#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 0.77 -0.12 1.61 0.09 -1.26 -4.62 115.29 111.76 2gdt s HIS 2 Ca 0.00 -1.15 0.03 0.00 -0.00 0.00 0.00 55.06 53.94 2gdt s HIS 2 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 32.58 32.17 2gdt s HIS 2 CO 0.00 -0.54 -0.22 0.14 -0.00 0.00 0.00 174.74 174.13 2gdt s VAL 3 N -4.03 2.22 0.07 -0.90 -7.23 -0.55 -4.92 120.40 105.07 2gdt s VAL 3 Ca 0.22 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 2gdt s VAL 3 Cb 0.07 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 2gdt s VAL 3 CO 0.01 0.55 1.10 -1.58 -0.31 0.00 0.00 175.10 174.86 2gdt s GLN 4 N 0.49 4.53 0.15 4.82 0.74 -1.26 -0.32 119.66 128.80 2gdt s GLN 4 Ca -0.14 1.63 0.08 0.00 0.05 0.00 0.00 55.36 56.98 2gdt s GLN 4 Cb -0.17 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 2gdt s GLN 4 CO 0.05 -0.09 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.03 2gdt s LEU 5 N 0.65 2.44 0.18 3.68 1.43 -0.19 -4.93 118.68 121.93 2gdt s LEU 5 Ca 0.54 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2gdt s LEU 5 Cb -0.27 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2gdt s LEU 5 CO 0.30 -0.08 -0.02 -0.44 0.23 0.00 0.00 176.35 176.35 2gdt s SER 6 N -2.65 1.40 0.02 2.29 0.01 -1.26 -0.86 113.70 112.65 2gdt s SER 6 Ca 0.14 -1.15 -0.03 0.00 1.31 0.00 0.00 55.95 56.22 2gdt s SER 6 Cb -0.05 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2gdt s SER 6 CO 0.05 -0.52 0.05 -0.76 0.41 0.00 0.00 173.24 172.47 2gdt s LEU 7 N -3.19 1.95 0.87 2.44 1.43 0.34 -4.99 118.68 117.54 2gdt s LEU 7 Ca 0.23 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 2gdt s LEU 7 Cb 0.05 0.39 0.12 0.00 0.03 0.00 0.00 46.19 46.78 2gdt s LEU 7 CO 0.04 -0.38 1.10 -2.16 0.23 0.00 0.00 176.35 175.17 2gdt s PRO 8 N -1.81 1.42 -0.14 1.29 0.04 -1.26 -0.46 135.00 134.08 2gdt s PRO 8 Ca -0.12 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.01 2gdt s PRO 8 Cb -0.06 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 2gdt s PRO 8 CO -0.01 -2.20 -0.18 0.08 0.04 0.00 0.00 177.00 174.73 2gdt s VAL 9 N -2.84 2.50 0.14 -0.36 1.01 0.81 -0.54 120.40 121.13 2gdt s VAL 9 Ca 0.64 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.88 2gdt s VAL 9 Cb -0.19 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2gdt s VAL 9 CO 0.57 0.53 -0.24 -0.76 0.00 0.00 0.00 175.10 175.20 2gdt s LEU 10 N 0.63 2.35 0.07 3.92 1.43 -0.41 -1.37 118.68 125.31 2gdt s LEU 10 Ca -0.09 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 2gdt s LEU 10 Cb -0.16 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2gdt s LEU 10 CO 0.03 0.12 1.11 -1.10 0.23 0.00 0.00 176.35 176.74 2gdt s GLN 11 N -2.20 4.51 0.47 1.70 -1.52 -1.26 -4.52 119.66 116.84 2gdt s GLN 11 Ca 0.14 1.65 0.22 0.00 -1.95 0.00 0.00 55.36 55.42 2gdt s GLN 11 Cb -0.09 -3.36 1.23 0.00 -0.22 0.00 0.00 33.01 30.56 2gdt s GLN 11 CO 0.06 -0.12 1.89 -0.24 -0.25 0.00 0.00 175.29 176.64 2gdt h VAL 12 N 4.41 0.67 -0.24 1.09 3.04 -1.93 -0.47 116.25 122.82 2gdt h VAL 12 Ca -0.42 -0.08 -0.15 0.00 -1.01 0.00 0.00 66.70 65.04 2gdt h VAL 12 Cb 1.22 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2gdt h VAL 12 CO 0.77 0.04 -0.45 0.08 -1.01 0.00 0.00 177.57 177.01 2gdt h ARG 13 N 0.24 0.61 0.00 4.17 0.11 -1.96 -3.23 114.38 114.32 2gdt h ARG 13 Ca 0.42 -0.33 -0.22 0.00 0.10 0.00 0.00 59.98 59.94 2gdt h ARG 13 Cb 1.26 0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.32 2gdt h ARG 13 CO -0.10 0.94 -1.24 -0.44 0.10 0.00 0.00 179.97 179.22 2gdt h ASP 14 N 0.49 0.00 0.00 0.08 5.19 -1.47 -3.37 116.42 117.33 2gdt h ASP 14 Ca 0.03 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.95 2gdt h ASP 14 Cb 0.97 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.51 2gdt h ASP 14 CO 0.09 0.90 2.76 0.52 -3.12 0.00 0.00 179.24 180.39 