s THR 92 Ca -0.02 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.02 2gdt s THR 92 Cb 0.12 -3.23 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 2gdt s THR 92 CO 0.54 0.54 0.16 0.18 -0.69 0.00 0.00 174.62 175.34 2gdt n LEU 93 N 1.77 0.00 0.00 4.42 4.77 -0.43 -4.87 117.00 122.66 2gdt n LEU 93 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2gdt n LEU 93 Cb 0.54 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2gdt n LEU 93 CO 0.33 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2gdt n GLY 94 N 2.09 -1.37 3.82 -0.72 0.00 -1.26 -4.54 105.19 103.22 2gdt n GLY 94 Ca -0.06 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.39 5.02 -0.03 1.61 1.01 -1.03 -2.35 120.40 122.24 2gdt s VAL 95 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 2gdt s VAL 95 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2gdt s VAL 95 CO 0.00 0.47 0.54 -0.76 0.00 0.00 0.00 175.10 175.35 2gdt s LEU 96 N -1.42 4.40 0.05 3.92 1.43 0.91 -1.27 118.68 126.70 2gdt s LEU 96 Ca 0.20 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 2gdt s LEU 96 Cb -0.12 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 2gdt s LEU 96 CO 0.10 0.12 -0.03 0.68 0.23 0.00 0.00 176.35 177.45 2gdt s VAL 97 N -0.17 0.22 -0.02 -1.59 -7.23 -0.07 -4.50 120.40 107.04 2gdt s VAL 97 Ca 0.29 -1.62 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 2gdt s VAL 97 Cb -0.17 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 2gdt s VAL 97 CO 0.15 -0.89 1.38 -2.16 -0.31 0.00 0.00 175.10 173.28 2gdt s PRO 98 N -3.39 4.28 -0.58 4.82 0.04 -1.26 -0.45 135.00 138.46 2gdt s PRO 98 Ca 0.02 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 2gdt s PRO 98 Cb 0.04 -3.61 0.07 0.00 0.04 0.00 0.00 34.50 31.05 2gdt s PRO 98 CO -0.08 -0.58 0.80 -1.58 0.04 0.00 0.00 177.00 175.60 2gdt s HIS 99 N 2.53 2.88 -0.54 0.56 2.46 -0.04 -4.67 115.29 118.48 2gdt s HIS 99 Ca 0.63 -0.57 0.01 0.00 0.47 0.00 0.00 55.06 55.60 2gdt s HIS 99 Cb -0.30 -3.98 0.47 0.00 -0.13 0.00 0.00 32.58 28.64 2gdt s HIS 99 CO 0.25 -1.34 1.78 1.33 -2.47 0.00 0.00 174.74 174.30 2gdt n VAL 100 N 5.79 3.28 -0.81 0.89 0.24 -1.26 -4.40 118.33 122.06 2gdt n VAL 100 Ca -0.05 -3.22 0.00 0.00 -2.04 0.00 0.00 64.34 59.02 2gdt n VAL 100 Cb 0.45 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.88 0.58 0.00 7.63 0.00 -1.26 -5.03 105.19 106.22 2gdt n GLY 101 Ca 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2gdt n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gdt n GLU 102 N -2.81 0.00 -3.15 1.61 4.07 -1.26 -5.01 120.64 114.09 2gdt n GLU 102 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2gdt n GLU 102 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 2gdt n GLU 102 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2gdt s THR 103 N 0.00 -0.74 0.36 6.31 2.01 -1.26 -5.17 115.64 117.15 2gdt s THR 103 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2gdt s THR 103 Cb 0.00 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2gdt s THR 103 CO 0.00 0.00 0.61 -2.16 -0.69 0.00 0.00 174.62 172.38 2gdt s PRO 104 N 2.89 3.56 -0.01 4.92 0.04 -1.26 -4.72 135.00 140.41 2gdt s PRO 104 Ca 0.14 -0.07 0.12 0.00 0.04 0.00 0.00 61.00 61.23 2gdt s PRO 104 Cb -0.11 -2.58 -0.18 0.00 