#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdt s ALA 4 N 0.00 0.91 0.77 7.82 0.00 -1.26 -5.01 121.76 124.99 3gdt s ALA 4 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 3gdt s ALA 4 Cb 0.00 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.21 3gdt s ALA 4 CO 0.00 -3.17 1.08 0.95 0.00 0.00 0.00 175.76 174.62 3gdt s THR 5 N -3.08 3.38 0.23 0.00 -4.23 -1.26 -4.83 115.64 105.85 3gdt s THR 5 Ca 0.69 0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 61.57 3gdt s THR 5 Cb -0.13 -3.17 0.21 0.00 1.34 0.00 0.00 72.50 70.75 3gdt s THR 5 CO 0.56 -0.59 1.90 1.88 -0.54 0.00 0.00 174.62 177.83 3gdt h TYR 6 N -0.99 1.10 -0.36 3.99 0.05 -1.95 -0.84 116.97 117.97 3gdt h TYR 6 Ca -0.46 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.38 3gdt h TYR 6 Cb 1.25 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 3gdt h TYR 6 CO 0.52 0.67 0.17 -0.22 -1.05 0.00 0.00 178.16 178.25 3gdt h LYS 7 N 1.17 0.34 -0.62 4.88 3.64 -1.93 -1.34 116.57 122.71 3gdt h LYS 7 Ca 0.33 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 3gdt h LYS 7 Cb -0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3gdt h LYS 7 CO -0.08 0.22 0.24 0.93 -2.27 0.00 0.00 179.45 178.49 3gdt h GLU 8 N 0.35 0.93 -0.29 1.90 5.08 -1.81 -2.84 114.58 117.89 3gdt h GLU 8 Ca 0.15 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3gdt h GLU 8 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3gdt h GLU 8 CO -0.12 0.79 -0.03 0.00 -1.00 0.00 0.00 179.01 178.66 3gdt h ARG 9 N 0.87 0.46 -0.25 2.33 3.08 -0.80 -2.53 114.38 117.54 3gdt h ARG 9 Ca 0.21 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3gdt h ARG 9 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3gdt h ARG 9 CO -0.02 0.51 -0.26 0.00 -1.07 0.00 0.00 179.97 179.13 3gdt h ALA 10 N 1.54 1.09 0.00 0.04 0.00 -1.03 -2.05 119.26 118.85 3gdt h ALA 10 Ca 0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3gdt h ALA 10 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gdt h ALA 10 CO 0.01 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 3gdt h ALA 11 N 1.30 1.05 -0.03 0.00 0.00 -1.24 -3.27 119.26 117.06 3gdt h ALA 11 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gdt h ALA 11 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gdt h ALA 11 CO 0.05 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.79 3gdt n THR 12 N -3.39 0.26 -2.50 0.00 -2.24 -1.16 -5.04 114.28 100.21 3gdt n THR 12 Ca -0.00 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.73 3gdt n THR 12 Cb 0.40 0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 3gdt n THR 12 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gdt s HIS 13 N -0.44 3.56 0.18 4.78 2.46 -0.78 -4.94 115.29 120.11 3gdt s HIS 13 Ca 0.04 1.53 0.31 0.00 0.47 0.00 0.00 55.06 57.41 3gdt s HIS 13 Cb 0.03 -3.30 1.32 0.00 -0.13 0.00 0.00 32.58 30.49 3gdt s HIS 13 CO 0.04 -0.74 1.98 -1.00 -2.47 0.00 0.00 174.74 172.54 3gdt h PRO 14 N 5.66 0.00 -5.36 2.88 0.13 -1.91 -3.43 132.00 129.96 3gdt h PRO 14 Ca -0.43 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 3gdt h PRO 14 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3gdt h PRO 14 CO 0.75 0.08 -0.14 0.45 -0.23 0.00 0.00 178.00 178.90 3gdt s SER 15 N -5.85 6.41 0.43 1.44 0.15 -1.26 -4.84 113.70 110.19 3gdt s SER 15 Ca 0.00 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.24 3gdt s SER 15 Cb 0.10 -2.25 0.95 0.00 -1.71 0.00 0.00 66.02 63.11 3gdt s SER 15 CO 0.57 -0.16 2.05 -0.65 1.20 0.00 0.00 173.24 176.24 3gdt h PRO 16 N 7.70 0.33 -0.17 5.44 0.11 -1.84 -0.02 132.00 143.55 3gdt h PRO 16 Ca -0.33 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 3gdt h PRO 16 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gdt h PRO 16 CO 0.70 0.27 -0.29 0.28 -0.21 0.00 0.00 178.00 178.75 3gdt h VAL 17 N 0.33 1.35 -0.58 3.15 2.07 -1.90 -1.27 116.25 119.39 3gdt h VAL 17 Ca 0.08 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 3gdt h VAL 17 Cb 0.06 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3gdt h VAL 17 CO -0.01 0.46 -0.00 0.00 0.02 0.00 0.00 177.57 178.04 3gdt h ALA 18 N 0.58 0.90 -0.51 1.67 0.00 -1.86 -0.31 119.26 119.73 3gdt h ALA 18 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gdt h ALA 18 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3gdt h ALA 18 CO 0.07 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.20 3gdt h ALA 19 N 1.06 0.66 -0.50 0.00 0.00 -0.98 0.22 119.26 119.73 3gdt h ALA 19 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gdt h ALA 19 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gdt h ALA 19 CO 0.03 0.24 0.27 -0.22 0.00 0.00 0.00 179.25 179.57 3gdt h LYS 20 N 0.69 0.69 -0.23 0.00 3.64 -0.90 -1.74 116.57 118.72 3gdt h LYS 20 Ca 0.17 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3gdt h LYS 20 Cb 0.15 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3gdt h LYS 20 CO -0.02 0.55 0.07 1.25 -2.27 0.00 0.00 179.45 179.03 3gdt h LEU 21 N 0.66 0.33 -1.22 5.20 5.85 -0.70 -1.53 115.31 123.90 3gdt h LEU 21 Ca 0.17 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3gdt h LEU 21 Cb 0.06 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3gdt h LEU 21 CO -0.03 0.45 0.53 -0.26 -0.34 0.00 0.00 178.44 178.79 3gdt h PHE 22 N 0.20 1.00 -0.42 1.25 0.04 -0.84 -0.91 116.94 117.26 3gdt h PHE 22 Ca 0.07 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.74 3gdt h PHE 22 Cb 0.24 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3gdt h PHE 22 CO 0.00 0.63 -0.24 -0.91 -0.60 0.00 0.00 178.31 177.20 3gdt h ASN 23 N 1.08 0.88 -0.59 2.17 -0.26 -1.13 -1.81 115.58 115.91 3gdt h ASN 23 Ca 0.29 -0.33 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 3gdt h ASN 23 Cb -0.12 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 36.87 3gdt h ASN 23 CO -0.07 1.07 0.31 0.40 -1.06 0.00 0.00 177.43 178.09 3gdt h ILE 24 N 0.74 1.20 -0.38 2.81 2.04 -0.56 -0.12 117.51 123.24 3gdt h ILE 24 Ca 0.10 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3gdt h ILE 24 Cb 0.78 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3gdt h ILE 24 CO 0.06 0.22 0.25 0.24 0.00 0.00 0.00 178.15 178.92 3gdt h MET 25 N 0.80 0.50 -0.02 2.37 2.86 -0.98 -0.61 114.93 119.85 3gdt h MET 25 Ca 0.21 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3gdt h MET 25 Cb 0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 3gdt h MET 25 CO -0.03 0.34 0.00 1.25 1.06 0.00 0.00 176.91 179.53 3gdt h HIS 26 N 0.51 0.04 -0.44 -0.22 -0.00 -1.08 0.56 115.15 114.53 3gdt h HIS 26 Ca 0.14 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 3gdt h HIS 26 Cb -0.05 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3gdt h HIS 26 CO -0.05 0.31 0.08 0.93 -0.00 0.00 0.00 