2gdt n VAL 15 N -3.18 2.64 -0.58 -1.35 0.31 -0.91 -4.80 118.33 110.47 2gdt n VAL 15 Ca -0.07 -1.72 0.46 0.00 -0.01 0.00 0.00 64.34 63.00 2gdt n VAL 15 Cb 0.95 -2.26 0.75 0.00 -0.91 0.00 0.00 33.84 32.37 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 9.25 0.10 -7.86 7.52 3.38 -1.80 -3.16 115.31 122.75 2gdt h LEU 16 Ca 0.54 0.07 -0.63 0.00 0.09 0.00 0.00 57.88 57.95 2gdt h LEU 16 Cb 0.30 0.07 -0.36 0.00 0.09 0.00 0.00 40.66 40.75 2gdt h LEU 16 CO 1.61 -0.10 -0.82 0.54 0.09 0.00 0.00 178.44 179.76 2gdt s VAL 17 N -5.06 1.73 -2.81 1.22 0.11 -1.26 -4.99 120.40 109.35 2gdt s VAL 17 Ca -0.06 -0.96 0.23 0.00 -2.93 0.00 0.00 61.98 58.26 2gdt s VAL 17 Cb 0.28 -1.73 0.25 0.00 -1.53 0.00 0.00 36.38 33.66 2gdt s VAL 17 CO 0.86 0.27 1.29 0.54 -3.33 0.00 0.00 175.10 174.73 2gdt n ARG 18 N 4.67 2.34 -3.68 1.54 3.00 -1.20 -4.51 116.66 118.83 2gdt n ARG 18 Ca -0.16 -2.02 -0.38 0.00 -0.01 0.00 0.00 57.85 55.28 2gdt n ARG 18 Cb 0.47 -1.47 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 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 -1.83 2.02 0.61 -0.13 0.00 -1.26 -4.72 107.32 102.02 2gdt s GLY 19 Ca 0.31 -2.55 0.29 0.00 0.00 0.00 0.00 44.72 42.77 2gdt s GLY 19 CO 0.30 1.07 1.97 0.74 0.00 0.00 0.00 173.10 177.18 2gdt h PHE 20 N 8.21 0.00 -1.98 1.90 0.04 -1.90 -3.45 116.94 119.76 2gdt h PHE 20 Ca -0.16 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.63 2gdt h PHE 20 Cb 1.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 2gdt h PHE 20 CO 0.59 0.00 0.13 0.41 -0.60 0.00 0.00 178.31 178.85 2gdt n GLY 21 N -1.40 1.31 0.27 -1.45 0.00 -1.26 -4.68 105.19 97.98 2gdt n GLY 21 Ca 0.04 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.89 1.40 -4.26 1.61 -0.08 -1.26 -4.50 116.55 108.57 2gdt n ASP 22 Ca -0.01 -1.20 -0.18 0.00 -1.51 0.00 0.00 54.79 51.89 2gdt n ASP 22 Cb 0.16 0.62 -0.11 0.00 2.34 0.00 0.00 41.12 44.13 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 -2.09 2.10 0.12 1.67 0.01 -1.26 -4.75 113.70 109.50 2gdt s SER 23 Ca 0.12 -0.85 -0.27 0.00 1.31 0.00 0.00 55.95 56.25 2gdt s SER 23 Cb 0.13 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.22 2gdt s SER 23 CO 0.48 -0.15 1.62 0.58 0.41 0.00 0.00 173.24 176.18 2gdt h VAL 24 N 3.34 0.33 -0.55 3.43 2.07 -1.92 -1.70 116.25 121.26 2gdt h VAL 24 Ca -0.40 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2gdt h VAL 24 Cb 1.20 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2gdt h VAL 24 CO 0.53 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.86 2gdt h GLU 25 N -0.47 0.88 0.60 1.57 5.08 -1.97 -1.32 114.58 118.95 2gdt h GLU 25 Ca 0.05 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2gdt h GLU 25 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2gdt h GLU 25 CO -0.24 0.83 -0.38 0.93 -1.00 0.00 0.00 179.01 179.15 2gdt h GLU 26 N 0.83 -0.90 -0.39 2.33 4.39 -1.93 -1.87 114.58 117.05 2gdt h GLU 26 Ca 0.17 0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.94 2gdt h GLU 26 Cb 0.39 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2gdt h GLU 26 CO 0.01 -0.60 0.25 0.00 -1.16 0.00 0.00 179.01 177.51 2gdt h ALA 27 N -0.62 0.49 -0.62 3.43 0.00 -1.00 -0.86 119.26 120.07 2gdt h ALA 27 Ca -0.07 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2gdt h ALA 27 Cb 0.76 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2gdt h ALA 27 CO 0.06 -0.07 0.27 1.25 0.00 0.00 0.00 179.25 180.76 2gdt h LEU 28 N 0.51 0.33 0.16 0.00 5.85 -1.23 0.27 115.31 121.18 2gdt h LEU 28 Ca 0.15 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2gdt h LEU 28 Cb -0.