0.04 0.00 0.00 34.50 31.67 2gdt s PRO 104 CO -0.21 0.08 0.31 0.44 0.04 0.00 0.00 177.00 177.67 2gdt n ILE 105 N -1.60 0.00 -3.85 0.56 -0.00 -1.04 -5.02 119.36 108.41 2gdt n ILE 105 Ca -0.02 -0.27 -0.06 0.00 -0.00 0.00 0.00 62.75 62.40 2gdt n ILE 105 Cb 0.55 0.34 0.02 0.00 -0.00 0.00 0.00 39.64 40.56 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 -2.74 -1.22 0.16 -1.28 0.00 -1.25 -5.02 121.76 110.41 2gdt s ALA 106 Ca -0.03 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.48 2gdt s ALA 106 Cb 0.08 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2gdt s ALA 106 CO 0.51 -1.03 -0.17 0.71 0.00 0.00 0.00 175.76 175.79 2gdt s TYR 107 N -2.22 1.71 -0.01 0.00 1.51 -1.26 -0.46 117.35 116.62 2gdt s TYR 107 Ca 0.19 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2gdt s TYR 107 Cb -0.04 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 2gdt s TYR 107 CO 0.08 0.30 -0.02 1.03 -1.11 0.00 0.00 175.55 175.83 2gdt s ARG 108 N -2.94 0.29 0.18 -0.62 1.81 0.13 -4.86 118.95 112.94 2gdt s ARG 108 Ca 0.16 -0.04 0.11 0.00 -1.72 0.00 0.00 55.73 54.23 2gdt s ARG 108 Cb -0.05 -0.35 -0.04 0.00 -0.45 0.00 0.00 34.95 34.06 2gdt s ARG 108 CO 0.06 -0.01 -0.24 0.54 -0.68 0.00 0.00 175.30 174.97 2gdt s ASN 109 N 0.36 3.31 0.35 0.23 2.20 -1.26 -0.86 114.94 119.26 2gdt s ASN 109 Ca -0.03 -0.85 -0.01 0.00 -0.94 0.00 0.00 52.86 51.02 2gdt s ASN 109 Cb -0.06 -0.24 0.00 0.00 -2.00 0.00 0.00 41.25 38.95 2gdt s ASN 109 CO -0.01 0.11 0.46 0.68 -2.94 0.00 0.00 177.10 175.40 2gdt s VAL 110 N -1.64 0.00 0.33 3.54 -7.23 -0.10 -4.98 120.40 110.32 2gdt s VAL 110 Ca 0.19 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 58.81 2gdt s VAL 110 Cb -0.08 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2gdt s VAL 110 CO 0.09 0.00 0.16 -0.76 -0.31 0.00 0.00 175.10 174.27 2gdt s LEU 111 N -3.26 3.33 -0.09 1.32 2.01 -1.23 -2.07 118.68 118.69 2gdt s LEU 111 Ca 0.32 -0.70 -0.01 0.00 0.01 0.00 0.00 54.13 53.75 2gdt s LEU 111 Cb -0.00 -1.84 0.03 0.00 0.01 0.00 0.00 46.19 44.39 2gdt s LEU 111 CO 0.21 -0.27 -0.03 -0.22 1.01 0.00 0.00 176.35 177.05 2gdt s LEU 112 N -3.85 0.87 0.07 1.79 1.98 0.94 -3.98 118.68 116.49 2gdt s LEU 112 Ca 0.37 -0.18 -0.37 0.00 -2.89 0.00 0.00 54.13 51.06 2gdt s LEU 112 Cb -0.04 -0.62 -0.17 0.00 0.66 0.00 0.00 46.19 46.03 2gdt s LEU 112 CO 0.23 -0.16 1.36 0.54 -1.89 0.00 0.00 176.35 176.43 2gdt n ARG 113 N 5.03 1.16 -4.13 1.98 1.74 -1.26 -1.29 116.66 119.89 2gdt n ARG 113 Ca -0.10 0.42 -0.16 0.00 -0.77 0.00 0.00 57.85 57.24 2gdt n ARG 113 Cb 0.50 -2.07 -0.12 0.00 -1.02 0.00 0.00 32.46 29.76 2gdt n ARG 113 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2gdt s LYS 114 N 0.62 0.72 0.13 5.56 -2.85 -1.26 -4.82 119.74 117.83 2gdt s LYS 114 Ca 0.85 -0.92 -0.03 0.00 -1.00 0.00 0.00 55.97 54.87 2gdt s LYS 114 Cb -0.96 -0.57 -0.12 0.00 -2.06 0.00 0.00 37.83 34.13 2gdt s LYS 114 CO 0.47 0.11 1.29 -0.91 0.10 0.00 0.00 175.35 176.42 2gdt h ASN 115 N 4.23 0.44 0.00 0.03 4.21 -1.95 -3.43 115.58 119.11 2gdt h ASN 115 Ca -0.38 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 56.75 2gdt h ASN 115 Cb 1.19 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 2gdt h ASN 115 CO 0.43 1.20 0.00 0.61 -1.29 0.00 0.00 177.43 178.38