177.93 179.20 3gdt h GLU 27 N -0.23 0.66 -0.03 5.26 5.08 -0.91 -2.85 114.58 121.56 3gdt h GLU 27 Ca 0.01 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3gdt h GLU 27 Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gdt h GLU 27 CO 0.00 0.62 -0.12 1.63 -1.00 0.00 0.00 179.01 180.15 3gdt n LYS 28 N -4.29 2.03 -3.65 2.33 5.02 -0.24 -4.98 118.16 114.38 3gdt n LYS 28 Ca 0.03 -1.67 -0.22 0.00 -2.02 0.00 0.00 58.31 54.42 3gdt n LYS 28 Cb 0.22 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 3gdt n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdt n GLN 29 N 0.98 -3.92 -3.80 1.97 6.02 0.08 -5.00 117.38 113.71 3gdt n GLN 29 Ca 0.13 0.62 -0.13 0.00 -0.01 0.00 0.00 57.00 57.61 3gdt n GLN 29 Cb 0.56 -5.06 -0.11 0.00 1.02 0.00 0.00 30.24 26.65 3gdt n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdt s THR 30 N -3.60 0.02 -0.10 5.09 -1.32 -0.53 -4.82 115.64 110.37 3gdt s THR 30 Ca 0.14 -0.15 0.15 0.00 -1.21 0.00 0.00 61.69 60.61 3gdt s THR 30 Cb -0.04 -0.40 0.32 0.00 -1.51 0.00 0.00 72.50 70.87 3gdt s THR 30 CO 0.81 -0.08 1.15 -0.46 -2.21 0.00 0.00 174.62 173.83 3gdt n ASN 31 N 2.53 1.40 -4.76 8.08 0.23 -1.26 -4.30 115.26 117.18 3gdt n ASN 31 Ca -0.15 -2.91 -0.37 0.00 -0.53 0.00 0.00 54.58 50.61 3gdt n ASN 31 Cb 0.58 -0.39 -0.06 0.00 -2.08 0.00 0.00 39.78 37.82 3gdt n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdt s LEU 32 N -1.81 4.31 -0.13 -4.53 2.96 -1.26 -1.31 118.68 116.91 3gdt s LEU 32 Ca 0.29 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 3gdt s LEU 32 Cb 0.29 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.48 3gdt s LEU 32 CO -0.06 0.13 -0.20 0.00 -1.32 0.00 0.00 176.35 174.90 3gdt s ALA 34 N 0.56 3.57 -0.45 0.00 0.00 -0.70 -1.37 121.76 123.38 3gdt s ALA 34 Ca -0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 3gdt s ALA 34 Cb -0.17 -2.58 0.09 0.00 0.00 0.00 0.00 23.12 20.47 3gdt s ALA 34 CO 0.04 -0.26 0.32 0.45 0.00 0.00 0.00 175.76 176.30 3gdt s SER 35 N 1.01 5.79 -0.21 0.00 0.15 0.08 -0.08 113.70 120.44 3gdt s SER 35 Ca 0.17 -1.56 -0.07 0.00 0.70 0.00 0.00 55.95 55.20 3gdt s SER 35 Cb -0.14 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 3gdt s SER 35 CO 0.07 -0.61 0.05 -0.76 1.20 0.00 0.00 173.24 173.19 3gdt s LEU 36 N 1.47 3.52 -0.54 3.45 1.43 -0.77 -4.36 118.68 122.89 3gdt s LEU 36 Ca 0.04 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3gdt s LEU 36 Cb -0.24 -1.91 0.34 0.00 0.03 0.00 0.00 46.19 44.41 3gdt s LEU 36 CO 0.03 0.07 0.91 -0.90 0.23 0.00 0.00 176.35 176.69 3gdt n ASP 37 N 4.20 3.82 -4.95 2.29 5.75 -1.26 -3.62 116.55 122.78 3gdt n ASP 37 Ca -0.16 -3.56 -0.23 0.00 -0.01 0.00 0.00 54.79 50.82 3gdt n ASP 37 Cb 0.52 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3gdt n ASP 37 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3gdt s VAL 38 N -4.11 4.64 -0.26 2.12 -7.23 -1.26 -5.03 120.40 109.27 3gdt s VAL 38 Ca 0.47 -0.50 0.20 0.00 -1.81 0.00 0.00 61.98 60.34 3gdt s VAL 38 Cb 0.29 -3.70 0.09 0.00 0.56 0.00 0.00 36.38 33.63 3gdt s VAL 38 CO -0.13 -0.46 1.26 0.03 -0.31 0.00 0.00 175.10 175.49 3gdt h ARG 39 N 0.62 0.00 -6.60 4.82 3.08 -1.97 -3.38 114.38 110.95 3gdt h ARG 39 Ca -0.48 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 58.92 3gdt h ARG 39 Cb 1.23 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.05 3gdt h ARG 39 CO 0.59 0.16 -0.86 0.95 -1.07 0.00 0.00 179.97 179.75 3gdt s THR 40 N -3.15 2.03 0.31 2.04 -4.23 -1.26 -0.22 115.64 111.16 3gdt s THR 40 Ca 0.02 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3gdt s THR 40 Cb 0.08 -1.79 0.22 0.00 1.34 0.00 0.00 72.50 72.35 3gdt s THR 40 CO 0.75 0.14 1.93 0.74 -0.54 0.00 0.00 174.62 177.64 3gdt h THR 41 N 4.07 1.20 -0.18 3.99 2.02 -1.91 -1.83 112.91 120.28 3gdt h THR 41 Ca -0.48 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.21 3gdt h THR 41 Cb 1.16 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3gdt h THR 41 CO 0.41 0.22 0.06 0.50 0.37 0.00 0.00 175.52 177.08 3gdt h LYS 42 N 0.90 0.14 -0.62 6.66 3.64 -1.95 0.21 116.57 125.55 3gdt h LYS 42 Ca 0.23 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3gdt h LYS 42 Cb 0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3gdt h LYS 42 CO -0.04 0.09 0.09 1.49 -2.27 0.00 0.00 179.45 178.81 3gdt h GLU 43 N 0.14 1.04 0.07 1.90 4.81 -1.92 -2.27 114.58 118.35 3gdt h GLU 43 Ca 0.08 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3gdt h GLU 43 Cb 0.05 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3gdt h GLU 43 CO -0.08 0.98 -0.15 1.25 -0.73 0.00 0.00 179.01 180.28 3gdt h LEU 44 N 0.95 -0.41 -1.37 1.64 5.85 -0.89 -1.22 115.31 119.85 3gdt h LEU 44 Ca 0.19 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3gdt h LEU 44 Cb 0.45 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3gdt h LEU 44 CO 0.01 -0.22 0.33 -0.07 -0.34 0.00 0.00 178.44 178.16 3gdt h LEU 45 N -0.28 0.67 -0.06 2.25 3.38 -0.88 -0.12 115.31 120.25 3gdt h LEU 45 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gdt h LEU 45 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gdt h LEU 45 CO -0.09 0.52 0.01 -0.33 0.09 0.00 0.00 178.44 178.64 3gdt h GLU 46 N 0.77 0.10 -0.62 1.13 5.08 -0.99 -2.00 114.58 118.05 3gdt h GLU 46 Ca 0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3gdt h GLU 46 Cb -0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3gdt h GLU 46 CO -0.04 0.31 0.34 -0.07 -1.00 0.00 0.00 179.01 178.56 3gdt h LEU 47 N -0.13 0.78 -0.91 1.33 3.38 -0.81 -2.11 115.31 116.85 3gdt h LEU 47 Ca 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3gdt h LEU 47 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3gdt h LEU 47 CO 0.00 0.65 0.26 0.58 0.09 0.00 0.00 178.44 180.02 3gdt h VAL 48 N 0.85 1.25 -0.40 1.22 2.07 -0.99 0.72 116.25 120.96 3gdt h VAL 48 Ca 0.22 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3gdt h VAL 48 Cb 0.05 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3gdt h VAL 48 CO -0.03 0.32 0.20 -0.08 0.02 0.00 0.00 177.57 178.00 3gdt h GLU 49 N 1.03 0.57 -0.54 1.57 4.57 -1.07 0.48 114.58 121.19 3gdt h GLU 49 Ca 0.24 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 3gdt h GLU 49 Cb 0.23 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3gdt h GLU 49 CO -0.02 0.48 -0.06 0.00 -1.18 0.00 0.00 179.01 178.24 3gdt h ALA 50 N 1.06 0.88 0.00 2.92 0.00 -0.95 -3.21 119.26 119.96 3gdt h ALA 50 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gdt h ALA 50 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gdt h ALA 50 CO -0.02 0.65 -0.64 -0.07 0.00 0.00 0.00 179.25 179.17 3gdt h LEU 51 N 0.88 0.00 -0.96 0.00 3.38 -0.64 -3.40 115.31 114.56 3gdt h LEU 51 Ca 0.15 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.27 