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2gdt h LEU 28 CO -0.04 0.20 -0.08 0.28 -0.34 0.00 0.00 178.44 178.46 2gdt h SER 29 N 0.49 -0.18 -0.92 1.25 0.02 -0.55 -1.85 113.55 111.81 2gdt h SER 29 Ca 0.30 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2gdt h SER 29 Cb 0.32 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2gdt h SER 29 CO -0.26 0.05 0.61 -0.33 -1.14 0.00 0.00 176.83 175.75 2gdt h GLU 30 N -0.41 1.20 0.35 3.45 4.39 -1.03 -0.15 114.58 122.38 2gdt h GLU 30 Ca -0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2gdt h GLU 30 Cb 0.32 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2gdt h GLU 30 CO 0.04 0.80 -0.19 0.00 -1.16 0.00 0.00 179.01 178.49 2gdt h ALA 31 N 1.43 -0.50 -0.95 3.43 0.00 -0.85 0.35 119.26 122.16 2gdt h ALA 31 Ca 0.34 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.32 2gdt h ALA 31 Cb -0.14 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 2gdt h ALA 31 CO -0.07 -0.79 0.55 0.00 0.00 0.00 0.00 179.25 178.94 2gdt h ARG 32 N -0.51 0.70 0.48 0.00 3.08 -0.69 0.54 114.38 117.98 2gdt h ARG 32 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2gdt h ARG 32 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2gdt h ARG 32 CO 0.05 0.47 -0.23 0.93 -1.07 0.00 0.00 179.97 180.12 2gdt h GLU 33 N 0.72 -0.62 0.00 0.04 5.08 -0.23 -2.55 114.58 117.02 2gdt h GLU 33 Ca 0.54 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.87 2gdt h GLU 33 Cb 0.80 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2gdt h GLU 33 CO -0.37 -0.32 -0.34 0.45 -1.00 0.00 0.00 179.01 177.43 2gdt h HIS 34 N -0.88 0.00 -0.47 4.33 3.86 0.05 -0.23 115.15 121.81 2gdt h HIS 34 Ca -0.07 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 2gdt h HIS 34 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 2gdt h HIS 34 CO 0.00 0.34 0.05 -0.07 0.86 0.00 0.00 177.93 179.11 2gdt h LEU 35 N 0.00 0.70 -0.30 2.43 3.38 -0.92 0.38 115.31 120.98 2gdt h LEU 35 Ca -0.00 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2gdt h LEU 35 Cb 0.76 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2gdt h LEU 35 CO 0.04 0.74 -0.37 0.50 0.09 0.00 0.00 178.44 179.45 2gdt h LYS 36 N 0.71 0.78 -0.54 1.13 3.11 -0.70 -3.18 116.57 117.88 2gdt h LYS 36 Ca 0.15 -0.44 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 2gdt h LYS 36 Cb 0.36 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.60 2gdt h LYS 36 CO 0.01 1.07 0.32 -0.91 -2.81 0.00 0.00 179.45 177.12 2gdt h ASN 37 N 0.54 0.66 0.00 4.20 2.35 -0.79 -3.47 115.58 119.07 2gdt h ASN 37 Ca 0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2gdt h ASN 37 Cb 0.96 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2gdt h ASN 37 CO 0.09 0.54 0.00 0.61 -1.65 0.00 0.00 177.43 177.01 2gdt n GLY 38 N -1.09 0.97 2.19 2.83 0.00 0.11 -5.02 105.19 105.18 2gdt n GLY 38 Ca 0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 3.17 -4.39 2.61 -2.24 -0.12 -4.94 114.28 106.32 2gdt n THR 39 Ca 0.00 -3.46 -0.27 0.00 -2.27 0.00 0.00 64.05 58.04 2gdt n THR 39 Cb 0.00 -1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 66.97 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt n GLY 41 N 0.36 3.27 3.50 0.00 0.00 -0.02 -4.36 105.19 107.94 2gdt n GLY 41 Ca -0.13 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 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 2.78 -0.11 0.99 2.96 0.30 -1.62 118.68 123.98 2gdt s LEU 42 Ca 0.22 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2gdt s LEU 42 Cb 0.01 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2gdt s LEU 42 CO 0.15 0.28 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.59 2gdt s VAL 43 N -0.91 1.67 0.68 1.68 1.01 0.02 -1.29 120.40 123.26 2gdt s VAL 43 Ca 0.15 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2gdt s VAL 43 Cb -0.11 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2gdt s VAL 43 CO 0.05 0.47 1.19 -1.61 0.00 0.00 0.00 175.10 175.21 2gdt s GLU 44 N 0.84 2.50 -0.86 2.72 8.01 -1.26 -0.38 118.70 130.26 2gdt s GLU 44 Ca -0.09 1.72 -0.25 0.00 0.01 0.00 0.00 54.97 56.36 2gdt s GLU 44 Cb -0.15 -1.88 0.03 0.00 -4.31 0.00 0.00 34.13 27.82 2gdt s GLU 44 CO 0.00 -1.55 1.40 -0.51 0.01 0.00 0.00 175.26 174.61 2gdt s LEU 45 N -4.78 3.31 0.87 1.80 1.43 -1.25 -4.70 118.68 115.36 2gdt s LEU 45 Ca 0.74 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 2gdt s LEU 45 Cb -0.28 -2.56 0.13 0.00 0.03 0.00 0.00 46.19 43.50 2gdt s LEU 45 CO 0.41 -1.75 1.23 -1.61 0.23 0.00 0.00 176.35 174.86 2gdt s GLU 46 N 5.51 1.41 0.21 1.70 2.02 -1.26 -4.97 118.70 123.33 2gdt s GLU 46 Ca 0.42 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.25 2gdt s GLU 46 Cb -0.05 -1.90 0.27 0.00 0.10 0.00 0.00 34.13 32.55 2gdt s GLU 46 CO 0.04 -1.94 1.80 -0.22 0.02 0.00 0.00 175.26 174.95 2gdt h LYS 47 N -1.30 0.62 -0.75 1.61 3.64 -2.00 -3.24 116.57 115.15 2gdt h LYS 47 Ca -0.46 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.38 2gdt h LYS 47 Cb 1.29 -0.14 -0.31 0.00 -0.41 0.00 0.00 32.23 32.66 2gdt h LYS 47 CO 0.55 0.41 -0.10 0.41 -2.27 0.00 0.00 179.45 178.46 2gdt n GLY 48 N -1.29 5.88 0.11 5.01 0.00 -1.26 -4.60 105.19 109.04 2gdt n GLY 48 Ca 0.09 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 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 1.53 0.89 -0.75 1.61 2.07 -1.91 -3.39 116.25 116.31 2gdt h VAL 49 Ca 0.42 -2.23 0.15 0.00 0.82 0.00 0.00 66.70 65.86 2gdt h VAL 49 Cb 1.37 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 33.38 2gdt h VAL 49 CO 0.95 0.45 0.27 -0.07 0.02 0.00 0.00 177.57 179.20 2gdt h LEU 50 N -0.76 0.22 0.00 2.57 3.38 -1.81 0.72 115.31 119.63 2gdt h LEU 50 Ca -0.35 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2gdt h LEU 50 Cb 1.46 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2gdt h LEU 50 CO -0.13 0.07 0.00 -0.81 0.09 0.00 0.00 178.44 177.66 2gdt n PRO 51 N -5.04 0.69 -0.00 1.13 -0.04 -1.26 -2.37 135.00 128.11 2gdt n PRO 51 Ca 0.14 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 2gdt n PRO 51 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.15 0.81 -2.44 0.54 6.02 0.16 -4.98 117.38 116.33 2gdt n GLN 52 Ca 0.19 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.93 2gdt n GLN 52 Cb 0.17 -1.39 0.07 0.00 1.02 0.00 0.00 30.24 30.12 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 -2.94 3.02 0.00 1.08 2.01 -0.66 -4.94 118.68 116.26 2gdt s LEU 53 Ca 0.06 0.08 0.00 0.00 0.01 0.00 0.00 54.13 54.29 2gdt s LEU 53 Cb 0.14 -2.73 0.00 0.00 0.01 0.00 0.00 46.19 43.61 2gdt s LEU 53 CO 0.77 -1.53 0.00 -0.62 1.01 0.00 0.00 176.35 175.98 2gdt n GLU 54 N -2.72 0.00 0.17 1.70 -0.58 -1.26 -4.99 120.64 112.96 2gdt n GLU 54 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2gdt n GLU 54 Cb 0.60 -0.20 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 2gdt n GLU 54 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2gdt n GLN 55 N 0.00 0.00 -2.48 3.49 -0.06 -1.26 -5.01 117.38 112.07 2gdt n GLN 55 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.61 2gdt n GLN 55 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 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 3.40 -0.59 3.69 0.04 -1.26 -3.99 135.00 134.29 2gdt s PRO 56 Ca 0.00 -0.94 -0.28 0.00 0.04 0.00 0.00 61.00 59.83 2gdt s PRO 56 Cb 0.00 -5.25 0.02 0.00 0.04 0.00 0.00 34.50 29.31 2gdt s PRO 56 CO 0.00 -2.39 1.30 0.71 0.04 0.00 0.00 177.00 176.66 2gdt s TYR 57 N 5.84 2.42 -0.74 0.56 2.02 0.58 -4.67 117.35 123.37 2gdt s TYR 57 Ca 0.49 0.38 -0.27 0.00 -0.37 0.00 0.00 57.07 57.31 2gdt s TYR 57 Cb -0.02 -4.48 0.02 0.00 -0.40 0.00 0.00 41.96 37.08 2gdt s TYR 57 CO -0.07 -1.82 1.43 0.08 -1.57 0.00 0.00 175.55 173.60 2gdt s VAL 58 N 5.54 3.65 0.68 0.71 1.01 -1.26 -1.96 120.40 128.77 2gdt s VAL 58 Ca 0.46 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 2gdt s VAL 58 