3gdt h LEU 51 Cb 0.59 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.18 3gdt h LEU 51 CO 0.04 0.00 -0.36 0.61 0.09 0.00 0.00 178.44 178.82 3gdt n GLY 52 N 1.15 -1.93 0.29 0.83 0.00 0.17 -0.86 105.19 104.84 3gdt n GLY 52 Ca 0.01 1.07 0.19 0.00 0.00 0.00 0.00 46.02 47.30 3gdt n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdt h PRO 53 N 0.00 0.00 -0.02 1.61 0.11 -1.81 -3.16 132.00 128.74 3gdt h PRO 53 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3gdt h PRO 53 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3gdt h PRO 53 CO -0.96 0.00 -0.03 1.63 -0.21 0.00 0.00 178.00 178.43 3gdt n LYS 54 N -2.96 1.36 -4.43 1.05 5.02 -0.04 -5.01 118.16 113.15 3gdt n LYS 54 Ca -0.01 -1.45 -0.24 0.00 -2.02 0.00 0.00 58.31 54.59 3gdt n LYS 54 Cb 0.16 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 3gdt n LYS 54 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3gdt s ILE 55 N -1.44 2.67 -0.24 -0.18 -4.36 -1.10 -4.59 121.20 111.96 3gdt s ILE 55 Ca 0.19 -2.27 0.14 0.00 -0.26 0.00 0.00 60.65 58.45 3gdt s ILE 55 Cb 0.14 -2.39 -0.19 0.00 1.25 0.00 0.00 42.46 41.27 3gdt s ILE 55 CO 0.22 -0.37 0.40 0.00 0.24 0.00 0.00 174.94 175.43 3gdt s LEU 57 N -3.47 0.10 -0.15 0.00 2.96 -1.22 -1.97 118.68 114.92 3gdt s LEU 57 Ca -0.01 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 3gdt s LEU 57 Cb 0.09 1.74 -0.00 0.00 0.50 0.00 0.00 46.19 48.52 3gdt s LEU 57 CO 0.56 -0.22 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.99 3gdt s LEU 58 N 0.06 2.45 -0.37 -0.68 2.96 -0.32 -1.72 118.68 121.06 3gdt s LEU 58 Ca -0.02 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 3gdt s LEU 58 Cb -0.03 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.11 3gdt s LEU 58 CO 0.01 0.09 0.24 -0.75 -1.32 0.00 0.00 176.35 174.62 3gdt s LYS 59 N 0.79 3.09 0.49 1.98 2.20 0.88 -0.70 119.74 128.47 3gdt s LYS 59 Ca -0.06 -0.92 -0.03 0.00 -0.36 0.00 0.00 55.97 54.60 3gdt s LYS 59 Cb -0.15 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 3gdt s LYS 59 CO 0.00 -0.63 0.76 0.95 -0.36 0.00 0.00 175.35 176.08 3gdt s THR 60 N 1.64 4.26 -0.43 3.43 -4.23 0.26 -1.84 115.64 118.73 3gdt s THR 60 Ca 0.04 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 3gdt s THR 60 Cb -0.18 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.25 3gdt s THR 60 CO 0.09 -0.54 0.47 1.41 -0.54 0.00 0.00 174.62 175.50 3gdt n HIS 61 N -2.26 -0.12 0.23 3.99 8.25 -1.24 -1.04 115.22 123.04 3gdt n HIS 61 Ca 0.01 -3.54 0.07 0.00 -0.26 0.00 0.00 57.72 54.00 3gdt n HIS 61 Cb 0.57 -0.15 0.55 0.00 1.12 0.00 0.00 29.99 32.08 3gdt n HIS 61 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 3gdt h VAL 62 N 3.15 1.05 0.00 1.59 -1.51 -1.96 -2.86 116.25 115.72 3gdt h VAL 62 Ca 0.16 -0.51 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 3gdt h VAL 62 Cb 0.87 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3gdt h VAL 62 CO 0.47 0.14 -0.05 0.44 -1.23 0.00 0.00 177.57 177.34 3gdt h ASP 63 N 0.00 0.00 0.23 4.19 3.32 -1.99 -2.32 116.42 119.85 3gdt h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gdt h ASP 63 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3gdt h ASP 63 CO 0.02 0.05 -0.55 2.30 -1.72 0.00 0.00 179.24 179.34 3gdt n ILE 64 N -3.39 0.00 -2.16 0.35 -5.35 -1.08 -4.91 119.36 102.81 3gdt n ILE 64 Ca -0.02 -0.07 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 3gdt n ILE 64 Cb 0.19 0.63 -0.02 0.00 -1.74 0.00 0.00 39.64 38.69 3gdt n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdt s LEU 65 N -2.79 4.44 0.00 7.28 1.43 -0.88 -4.58 118.68 123.58 3gdt s LEU 65 Ca 0.15 2.59 0.24 0.00 -1.03 0.00 0.00 54.13 56.08 3gdt s LEU 65 Cb 0.18 -3.64 0.32 0.00 0.03 0.00 0.00 46.19 43.08 3gdt s LEU 65 CO 0.67 -0.50 1.29 0.35 0.23 0.00 0.00 176.35 178.38 3gdt n THR 66 N 1.29 0.00 -2.73 5.49 -2.24 0.69 -4.40 114.28 112.39 3gdt n THR 66 Ca 0.02 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 3gdt n THR 66 Cb 0.42 0.58 0.05 0.00 -2.10 0.00 0.00 70.33 69.28 3gdt n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdt n ASP 67 N -1.15 1.82 -4.77 3.42 5.68 -1.26 -5.09 116.55 115.20 3gdt n ASP 67 Ca 0.07 -2.19 -0.40 0.00 -0.50 0.00 0.00 54.79 51.77 3gdt n ASP 67 Cb 0.35 -0.45 0.01 0.00 -1.14 0.00 0.00 41.12 39.89 3gdt n ASP 67 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3gdt s PHE 68 N -3.47 2.56 -0.15 2.11 5.36 -1.26 -4.77 117.98 118.36 3gdt s PHE 68 Ca 0.30 1.26 -0.25 0.00 -0.96 0.00 0.00 56.93 57.28 3gdt s PHE 68 Cb 0.33 -3.91 0.06 0.00 -0.34 0.00 0.00 43.02 39.17 3gdt s PHE 68 CO -0.04 -2.81 0.63 -1.12 -1.46 0.00 0.00 175.22 170.42 3gdt s SER 69 N -0.44 -0.63 0.15 6.13 0.01 -1.26 -4.97 113.70 112.69 3gdt s SER 69 Ca 0.58 0.99 -0.13 0.00 1.31 0.00 0.00 55.95 58.70 3gdt s SER 69 Cb -0.44 0.95 0.02 0.00 0.21 0.00 0.00 66.02 66.76 3gdt s SER 69 CO 0.57 -0.39 1.62 0.24 0.41 0.00 0.00 173.24 175.70 3gdt h MET 70 N 4.23 0.82 -0.13 12.44 2.86 -1.95 0.30 114.93 133.51 3gdt h MET 70 Ca -0.28 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 56.96 3gdt h MET 70 Cb 1.16 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.73 3gdt h MET 70 CO 0.23 0.84 -0.59 0.93 1.06 0.00 0.00 176.91 179.38 3gdt h GLU 71 N 0.69 0.62 0.00 1.72 4.39 -1.96 -0.26 114.58 119.78 3gdt h GLU 71 Ca 0.15 -0.50 -0.13 0.00 0.34 0.00 0.00 59.36 59.22 3gdt h GLU 71 Cb 0.43 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3gdt h GLU 71 CO 0.01 1.12 -1.24 0.78 -1.16 0.00 0.00 179.01 178.53 3gdt h GLY 72 N 0.27 0.00 0.00 -3.84 0.00 -1.94 -3.38 103.07 94.18 3gdt h GLY 72 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3gdt h GLY 72 CO 0.12 0.00 -0.69 2.41 0.00 0.00 0.00 176.54 178.38 3gdt n THR 73 N -2.89 1.40 -0.07 4.70 -1.04 0.10 -4.59 114.28 111.89 3gdt n THR 73 Ca -0.07 0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 62.05 3gdt n THR 73 Cb 0.78 -2.08 -0.05 0.00 -1.82 0.00 0.00 70.33 67.16 3gdt n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdt h VAL 74 N -0.66 1.23 -0.08 12.58 2.07 -1.30 -2.40 116.25 127.69 3gdt h VAL 74 Ca -0.01 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3gdt h VAL 74 Cb 0.68 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3gdt h VAL 74 CO -0.01 0.23 -0.29 0.50 0.02 0.00 0.00 177.57 178.03 3gdt h LYS 75 N 0.15 -0.37 -0.29 1.57 3.64 -1.21 0.75 116.57 120.80 3gdt h LYS 75 Ca 0.06 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3gdt h LYS 75 Cb 0.32 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3gdt h LYS 75 CO 0.00 -0.25 -0.04 -1.35 -2.27 0.00 0.00 179.45 175.55 3gdt h PRO 76 N -0.39 0.46 -0.47 1.90 0.11 -1.76 -2.00 132.00 129.85 3gdt h PRO 76 Ca 0.08 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 