Cb -0.09 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.61 2gdt s VAL 58 CO 0.24 -1.64 1.05 -0.36 0.00 0.00 0.00 175.10 174.38 2gdt s PHE 59 N 6.50 3.28 -0.08 5.22 0.08 0.11 -0.37 117.98 132.72 2gdt s PHE 59 Ca 0.43 0.91 0.03 0.00 0.12 0.00 0.00 56.93 58.42 2gdt s PHE 59 Cb -0.08 -3.01 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 2gdt s PHE 59 CO 0.14 -1.12 -0.17 0.96 -0.10 0.00 0.00 175.22 174.93 2gdt s ILE 60 N -3.27 1.49 0.13 0.64 -4.36 -0.85 -2.51 121.20 112.46 2gdt s ILE 60 Ca 0.57 -0.68 0.04 0.00 -0.26 0.00 0.00 60.65 60.32 2gdt s ILE 60 Cb -0.11 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 2gdt s ILE 60 CO 0.50 0.43 -0.10 -1.59 0.24 0.00 0.00 174.94 174.42 2gdt s LYS 61 N 0.56 0.97 0.00 0.37 -2.85 -1.19 -0.81 119.74 116.80 2gdt s LYS 61 Ca -0.16 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.45 2gdt s LYS 61 Cb -0.17 -0.53 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 2gdt s LYS 61 CO 0.05 0.06 0.21 0.54 0.10 0.00 0.00 175.35 176.32 2gdt n ARG 62 N 0.00 0.35 -1.04 1.78 1.74 -0.92 -1.24 116.66 117.34 2gdt n ARG 62 Ca -0.12 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.00 2gdt n ARG 62 Cb 0.60 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 2gdt n ARG 62 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2gdt n SER 63 N 0.17 -5.60 -0.13 0.55 2.88 -1.25 -3.70 113.62 106.52 2gdt n SER 63 Ca 0.00 1.18 0.15 0.00 -1.33 0.00 0.00 58.87 58.87 2gdt n SER 63 Cb 0.07 -3.23 0.83 0.00 -0.75 0.00 0.00 64.21 61.13 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 -2.75 0.41 0.00 -3.46 8.00 -1.26 -2.73 116.55 114.76 2gdt n ASP 64 Ca -0.02 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2gdt n ASP 64 Cb 0.38 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gdt n ALA 65 N -0.68 1.77 -0.95 2.24 0.00 -1.26 -5.11 120.51 116.52 2gdt n ALA 65 Ca 0.23 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2gdt n ALA 65 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2gdt n ALA 65 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2gdt n LEU 66 N -0.27 -0.85 -3.92 0.00 -0.00 -1.11 -1.74 117.00 109.11 2gdt n LEU 66 Ca 0.00 0.13 -0.27 0.00 -0.00 0.00 0.00 56.01 55.86 2gdt n LEU 66 Cb 0.25 -0.34 -0.01 0.00 -0.00 0.00 0.00 43.42 43.32 2gdt n LEU 66 CO 0.00 -0.40 -0.21 -1.20 -0.00 0.00 0.00 177.39 175.58 2gdt n SER 67 N 1.42 -1.26 -0.19 1.45 7.64 -1.26 -4.89 113.62 116.52 2gdt n SER 67 Ca 0.00 -1.03 -0.12 0.00 1.01 0.00 0.00 58.87 58.74 2gdt n SER 67 Cb 0.07 -3.03 -0.08 0.00 -1.01 0.00 0.00 64.21 60.17 2gdt n SER 67 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2gdt h THR 68 N -1.88 0.03 -1.50 0.44 2.02 -1.72 -1.46 112.91 108.85 2gdt h THR 68 Ca -0.64 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 65.96 2gdt h THR 68 Cb 1.37 0.03 -0.42 0.00 -1.74 0.00 0.00 68.15 67.40 2gdt h THR 68 CO 0.60 0.00 -0.75 -3.20 0.37 0.00 0.00 175.52 172.54 2gdt n ASN 69 N -5.38 4.59 -3.56 4.18 5.15 -1.26 -4.99 115.26 113.98 2gdt n ASN 69 Ca -0.01 -3.68 -0.22 0.00 -0.60 0.00 0.00 54.58 50.07 2gdt n ASN 69 Cb 0.34 -0.46 0.01 0.00 -0.53 0.00 0.00 39.78 39.13 2gdt n ASN 69 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2gdt n HIS 70 N -0.47 -2.40 -3.48 1.20 8.25 -0.55 -4.98 115.22 112.80 2gdt n HIS 70 Ca 0.38 0.97 -0.27 0.00 -0.26 0.00 0.00 57.72 58.54 2gdt n HIS 70 Cb 0.67 -2.93 -0.09 0.00 1.12 0.00 0.00 29.99 28.77 2gdt n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gdt n GLY 71 N -1.37 4.21 1.40 -1.41 0.00 -1.26 -5.09 105.19 101.67 2gdt n GLY 71 Ca -0.20 -2.47 0.18 0.00 0.00 0.00 0.00 46.02 43.52 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 1.27 -3.53 -2.05 1.61 8.25 -1.26 -4.39 115.22 115.12 2gdt n HIS 72 Ca 0.27 1.84 -0.27 0.00 -0.26 0.00 0.00 57.72 59.29 2gdt n HIS 72 Cb 