3gdt h PRO 76 Cb 0.51 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3gdt h PRO 76 CO -0.30 0.52 0.11 1.25 -0.21 0.00 0.00 178.00 179.37 3gdt h LEU 77 N 0.44 0.71 -0.93 2.35 5.85 -0.82 -0.73 115.31 122.18 3gdt h LEU 77 Ca 0.09 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3gdt h LEU 77 Cb 0.35 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3gdt h LEU 77 CO 0.01 0.76 -0.02 0.11 -0.34 0.00 0.00 178.44 178.96 3gdt h LYS 78 N 0.63 0.76 -0.52 1.25 1.79 -0.56 -0.43 116.57 119.50 3gdt h LYS 78 Ca 0.15 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3gdt h LYS 78 Cb 0.33 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 3gdt h LYS 78 CO 0.00 0.79 0.19 0.00 -1.08 0.00 0.00 179.45 179.35 3gdt h ALA 79 N 1.27 0.67 -0.68 3.86 0.00 -0.97 -1.04 119.26 122.37 3gdt h ALA 79 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3gdt h ALA 79 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3gdt h ALA 79 CO 0.02 0.30 0.12 -0.07 0.00 0.00 0.00 179.25 179.62 3gdt h LEU 80 N 0.70 1.07 -0.73 0.00 3.38 -0.82 0.42 115.31 119.32 3gdt h LEU 80 Ca 0.17 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gdt h LEU 80 Cb 0.23 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3gdt h LEU 80 CO -0.01 1.05 0.46 -1.28 0.09 0.00 0.00 178.44 178.75 3gdt h SER 81 N 1.04 0.77 -0.10 -0.43 0.87 -0.71 0.22 113.55 115.21 3gdt h SER 81 Ca 0.21 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 3gdt h SER 81 Cb 0.43 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3gdt h SER 81 CO 0.01 0.54 -0.68 0.00 -0.53 0.00 0.00 176.83 176.17 3gdt h ALA 82 N 1.30 0.21 -0.23 6.23 0.00 -0.94 -0.60 119.26 125.23 3gdt h ALA 82 Ca 0.28 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gdt h ALA 82 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gdt h ALA 82 CO -0.10 0.53 0.07 -0.22 0.00 0.00 0.00 179.25 179.53 3gdt h LYS 83 N 0.28 0.36 -0.01 0.00 3.64 -0.64 -3.24 116.57 116.96 3gdt h LYS 83 Ca -0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3gdt h LYS 83 Cb 1.33 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3gdt h LYS 83 CO 0.14 0.44 -0.42 0.66 -2.27 0.00 0.00 179.45 178.01 3gdt n TYR 84 N -4.77 0.00 -2.81 1.91 4.01 0.04 -5.02 117.16 110.52 3gdt n TYR 84 Ca -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.70 3gdt n TYR 84 Cb 0.15 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3gdt n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gdt n ASN 85 N -0.47 -6.93 -3.84 7.72 5.15 -0.28 -4.67 115.26 111.94 3gdt n ASN 85 Ca 0.10 -0.02 -0.09 0.00 -0.60 0.00 0.00 54.58 53.97 3gdt n ASN 85 Cb 0.40 -4.66 -0.07 0.00 -0.53 0.00 0.00 39.78 34.91 3gdt n ASN 85 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3gdt s PHE 86 N -2.95 0.12 0.38 1.20 -0.12 -0.93 -4.84 117.98 110.84 3gdt s PHE 86 Ca 0.02 -0.51 0.06 0.00 -0.05 0.00 0.00 56.93 56.44 3gdt s PHE 86 Cb -0.00 -0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.35 3gdt s PHE 86 CO 0.64 -0.54 0.54 -0.51 -0.05 0.00 0.00 175.22 175.30 3gdt s LEU 87 N -2.75 3.81 -0.14 -1.99 1.43 -0.83 -4.68 118.68 113.54 3gdt s LEU 87 Ca 0.03 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3gdt s LEU 87 Cb 0.04 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3gdt s LEU 87 CO -0.10 -0.59 -0.06 -0.76 0.23 0.00 0.00 176.35 175.07 3gdt s LEU 88 N -4.31 3.14 -0.20 1.79 1.43 -1.26 -1.18 118.68 118.10 3gdt s LEU 88 Ca 0.48 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3gdt s LEU 88 Cb -0.10 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.43 3gdt s LEU 88 CO 0.33 0.19 -0.06 0.12 0.23 0.00 0.00 176.35 177.16 3gdt s PHE 89 N 0.21 2.07 0.04 0.29 5.36 0.13 -1.06 117.98 125.01 3gdt s PHE 89 Ca -0.03 -1.41 -0.19 0.00 -0.96 0.00 0.00 56.93 54.33 3gdt s PHE 89 Cb -0.14 -1.47 -0.06 0.00 -0.34 0.00 0.00 43.02 41.01 3gdt s PHE 89 CO 0.03 -0.70 0.55 -2.00 -1.46 0.00 0.00 175.22 171.64 3gdt s GLU 90 N 1.51 4.20 0.19 10.12 2.56 -0.91 -0.57 118.70 135.79 3gdt s GLU 90 Ca -0.02 0.68 -0.12 0.00 0.00 0.00 0.00 54.97 55.51 3gdt s GLU 90 Cb -0.17 -3.27 0.14 0.00 2.00 0.00 0.00 34.13 32.83 3gdt s GLU 90 CO -0.07 0.57 1.82 -0.97 -0.56 0.00 0.00 175.26 176.04 3gdt h ASN 91 N 4.90 0.56 0.00 -1.70 -1.24 -1.44 -3.39 115.58 113.27 3gdt h ASN 91 Ca -0.49 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.36 3gdt h ASN 91 Cb 1.21 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 3gdt h ASN 91 CO 0.65 0.39 0.32 -1.14 -1.29 0.00 0.00 177.43 176.36 3gdt n ARG 92 N -4.76 0.00 -2.87 6.67 3.00 -1.26 -4.76 116.66 112.67 3gdt n ARG 92 Ca 0.05 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.47 3gdt n ARG 92 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 32.46 32.18 3gdt n ARG 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3gdt s LYS 93 N 1.46 3.77 0.31 -0.14 1.02 -1.26 -4.30 119.74 120.60 3gdt s LYS 93 Ca 0.28 -1.96 -0.29 0.00 0.02 0.00 0.00 55.97 54.02 3gdt s LYS 93 Cb -0.34 -5.05 -0.12 0.00 -0.52 0.00 0.00 37.83 31.80 3gdt s LYS 93 CO 0.15 -1.85 1.39 1.19 -0.92 0.00 0.00 175.35 175.31 3gdt n PHE 94 N 6.64 2.40 -2.71 3.18 3.72 -1.08 -4.74 117.46 124.86 3gdt n PHE 94 Ca 0.30 0.46 -0.08 0.00 -0.05 0.00 0.00 57.45 58.08 3gdt n PHE 94 Cb 0.47 -2.47 0.08 0.00 -0.94 0.00 0.00 39.48 36.62 3gdt n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gdt n ALA 95 N 1.12 1.79 -3.63 4.37 0.00 -1.26 -1.04 120.51 121.85 3gdt n ALA 95 Ca 0.07 -2.00 -0.05 0.00 0.00 0.00 0.00 53.44 51.47 3gdt n ALA 95 Cb 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3gdt n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gdt n ASP 96 N -0.30 -1.29 -3.08 0.00 -0.08 -1.26 -4.94 116.55 105.61 3gdt n ASP 96 Ca 0.03 -2.21 -0.18 0.00 -1.51 0.00 0.00 54.79 50.92 3gdt n ASP 96 Cb 0.82 2.24 -0.06 0.00 2.34 0.00 0.00 41.12 46.46 3gdt n ASP 96 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3gdt n ILE 97 N -0.39 0.00 -4.77 5.18 -5.35 -1.26 -4.47 119.36 108.30 3gdt n ILE 97 Ca -0.03 -1.98 0.00 0.00 -0.27 0.00 0.00 62.75 60.47 3gdt n ILE 97 Cb 0.41 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 3gdt n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdt n GLY 98 N -0.41 1.00 0.27 3.28 0.00 -1.26 -2.75 105.19 105.31 3gdt n GLY 98 Ca 0.02 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.47 3gdt n GLY 98 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gdt h ASN 99 N 5.78 0.00 0.31 1.61 2.35 -1.98 -1.71 115.58 121.94 3gdt h ASN 99 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3gdt h ASN 99 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gdt h ASN 99 CO 0.00 0.08 -0.15 0.74 -1.65 0.00 0.00 177.43 176.45 3gdt h THR 100 N 0.00 0.72 -0.15 2.81 2.02 -1.97 -1.10 112.91 