0.42 -3.21 -0.06 0.00 1.12 0.00 0.00 29.99 28.27 2gdt n HIS 72 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2gdt s LYS 73 N -3.17 2.49 0.44 -0.41 2.47 -1.26 -4.44 119.74 115.86 2gdt s LYS 73 Ca 0.00 -0.84 -0.24 0.00 -1.56 0.00 0.00 55.97 53.33 2gdt s LYS 73 Cb 0.00 -5.17 -0.08 0.00 -1.46 0.00 0.00 37.83 31.12 2gdt s LYS 73 CO 0.00 -3.80 1.23 0.08 0.16 0.00 0.00 175.35 173.02 2gdt s VAL 74 N 10.82 2.85 0.33 4.02 1.01 -1.26 -1.96 120.40 136.20 2gdt s VAL 74 Ca 0.69 0.69 0.03 0.00 0.00 0.00 0.00 61.98 63.40 2gdt s VAL 74 Cb -0.03 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2gdt s VAL 74 CO 0.08 0.04 0.08 0.68 0.00 0.00 0.00 175.10 175.98 2gdt s VAL 75 N -1.40 0.99 0.11 2.92 -7.23 -0.60 -3.93 120.40 111.26 2gdt s VAL 75 Ca 0.61 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2gdt s VAL 75 Cb -0.33 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2gdt s VAL 75 CO 0.41 0.00 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.57 2gdt s GLU 76 N -3.89 0.84 -0.21 4.82 0.41 -0.37 -4.22 118.70 116.08 2gdt s GLU 76 Ca 0.35 -1.36 -0.09 0.00 -0.41 0.00 0.00 54.97 53.46 2gdt s GLU 76 Cb 0.08 -0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.35 2gdt s GLU 76 CO 0.15 -0.10 0.11 -0.51 -0.49 0.00 0.00 175.26 174.41 2gdt s LEU 77 N -3.04 3.92 -0.08 1.80 1.43 -1.26 -3.16 118.68 118.28 2gdt s LEU 77 Ca 0.15 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2gdt s LEU 77 Cb 0.07 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.28 2gdt s LEU 77 CO -0.03 0.11 0.24 -0.69 0.23 0.00 0.00 176.35 176.20 2gdt s VAL 78 N 0.78 0.01 0.24 -1.59 1.01 -1.05 -5.04 120.40 114.76 2gdt s VAL 78 Ca 0.06 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.09 2gdt s VAL 78 Cb -0.13 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2gdt s VAL 78 CO 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 175.10 174.88 2gdt s ALA 79 N -0.02 2.60 -0.19 5.51 0.00 -1.26 0.10 121.76 128.49 2gdt s ALA 79 Ca -0.01 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 49.97 2gdt s ALA 79 Cb -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.88 2gdt s ALA 79 CO 0.01 0.32 0.57 -1.21 0.00 0.00 0.00 175.76 175.44 2gdt s GLU 80 N -3.19 0.70 -0.17 0.00 0.41 -0.83 -4.92 118.70 110.70 2gdt s GLU 80 Ca 0.26 0.69 0.17 0.00 -0.41 0.00 0.00 54.97 55.68 2gdt s GLU 80 Cb -0.06 0.34 0.47 0.00 -1.78 0.00 0.00 34.13 33.10 2gdt s GLU 80 CO 0.12 -0.11 1.35 0.00 -0.49 0.00 0.00 175.26 176.14 2gdt n MET 81 N 2.52 2.42 0.00 1.61 0.00 -1.26 -0.30 117.12 122.11 2gdt n MET 81 Ca -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 57.70 54.75 2gdt n MET 81 Cb 0.56 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 32.03 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 -0.80 0.00 -0.01 3.17 -0.08 -1.26 -4.78 116.55 112.79 2gdt n ASP 82 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2gdt n ASP 82 Cb 0.84 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.30 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2gdt n GLY 83 N -0.99 1.63 0.38 0.27 0.00 -1.26 -5.01 105.19 100.20 2gdt n GLY 83 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.35 -0.50 -4.44 -0.61 5.41 -1.26 -3.98 119.36 112.63 2gdt n ILE 84 Ca 0.00 2.31 -0.22 0.00 1.00 0.00 0.00 62.75 65.85 2gdt n ILE 84 Cb 0.08 -3.08 -0.10 0.00 -0.71 0.00 0.00 39.64 35.83 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 -5.99 1.57 0.00 0.38 -1.52 -1.26 -4.88 119.66 107.95 2gdt s GLN 85 Ca -0.14 -1.78 0.00 0.00 -1.95 0.00 0.00 55.36 51.49 2gdt s GLN 85 Cb 0.21 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.76 2gdt s GLN 85 CO 0.72 0.07 0.00 0.66 -0.25 0.00 0.00 175.29 176.49 2gdt n TYR 86 N -0.59 0.00 -1.56 0.91 4.01 -1.26 -4.93 117.16 113.74 2gdt n TYR 86 Ca -0.06 0.00 -0.55 0.00 -0.16 0.00 0.00 57.90 57.14 2gdt n TYR 86 Cb 0.63 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.19 3.48 2.72 0.00 -1.26 -1.22 105.19 109.11 2gdt n GLY 87 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 2.14 -0.58 -2.07 1.61 0.63 -1.26 -4.96 116.66 112.17 2gdt n ARG 88 Ca 0.19 0.13 -0.33 0.00 -0.92 0.00 0.00 57.85 56.92 2gdt n ARG 88 Cb 0.15 -4.21 0.01 0.00 0.45 0.00 0.00 32.46 28.86 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 -1.73 5.78 0.52 6.15 0.15 -0.35 -4.95 113.70 119.26 2gdt s SER 89 Ca 0.00 1.85 0.31 0.00 0.70 0.00 0.00 55.95 58.81 2gdt s SER 89 Cb 0.00 -2.54 1.22 0.00 -1.71 0.00 0.00 66.02 62.99 2gdt s SER 89 CO 0.00 -1.17 1.93 1.23 1.20 0.00 0.00 173.24 176.43 2gdt h GLY 90 N 0.52 0.00 2.00 9.45 0.00 -1.93 -0.71 103.07 112.40 2gdt h GLY 90 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2gdt h GLY 90 CO 0.57 0.00 -0.06 1.19 0.00 0.00 0.00 176.54 178.24 2gdt h ILE 91 N 0.00 0.44 -3.13 2.60 2.10 -1.92 -3.44 117.51 114.15 2gdt h ILE 91 Ca -0.00 -0.32 -0.62 0.00 1.08 0.00 0.00 64.86 64.99 2gdt h ILE 91 Cb 0.59 1.22 -0.12 0.00 -1.09 0.00 0.00 36.82 37.42 2gdt h ILE 91 CO 0.00 0.06 -0.51 -0.89 -1.08 0.00 0.00 178.15 175.73 2gdt s THR 92 N -4.27 5.20 -0.22 2.19 2.01 -0.27 -2.17 115.64 118.12 2gdt s THR 92 Ca -0.03 0.11 0.11 0.00 0.31 0.00 0.00 61.69 62.19 2gdt s THR 92 Cb 0.13 -3.33 -0.21 0.00 0.01 0.00 0.00 72.50 69.10 2gdt s THR 92 CO 0.55 0.50 -0.05 0.18 -0.69 0.00 0.00 174.62 175.11 2gdt n LEU 93 N 3.09 1.16 0.00 4.42 4.32 0.01 -4.77 117.00 125.24 2gdt n LEU 93 Ca -0.17 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 2gdt n LEU 93 Cb 0.53 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2gdt n LEU 93 CO 0.35 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.78 2gdt n GLY 94 N 1.98 0.63 3.58 -0.72 0.00 -1.26 -3.91 105.19 105.50 2gdt n GLY 94 Ca -0.37 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.14 3.55 0.52 1.61 1.01 0.48 -2.01 120.40 123.43 2gdt s VAL 95 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 2gdt s VAL 95 Cb 0.00 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2gdt s VAL 95 CO 0.00 0.35 0.99 -0.76 0.00 0.00 0.00 175.10 175.69 2gdt s LEU 96 N -1.52 3.60 0.02 3.92 2.01 0.50 -0.80 118.68 126.42 2gdt s LEU 96 Ca 0.17 1.58 -0.10 0.00 0.01 0.00 0.00 54.13 55.80 2gdt s LEU 96 Cb -0.11 -4.51 0.01 0.00 0.01 0.00 0.00 46.19 41.59 2gdt s LEU 96 CO 0.08 -0.64 0.21 0.68 1.01 0.00 0.00 176.35 177.69 2gdt s VAL 97 N -2.63 0.09 -0.41 -1.59 -7.23 -0.64 -4.54 120.40 103.45 2gdt s VAL 97 Ca 0.59 -0.77 -0.28 0.00 -1.81 0.00 0.00 61.98 59.71 2gdt s VAL 97 Cb -0.10 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 2gdt s VAL 97 CO 0.32 -0.42 1.72 -2.16 -0.31 0.00 0.00 175.10 174.26 2gdt s PRO 98 N -2.08 3.25 -0.04 4.82 0.04 -1.26 -0.84 135.00 138.88 2gdt s PRO 98 Ca -0.09 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 2gdt s PRO 98 Cb -0.03 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.26 2gdt s PRO 98 CO -0.01 -1.97 1.50 -1.58 0.04 0.00 0.00 177.00 174.98 2gdt s HIS 99 N 7.00 2.48 -0.24 0.56 2.46 -0.67 -4.85 115.29 122.02 2gdt s HIS 99 Ca 0.73 0.56 0.17 0.00 0.47 0.00 0.00 55.06 56.99 2gdt s HIS 99 Cb -0.18 -3.77 0.48 0.00 -0.13 0.00 0.00 32.58 28.98 2gdt s HIS 99 CO 0.31 -3.01 1.15 1.33 -2.47 0.00 0.00 174.74 172.05 2gdt n VAL 100 N 5.09 1.64 -0.51 0.89 0.24 -1.26 -4.63 118.33 119.79 2gdt n VAL 100 Ca 0.15 -3.18 0.00 0.00 -2.04 0.00 0.00 64.34 59.27 2gdt n VAL 100 Cb 0.43 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 -0.56 0.72 0.00 7.63 0.00 -1.26 -4.96 105.19 106.76 2gdt n GLY 101 Ca 0.21 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.51 0.32 -1.82 1.61 4.71 -1.26 -4.86 120.64 116.83 2gdt n GLU 102 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2gdt