115.24 3gdt h THR 100 Ca -0.00 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 3gdt h THR 100 Cb 0.17 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3gdt h THR 100 CO 0.01 0.04 -0.36 1.62 0.37 0.00 0.00 175.52 177.21 3gdt h VAL 101 N -0.52 1.29 -0.36 3.16 3.04 -1.29 -1.31 116.25 120.26 3gdt h VAL 101 Ca -0.04 -1.42 -0.01 0.00 -1.01 0.00 0.00 66.70 64.22 3gdt h VAL 101 Cb 0.39 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.22 3gdt h VAL 101 CO 0.07 0.43 0.20 0.11 -1.01 0.00 0.00 177.57 177.37 3gdt h LYS 102 N 0.27 0.51 0.00 4.17 1.57 -1.16 -2.06 116.57 119.87 3gdt h LYS 102 Ca 0.03 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3gdt h LYS 102 Cb 0.76 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3gdt h LYS 102 CO 0.06 0.42 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.66 3gdt h LEU 103 N 0.46 0.00 -1.39 2.94 3.38 -1.06 0.11 115.31 119.74 3gdt h LEU 103 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3gdt h LEU 103 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gdt h LEU 103 CO -0.02 0.63 -0.30 1.56 0.09 0.00 0.00 178.44 180.40 3gdt h GLN 104 N 0.00 0.00 0.13 1.13 4.20 -1.01 0.11 115.11 119.67 3gdt h GLN 104 Ca -0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 3gdt h GLN 104 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 3gdt h GLN 104 CO 0.08 0.30 -1.82 -0.92 -0.67 0.00 0.00 178.83 175.81 3gdt h TYR 105 N 0.00 0.49 0.01 2.96 3.20 -1.11 -3.41 116.97 119.11 3gdt h TYR 105 Ca -0.00 -0.36 -0.33 0.00 3.14 0.00 0.00 58.73 61.18 3gdt h TYR 105 Cb 0.55 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 3gdt h TYR 105 CO 0.00 1.60 -2.00 -1.13 -1.64 0.00 0.00 178.16 174.99 3gdt n SER 106 N -3.46 0.70 0.00 -2.11 3.41 0.34 -0.69 113.62 111.82 3gdt n SER 106 Ca -0.26 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3gdt n SER 106 Cb 1.06 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 3gdt n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdt n ALA 107 N -2.68 0.00 -0.36 7.33 0.00 0.37 -4.41 120.51 120.76 3gdt n ALA 107 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3gdt n ALA 107 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.54 3gdt n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdt n GLY 108 N 5.00 -1.22 0.08 0.00 0.00 -1.26 -1.40 105.19 106.39 3gdt n GLY 108 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 3gdt n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gdt h VAL 109 N 0.00 1.44 0.00 1.61 -1.51 -1.97 -3.34 116.25 112.47 3gdt h VAL 109 Ca 0.00 -3.05 -0.16 0.00 -1.23 0.00 0.00 66.70 62.27 3gdt h VAL 109 Cb 0.00 2.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.84 3gdt h VAL 109 CO 0.00 0.82 -0.75 1.88 -1.23 0.00 0.00 177.57 178.28 3gdt h TYR 110 N 0.00 0.00 -6.86 5.19 0.05 -1.97 -3.45 116.97 109.93 3gdt h TYR 110 Ca -0.02 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.22 3gdt h TYR 110 Cb 1.67 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.25 3gdt h TYR 110 CO 0.00 0.75 -0.86 0.54 -1.05 0.00 0.00 178.16 177.55 3gdt n ARG 111 N -3.36 -0.85 -0.25 4.88 1.74 -0.49 -4.80 116.66 113.53 3gdt n ARG 111 Ca 0.01 0.06 0.04 0.00 -0.77 0.00 0.00 57.85 57.19 3gdt n ARG 111 Cb 0.81 -2.96 0.14 0.00 -1.02 0.00 0.00 32.46 29.43 3gdt n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdt h ILE 112 N -1.52 0.37 -0.09 0.55 2.04 -1.74 -1.11 117.51 116.01 3gdt h ILE 112 Ca -0.59 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3gdt h ILE 112 Cb 1.23 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3gdt h ILE 112 CO 0.60 0.02 0.14 0.00 0.00 0.00 0.00 178.15 178.90 3gdt h ALA 113 N 1.68 1.54 0.00 1.87 0.00 -1.19 0.30 119.26 123.46 3gdt h ALA 113 Ca 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3gdt h ALA 113 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gdt h ALA 113 CO -0.64 -0.18 -0.18 0.93 0.00 0.00 0.00 179.25 179.17 3gdt h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.47 -3.38 114.58 114.81 3gdt h GLU 114 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gdt h GLU 114 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3gdt h GLU 114 CO -0.00 0.18 -0.37 -2.67 -1.00 0.00 0.00 179.01 175.15 3gdt n TRP 115 N -3.43 0.00 -2.65 4.33 4.27 -0.67 -5.04 117.44 114.25 3gdt n TRP 115 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 3gdt n TRP 115 Cb 0.36 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.29 3gdt n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdt s ALA 116 N -0.93 3.35 0.24 -1.67 0.00 0.01 -4.80 121.76 117.97 3gdt s ALA 116 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 3gdt s ALA 116 Cb 0.00 -3.74 0.25 0.00 0.00 0.00 0.00 23.12 19.63 3gdt s ALA 116 CO 0.00 -1.80 1.86 -0.44 0.00 0.00 0.00 175.76 175.38 3gdt h ASP 117 N 8.58 1.08 -4.25 0.00 3.32 -1.50 -3.44 116.42 120.21 3gdt h ASP 117 Ca -0.22 -0.10 -0.50 0.00 0.02 0.00 0.00 57.03 56.23 3gdt h ASP 117 Cb 1.06 -0.28 -0.28 0.00 0.22 0.00 0.00 39.33 40.06 3gdt h ASP 117 CO 1.06 0.88 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.02 3gdt s ILE 118 N -5.77 1.20 0.31 0.35 1.01 -0.23 -1.15 121.20 116.93 3gdt s ILE 118 Ca -0.12 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3gdt s ILE 118 Cb 0.17 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3gdt s ILE 118 CO 0.82 0.26 0.16 0.42 0.00 0.00 0.00 174.94 176.61 3gdt s THR 119 N -0.48 0.33 0.05 2.92 -4.23 -0.96 -2.13 115.64 111.14 3gdt s THR 119 Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3gdt s THR 119 Cb -0.06 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 3gdt s THR 119 CO -0.00 0.00 -0.05 0.54 -0.54 0.00 0.00 174.62 174.57 3gdt s ASN 120 N -3.39 0.64 0.02 3.99 2.20 -1.26 -0.91 114.94 116.24 3gdt s ASN 120 Ca 0.35 -0.78 0.01 0.00 -0.94 0.00 0.00 52.86 51.50 3gdt s ASN 120 Cb 0.05 0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.40 3gdt s ASN 120 CO 0.18 -0.41 -0.05 0.00 -2.94 0.00 0.00 177.10 173.88 3gdt s ALA 121 N -2.69 0.29 0.22 3.54 0.00 -0.17 -2.63 121.76 120.32 3gdt s ALA 121 Ca -0.01 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 3gdt s ALA 121 Cb -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 3gdt s ALA 121 CO -0.04 -0.07 0.94 -1.01 0.00 0.00 0.00 175.76 175.58 3gdt s HIS 122 N -1.16 3.96 -0.70 0.00 3.76 -0.21 -0.94 115.29 120.01 3gdt s HIS 122 Ca -0.11 1.90 0.25 0.00 -0.15 0.00 0.00 55.06 56.95 3gdt s HIS 122 Cb -0.08 -2.99 0.61 0.00 1.11 0.00 0.00 32.58 31.23 3gdt s HIS 122 CO -0.00 0.42 1.58 0.41 -0.85 0.00 0.00 174.74 176.30 3gdt n GLY 123 N 1.60 -1.58 0.45 -2.22 0.00 -1.26 -4.21 105.19 97.97 3gdt n GLY 123 Ca -0.01 -0.12 0.26 0.00 0.00 0.00 0.00 46.02 46.14 3gdt n GLY 123 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gdt h VAL 124 N 0.00 0.56 -0.00 1.61 3.04 -1.94 -0.28 116.25 119.25 3gdt h VAL 124 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 3gdt h VAL 124 Cb 0.74 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3gdt h VAL 124 CO 0.00 0.03 -0.01 1.33 -1.01 0.00 0.00 177.57 177.91 3gdt n VAL 125 N -4.37 0.00 0.00 1.51 0.24 -1.26 -5.03 118.33 109.41 3gdt n VAL 125 Ca 0.21 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 3gdt n VAL 125 Cb 0.92 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 3gdt n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gdt n GLY 126 N 1.26 0.61 0.12 7.63 0.00 -0.12 -4.57 105.19 110.11 3gdt n GLY 126 Ca 0.15 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.32 3gdt n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gdt n PRO 127 N 0.92 0.09 0.28 1.61 -0.04 -1.26 -2.33 135.00 134.27 3gdt n PRO 127 Ca 0.00 0.58 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 3gdt n PRO 127 Cb 0.00 -1.85 0.77 0.00 -0.04 0.00 0.00 33.50 32.38 3gdt n PRO 127 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3gdt h GLY 128 N 0.00 0.00 1.72 0.55 0.00 -1.96 -0.93 103.07 102.45 3gdt h GLY 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3gdt h GLY 128 CO 0.00 0.00 -0.53 1.19 0.00 0.00 0.00 176.54 177.20 3gdt h ILE 129 N 0.00 1.35 0.13 2.60 2.10 -1.68 -0.96 117.51 121.05 3gdt h ILE 129 Ca -0.00 -1.79 -0.01 0.00 1.08 0.00 0.00 64.86 64.14 3gdt h ILE 129 Cb 0.04 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 3gdt h ILE 129 CO 0.00 0.54 -0.06 0.58 -1.08 0.00 0.00 178.15 178.13 3gdt h VAL 130 N 0.23 1.04 -0.42 2.19 2.07 -1.40 -1.92 116.25 118.05 3gdt h VAL 130 Ca 0.01 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3gdt h VAL 130 Cb 1.00 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3gdt h VAL 130 CO 0.08 0.23 0.05 0.77 0.02 0.00 0.00 177.57 178.73 3gdt h SER 131 N -0.68 0.60 -0.05 0.57 4.64 -1.42 -1.13 113.55 116.07 3gdt h SER 131 Ca -0.02 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3gdt h SER 131 Cb 0.51 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3gdt h SER 131 CO 0.03 0.64 -0.03 1.23 -0.87 0.00 0.00 176.83 177.83 3gdt h GLY 132 N 0.88 0.11 1.41 -0.77 0.00 -1.21 -1.87 103.07 101.62 3gdt h GLY 132 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3gdt h GLY 132 CO 0.01 0.09 0.11 1.41 0.00 0.00 0.00 176.54 178.16 3gdt h LEU 133 N -0.29 0.69 -0.32 3.11 3.38 -1.25 -1.59 115.31 119.04 3gdt h LEU 133 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3gdt h LEU 133 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gdt h LEU 133 CO 0.01 0.69 0.13 0.50 0.09 0.00 0.00 178.44 179.86 3gdt h LYS 134 N 0.72 0.47 -0.66 1.13 3.64 -1.16 -0.35 116.57 120.36 3gdt h LYS 134 Ca 0.16 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3gdt h LYS 134 Cb 0.28 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3gdt h LYS 134 CO -0.00 0.46 0.23 0.37 -2.27 0.00 0.00 179.45 178.24 3gdt h GLN 135 N 0.36 1.02 -0.60 1.90 4.15 -1.10 -1.90 115.11 118.95 3gdt h GLN 135 Ca 0.11 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3gdt h GLN 135 Cb 0.16 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3gdt h GLN 135 CO -0.01 0.88 0.29 0.00 -1.93 0.00 0.00 178.83 178.06 3gdt h ALA 136 N 1.09 0.78 -0.58 3.38 0.00 -1.05 -2.19 119.26 120.70 3gdt h ALA 136 Ca 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gdt h ALA 136 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3gdt h ALA 136 CO -0.01 0.34 0.37 0.00 0.00 0.00 0.00 179.25 179.95 3gdt h ALA 137 N 1.12 0.74 -0.24 0.00 0.00 -0.77 -0.93 119.26 119.18 3gdt h ALA 137 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3gdt h ALA 137 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gdt h ALA 137 CO -0.03 0.13 -0.09 0.93 0.00 0.00 0.00 179.25 180.19 3gdt h GLU 138 N 0.74 0.38 0.05 0.00 5.08 -1.06 -2.62 114.58 117.17 3gdt h GLU 138 Ca 0.22 -0.09 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 3gdt h GLU 138 Cb -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3gdt h GLU 138 CO -0.07 0.48 -1.06 0.93 -1.00 0.00 0.00 179.01 178.29 3gdt h GLU 139 N 0.36 0.19 -0.00 2.33 5.08 -0.98 -3.37 114.58 118.19 3gdt h GLU 139 Ca 0.07 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 3gdt h GLU 139 Cb 0.39 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3gdt h GLU 139 CO 0.02 1.08 -0.52 0.28 -1.00 0.00 0.00 179.01 178.87 3gdt h VAL 140 N 0.08 1.45 -3.52 3.13 2.07 -0.98 -3.48 116.25 115.00 3gdt h VAL 140 Ca -0.07 -2.05 -0.10 0.00 0.82 0.00 0.00 66.70 65.30 3gdt h VAL 140 Cb 1.76 2.63 -0.17 0.00 -1.52 0.00 0.00 31.29 33.99 3gdt h VAL 140 CO 0.16 0.59 -0.35 0.28 0.02 0.00 0.00 177.57 178.27 3gdt s THR 141 N -3.19 0.10 -0.45 2.57 -1.32 -1.00 -4.97 115.64 107.37 3gdt s THR 141 Ca -0.14 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 59.71 3gdt s THR 141 Cb 0.03 -0.97 0.34 0.00 -1.51 0.00 0.00 72.50 70.39 3gdt s THR 141 CO 0.80 -0.48 1.62 0.07 -2.21 0.00 0.00 174.62 174.43 3gdt h LYS 142 N 3.29 0.00 -6.93 7.08 2.10 -1.86 -3.42 116.57 116.84 3gdt h LYS 142 Ca -0.32 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.80 3gdt h LYS 142 Cb 1.20 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.60 3gdt h LYS 142 CO 0.48 0.00 0.61 -1.21 -2.00 0.00 0.00 179.45 177.34 3gdt s GLU 143 N -3.21 4.09 0.49 0.07 0.41 -1.26 -4.97 118.70 114.32 3gdt s GLU 143 Ca 0.07 2.15 -0.23 0.00 -0.41 0.00 0.00 54.97 56.56 3gdt s GLU 143 Cb 0.05 -2.85 -0.07 0.00 -1.78 0.00 0.00 34.13 29.49 3gdt s GLU 143 CO 0.66 -0.39 1.27 -1.25 -0.49 0.00 0.00 175.26 175.06 3gdt s PRO 144 N -2.11 3.54 0.07 0.39 0.04 -1.26 -4.99 135.00 130.68 3gdt s PRO 144 Ca 0.54 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.66 3gdt s PRO 144 Cb -0.38 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 3gdt s PRO 144 CO 0.49 -0.80 -0.14 1.03 0.04 0.00 0.00 177.00 177.62 3gdt s ARG 145 N -2.71 0.82 0.09 4.56 1.81 -1.26 -4.85 118.95 117.40 3gdt s ARG 145 Ca 0.66 -0.97 0.03 0.00 -1.72 0.00 0.00 55.73 53.72 3gdt s ARG 145 Cb -0.35 -0.81 -0.04 0.00 -0.45 0.00 0.00 34.95 33.31 3gdt s ARG 145 CO 0.42 0.18 -0.09 0.20 -0.68 0.00 0.00 175.30 175.33 3gdt s GLY 146 N -1.79 0.76 -0.02 -3.53 0.00 -0.30 -4.82 107.32 97.62 3gdt s GLY 146 Ca -0.01 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.59 3gdt s GLY 146 CO 0.02 -1.24 -0.17 -2.27 0.00 0.00 0.00 173.10 169.44 3gdt s LEU 147 N -2.47 2.00 -0.05 0.66 2.96 0.12 -2.27 118.68 119.63 3gdt s LEU 147 Ca 0.05 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3gdt s LEU 147 Cb -0.02 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 3gdt s LEU 147 CO -0.01 0.19 