n GLU 102 Cb 0.00 -1.47 -0.01 0.00 -1.01 0.00 0.00 31.44 28.94 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2gdt n THR 103 N -0.97 -6.94 -1.27 2.62 -1.04 -1.26 -4.89 114.28 100.52 2gdt n THR 103 Ca 0.07 1.19 -0.29 0.00 -2.04 0.00 0.00 64.05 62.98 2gdt n THR 103 Cb 0.03 -4.60 0.16 0.00 -1.82 0.00 0.00 70.33 64.10 2gdt n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gdt s PRO 104 N -1.04 0.83 -0.01 -2.82 0.04 -1.26 -4.68 135.00 126.05 2gdt s PRO 104 Ca -0.08 0.54 0.04 0.00 0.04 0.00 0.00 61.00 61.53 2gdt s PRO 104 Cb 0.01 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2gdt s PRO 104 CO 0.23 -2.47 0.07 0.44 0.04 0.00 0.00 177.00 175.31 2gdt n ILE 105 N -4.00 0.04 -3.75 0.56 -0.00 -0.47 -5.00 119.36 106.74 2gdt n ILE 105 Ca 0.06 -0.09 -0.09 0.00 -0.00 0.00 0.00 62.75 62.63 2gdt n ILE 105 Cb 0.57 0.21 0.01 0.00 -0.00 0.00 0.00 39.64 40.43 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 -1.71 -1.05 -2.42 -1.28 0.00 -1.22 -5.02 120.51 107.81 2gdt n ALA 106 Ca -0.01 -1.13 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 2gdt n ALA 106 Cb 0.18 0.90 -0.11 0.00 0.00 0.00 0.00 19.45 20.42 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 -3.43 1.45 0.01 0.00 1.51 -1.26 -0.13 117.35 115.49 2gdt s TYR 107 Ca 0.16 -0.59 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 2gdt s TYR 107 Cb -0.03 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 2gdt s TYR 107 CO 0.12 0.18 -0.11 0.50 -1.11 0.00 0.00 175.55 175.13 2gdt s ARG 108 N -3.03 0.86 -0.01 -0.62 6.06 0.39 -4.84 118.95 117.75 2gdt s ARG 108 Ca 0.13 -0.50 0.03 0.00 -2.50 0.00 0.00 55.73 52.89 2gdt s ARG 108 Cb -0.03 -0.83 -0.01 0.00 0.06 0.00 0.00 34.95 34.15 2gdt s ARG 108 CO 0.03 0.22 -0.11 -0.80 -2.50 0.00 0.00 175.30 172.14 2gdt s ASN 109 N -0.55 1.30 0.34 -2.12 0.01 -1.26 -0.50 114.94 112.14 2gdt s ASN 109 Ca 0.03 -0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 51.97 2gdt s ASN 109 Cb -0.05 -0.20 -0.00 0.00 0.41 0.00 0.00 41.25 41.40 2gdt s ASN 109 CO 0.00 0.12 0.43 0.68 -1.51 0.00 0.00 177.10 176.82 2gdt s VAL 110 N -0.15 0.00 0.21 1.60 -7.23 -0.04 -5.00 120.40 109.79 2gdt s VAL 110 Ca 0.02 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 2gdt s VAL 110 Cb -0.05 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2gdt s VAL 110 CO -0.00 0.00 0.14 -0.76 -0.31 0.00 0.00 175.10 174.17 2gdt s LEU 111 N -3.26 3.73 -0.02 1.32 2.01 -0.83 -1.02 118.68 120.61 2gdt s LEU 111 Ca 0.33 -0.24 0.05 0.00 0.01 0.00 0.00 54.13 54.28 2gdt s LEU 111 Cb 0.00 -2.31 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 2gdt s LEU 111 CO 0.21 0.02 -0.18 -0.22 1.01 0.00 0.00 176.35 177.20 2gdt s LEU 112 N -3.45 2.55 0.00 1.79 0.20 0.56 -1.55 118.68 118.78 2gdt s LEU 112 Ca 0.31 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.82 2gdt s LEU 112 Cb -0.09 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.12 2gdt s LEU 112 CO 0.23 0.32 2.07 -1.14 -0.29 0.00 0.00 176.35 177.54 2gdt n ARG 113 N 2.17 1.06 0.00 1.98 0.63 -1.26 -1.48 116.66 119.77 2gdt n ARG 113 Ca -0.17 -0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.58 2gdt n ARG 113 Cb 0.52 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.19 2gdt n ARG 113 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2gdt n LYS 114 N 1.77 0.00 0.00 -0.14 5.02 -1.26 -4.89 118.16 118.65 2gdt n LYS 114 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2gdt n LYS 114 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2gdt n LYS 114 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gdt n ASN 115 N -3.39 0.00 -0.75 4.39 3.02 -1.26 -5.07 115.26 112.20 2gdt n ASN 115 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 2gdt n ASN 115 Cb 0.00 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25