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.34 3gdt s LEU 148 N -0.29 2.95 -0.09 -0.68 1.43 -0.09 -1.15 118.68 120.77 3gdt s LEU 148 Ca 0.04 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3gdt s LEU 148 Cb -0.08 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3gdt s LEU 148 CO -0.00 0.35 0.22 -0.04 0.23 0.00 0.00 176.35 177.10 3gdt s MET 149 N -0.85 3.59 -1.20 1.70 -1.94 -0.58 -1.00 119.30 119.02 3gdt s MET 149 Ca 0.12 0.02 -0.18 0.00 -1.71 0.00 0.00 55.69 53.95 3gdt s MET 149 Cb -0.11 -3.20 0.10 0.00 2.01 0.00 0.00 34.83 33.63 3gdt s MET 149 CO 0.02 0.75 1.55 -0.51 -0.01 0.00 0.00 175.02 176.81 3gdt s LEU 150 N -1.02 4.25 0.09 -0.03 1.43 -0.11 -1.63 118.68 121.66 3gdt s LEU 150 Ca 0.17 -2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 50.74 3gdt s LEU 150 Cb -0.13 -2.51 -0.21 0.00 0.03 0.00 0.00 46.19 43.37 3gdt s LEU 150 CO 0.07 -1.09 1.21 0.00 0.23 0.00 0.00 176.35 176.77 3gdt h ALA 151 N 7.90 0.17 -3.26 4.21 0.00 -1.79 -3.41 119.26 123.08 3gdt h ALA 151 Ca 0.35 -0.71 -0.44 0.00 0.00 0.00 0.00 54.91 54.11 3gdt h ALA 151 Cb 0.91 0.05 -0.38 0.00 0.00 0.00 0.00 17.79 18.36 3gdt h ALA 151 CO 1.36 0.72 -0.77 -1.21 0.00 0.00 0.00 179.25 179.35 3gdt s GLU 152 N -3.27 0.57 0.14 0.00 2.02 -0.95 -4.33 118.70 112.88 3gdt s GLU 152 Ca -0.09 0.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.98 3gdt s GLU 152 Cb 0.07 -0.99 -0.05 0.00 0.10 0.00 0.00 34.13 33.26 3gdt s GLU 152 CO 0.91 -0.32 0.35 -0.51 0.02 0.00 0.00 175.26 175.71 3gdt s LEU 153 N 1.98 4.28 0.00 1.80 1.43 -1.26 -4.16 118.68 122.75 3gdt s LEU 153 Ca 0.05 0.48 0.16 0.00 -1.03 0.00 0.00 54.13 53.79 3gdt s LEU 153 Cb -0.12 -3.21 -0.12 0.00 0.03 0.00 0.00 46.19 42.77 3gdt s LEU 153 CO -0.05 0.05 0.75 -1.54 0.23 0.00 0.00 176.35 175.79 3gdt n SER 154 N -0.05 1.06 -4.73 2.29 3.41 -1.26 -4.90 113.62 109.43 3gdt n SER 154 Ca -0.03 -1.03 -0.36 0.00 -0.26 0.00 0.00 58.87 57.19 3gdt n SER 154 Cb 0.52 0.83 0.07 0.00 -0.26 0.00 0.00 64.21 65.36 3gdt n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdt n LYS 156 N -2.03 2.54 -1.33 0.00 4.81 -1.26 -2.46 118.16 118.43 3gdt n LYS 156 Ca 0.15 0.92 -0.11 0.00 -0.87 0.00 0.00 58.31 58.39 3gdt n LYS 156 Cb 0.49 -2.76 -0.05 0.00 0.02 0.00 0.00 35.03 32.73 3gdt n LYS 156 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdt n GLY 157 N 3.92 1.25 3.72 3.14 0.00 -1.26 -5.00 105.19 110.95 3gdt n GLY 157 Ca 0.17 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3gdt n GLY 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdt s SER 158 N -2.87 3.91 -0.23 1.61 1.04 -1.03 -4.94 113.70 111.19 3gdt s SER 158 Ca 0.00 2.16 0.14 0.00 0.48 0.00 0.00 55.95 58.73 3gdt s SER 158 Cb 0.00 -2.56 0.75 0.00 0.10 0.00 0.00 66.02 64.31 3gdt s SER 158 CO 0.00 -2.44 1.69 0.18 0.98 0.00 0.00 173.24 173.64 3gdt n LEU 159 N -3.37 5.38 -3.52 2.42 4.77 -1.26 -4.77 117.00 116.64 3gdt n LEU 159 Ca 0.12 -2.99 -0.39 0.00 -0.03 0.00 0.00 56.01 52.72 3gdt n LEU 159 Cb 0.52 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 3gdt n LEU 159 CO 0.49 0.66 2.81 0.00 -1.33 0.00 0.00 177.39 180.02 3gdt n ALA 160 N 0.29 5.81 -1.49 -1.18 0.00 -1.26 -4.76 120.51 117.93 3gdt n ALA 160 Ca 0.28 -3.49 -0.30 0.00 0.00 0.00 0.00 53.44 49.93 3gdt n ALA 160 Cb 1.15 -3.44 0.19 0.00 0.00 0.00 0.00 19.45 17.35 3gdt n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdt s THR 161 N 3.13 1.84 0.22 0.00 -4.23 -1.26 -4.69 115.64 110.66 3gdt s THR 161 Ca 0.55 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.98 3gdt s THR 161 Cb 0.15 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 71.43 3gdt s THR 161 CO -0.05 0.00 1.81 1.23 -0.54 0.00 0.00 174.62 177.07 3gdt h GLY 162 N -1.98 1.09 1.06 3.99 0.00 -1.97 0.61 103.07 105.87 3gdt h GLY 162 Ca -0.46 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 3gdt h GLY 162 CO 0.43 0.15 0.09 -2.09 0.00 0.00 0.00 176.54 175.11 3gdt h GLU 163 N 0.73 1.08 -0.47 4.80 4.57 -1.96 -0.33 114.58 123.01 3gdt h GLU 163 Ca 0.34 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 3gdt h GLU 163 Cb 0.25 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3gdt h GLU 163 CO -0.21 1.00 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.70 3gdt h TYR 164 N 0.99 0.90 -0.49 0.92 3.20 -1.72 -1.61 116.97 119.16 3gdt h TYR 164 Ca 0.19 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3gdt h TYR 164 Cb 0.46 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3gdt h TYR 164 CO 0.03 0.87 0.21 1.15 -1.64 0.00 0.00 178.16 178.78 3gdt h THR 165 N 0.68 1.21 -0.74 1.81 2.02 -0.68 -0.73 112.91 116.47 3gdt h THR 165 Ca 0.13 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3gdt h THR 165 Cb 0.51 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3gdt h THR 165 CO 0.03 0.24 0.48 0.50 0.37 0.00 0.00 175.52 177.13 3gdt h LYS 166 N 0.65 0.98 -0.60 6.66 3.64 -0.93 0.02 116.57 126.99 3gdt h LYS 166 Ca 0.17 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3gdt h LYS 166 Cb 0.17 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3gdt h LYS 166 CO -0.02 0.66 0.22 0.78 -2.27 0.00 0.00 179.45 178.82 3gdt h GLY 167 N 1.00 0.95 1.23 5.01 0.00 -0.88 -1.18 103.07 109.21 3gdt h GLY 167 Ca 0.27 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 3gdt h GLY 167 CO -0.06 0.48 -0.42 -0.84 0.00 0.00 0.00 176.54 175.70 3gdt h THR 168 N 0.87 1.28 -0.69 4.70 2.02 -0.48 -2.40 112.91 118.21 3gdt h THR 168 Ca 0.20 -1.60 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 3gdt h THR 168 Cb 0.21 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3gdt h THR 168 CO -0.01 0.53 0.26 0.58 0.37 0.00 0.00 175.52 177.24 3gdt h VAL 169 N 0.67 1.25 -0.52 3.16 2.07 -0.65 -1.89 116.25 120.34 3gdt h VAL 169 Ca 0.05 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3gdt h VAL 169 Cb 1.00 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3gdt h VAL 169 CO 0.10 0.32 0.17 0.44 0.02 0.00 0.00 177.57 178.61 3gdt h ASP 170 N 0.98 0.71 -0.40 0.57 3.32 -1.08 -1.79 116.42 118.73 3gdt h ASP 170 Ca 0.23 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3gdt h ASP 170 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3gdt h ASP 170 CO -0.02 0.67 -0.05 0.40 -1.72 0.00 0.00 179.24 178.53 3gdt h ILE 171 N 0.76 1.25 -0.36 0.35 2.04 -0.99 -2.62 117.51 117.95 3gdt h ILE 171 Ca 0.18 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3gdt h ILE 171 Cb 0.21 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3gdt h ILE 171 CO -0.01 0.38 -0.01 0.00 0.00 0.00 0.00 178.15 178.52 3gdt h ALA 172 N 1.19 1.32 0.00 1.87 0.00 -0.56 -2.08 119.26 121.00 3gdt h ALA 172 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gdt h ALA 172 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gdt h ALA 172 CO 0.03 0.46 0.00 0.87 0.00 0.00 0.00 179.25 180.61 3gdt h LYS 173 N 0.54 0.00 0.00 0.00 1.57 -0.98 -2.44 116.57 115.26 3gdt h LYS 173 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gdt h LYS 173 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3gdt h LYS 173 CO 0.01 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 3gdt h SER 174 N 0.00 0.00 -1.51 0.86 4.64 -1.39 -3.38 113.55 112.77 3gdt h SER 174 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3gdt h SER 174 Cb 0.09 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.93 3gdt h SER 174 CO 0.00 0.00 -0.57 -0.62 -0.87 0.00 0.00 176.83 174.77 3gdt s ASP 175 N -5.19 -0.09 0.53 4.97 -1.08 -0.92 -4.99 116.67 109.91 3gdt s ASP 175 Ca -0.01 -1.15 0.32 0.00 -0.52 0.00 0.00 52.55 51.20 3gdt s ASP 175 Cb 0.10 1.22 1.22 0.00 -1.46 0.00 0.00 42.92 44.00 3gdt s ASP 175 CO 0.45 -0.23 1.93 0.07 0.52 0.00 0.00 175.17 177.92 3gdt h LYS 176 N 7.10 0.00 -0.00 4.34 2.10 -1.76 -0.23 116.57 128.13 3gdt h LYS 176 Ca 0.04 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.45 3gdt h LYS 176 Cb 1.11 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.45 3gdt h LYS 176 CO 0.16 0.00 -0.98 -0.44 -2.00 0.00 0.00 179.45 176.19 3gdt h ASP 177 N 0.00 0.67 0.01 7.07 3.45 -1.94 -3.40 116.42 122.28 3gdt h ASP 177 Ca 0.00 -0.53 -0.40 0.00 0.43 0.00 0.00 57.03 56.52 3gdt h ASP 177 Cb 0.58 -0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 39.08 3gdt h ASP 177 CO 0.00 1.33 -2.46 0.33 -1.57 0.00 0.00 179.24 176.87 3gdt n PHE 178 N -3.78 0.07 -2.82 4.55 7.35 -1.17 -4.45 117.46 117.21 3gdt n PHE 178 Ca -0.08 0.02 -0.43 0.00 -0.76 0.00 0.00 57.45 56.20 3gdt n PHE 178 Cb 0.85 -1.01 -0.04 0.00 0.35 0.00 0.00 39.48 39.63 3gdt n PHE 178 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gdt s VAL 179 N -2.52 4.35 -1.32 -2.13 1.01 -0.11 -0.70 120.40 118.99 3gdt s VAL 179 Ca -0.35 0.31 0.25 0.00 0.00 0.00 0.00 61.98 62.19 3gdt s VAL 179 Cb 0.10 -4.56 0.06 0.00 0.00 0.00 0.00 36.38 31.98 3gdt s VAL 179 CO 0.59 -1.15 1.38 2.30 0.00 0.00 0.00 175.10 178.21 3gdt n ILE 180 N 6.23 0.00 -2.33 2.22 -5.35 -0.30 -4.62 119.36 115.21 3gdt n ILE 180 Ca 0.02 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3gdt n ILE 180 Cb 0.48 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 3gdt n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdt n GLY 181 N 1.44 -0.55 3.12 3.28 0.00 -1.24 -0.91 105.19 110.34 3gdt n GLY 181 Ca 0.08 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 3gdt n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdt s PHE 182 N -3.36 0.53 -0.32 1.61 0.08 0.04 -1.53 117.98 115.04 3gdt s PHE 182 Ca 0.00 -1.03 -0.12 0.00 0.12 0.00 0.00 56.93 55.90 3gdt s PHE 182 Cb 0.00 -0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 42.07 3gdt s PHE 182 CO 0.00 -0.44 0.23 0.42 -0.10 0.00 0.00 175.22 175.33 3gdt s ILE 183 N -3.94 5.29 0.29 0.64 -1.09 -0.65 -1.30 121.20 120.45 3gdt s ILE 183 Ca 0.10 -0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.29 3gdt s ILE 183 Cb 0.07 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 3gdt s ILE 183 CO -0.08 0.09 0.69 0.00 -1.23 0.00 0.00 174.94 174.41 3gdt s ALA 184 N 1.75 -0.97 -1.71 9.38 0.00 -0.69 -2.24 121.76 127.28 3gdt s ALA 184 Ca 0.07 -0.48 0.16 0.00 0.00 0.00 0.00 51.96 51.71 3gdt s ALA 184 Cb -0.17 0.87 0.26 0.00 0.00 0.00 0.00 23.12 24.07 3gdt s ALA 184 CO 0.11 -1.00 1.16 1.04 0.00 0.00 0.00 175.76 177.06 3gdt n GLN 185 N -0.46 1.88 -3.80 0.00 1.13 -1.26 -3.92 117.38 110.95 3gdt n GLN 185 Ca -0.04 -1.80 -0.08 0.00 -1.94 0.00 0.00 57.00 53.14 3gdt n GLN 185 Cb 0.60 -1.34 -0.02 0.00 0.11 0.00 0.00 30.24 29.59 3gdt n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdt s ARG 186 N -1.19 1.71 0.43 -1.09 1.70 -1.26 -4.96 118.95 114.29 3gdt s ARG 186 Ca 0.25 -0.92 -0.26 0.00 -0.47 0.00 0.00 55.73 54.32 3gdt s ARG 186 Cb 0.15 0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 35.05 3gdt s ARG 186 CO 0.21 -0.78 1.40 0.34 -1.08 0.00 0.00 175.30 175.39 3gdt s ASP 187 N -2.90 6.07 0.00 -2.89 2.15 -1.26 -4.91 116.67 112.93 3gdt s ASP 187 Ca 0.10 2.86 0.15 0.00 0.43 0.00 0.00 52.55 56.08 3gdt s ASP 187 Cb -0.05 -2.65 0.38 0.00 -0.30 0.00 0.00 42.92 40.29 3gdt s ASP 187 CO 0.04 -1.04 1.30 0.23 -0.17 0.00 0.00 175.17 175.53 3gdt n MET 188 N -0.00 2.60 0.00 4.34 2.81 -1.26 -5.09 117.12 120.52 3gdt n MET 188 Ca 0.04 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.79 3gdt n MET 188 Cb 0.42 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 3gdt n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdt n GLY 189 N 0.88 1.36 1.27 3.03 0.00 -1.26 -4.95 105.19 105.52 3gdt n GLY 189 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3gdt n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdt n GLY 190 N 0.00 2.19 0.33 -0.02 0.00 -1.26 -4.73 105.19 101.70 3gdt n GLY 190 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3gdt n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdt h ARG 191 N 2.78 1.14 0.00 1.61 3.08 -1.92 -0.49 114.38 120.59 3gdt h ARG 191 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gdt h ARG 191 Cb 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.79 3gdt h ARG 191 CO 0.00 0.76 0.00 -0.25 -1.07 0.00 0.00 179.97 179.41 3gdt n ASP 192 N -4.48 0.68 -0.99 7.04 8.00 -1.26 -2.32 116.55 123.22 3gdt n ASP 192 Ca 0.09 0.67 0.11 0.00 0.71 0.00 0.00 54.79 56.38 3gdt n ASP 192 Cb 0.01 -0.82 0.15 0.00 -0.02 0.00 0.00 41.12 40.44 3gdt n ASP 192 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gdt n GLU 193 N -2.26 2.26 -0.54 -1.24 1.02 -0.63 -4.96 120.64 114.29 3gdt n GLU 193 Ca 0.02 -2.03 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 3gdt n GLU 193 Cb 0.22 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3gdt n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gdt n GLY 194 N 1.32 0.68 3.64 0.62 0.00 -0.98 -5.07 105.19 105.41 3gdt n GLY 194 Ca 0.16 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3gdt n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdt s TYR 195 N -2.00 3.04 -0.56 1.61 2.02 -0.29 -5.02 117.35 116.15 3gdt s TYR 195 Ca 0.00 0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 3gdt s TYR 195 Cb 0.00 -1.72 0.16 0.00 -0.40 0.00 0.00 41.96 40.00 3gdt s TYR 195 CO 0.00 0.42 0.39 0.34 -1.57 0.00 0.00 175.55 175.13 3gdt s ASP 196 N -1.07 3.59 0.13 2.29 2.15 -1.26 -3.30 116.67 119.20 3gdt s ASP 196 Ca 0.15 -3.38 -0.23 0.00 0.43 0.00 0.00 52.55 49.52 3gdt s ASP 196 Cb -0.11 -1.18 -0.07 0.00 -0.30 0.00 0.00 42.92 41.26 3gdt s ASP 196 CO 0.04 -0.15 0.71 0.26 -0.17 0.00 0.00 175.17 175.86 3gdt s TRP 197 N -0.65 3.87 -0.11 -5.34 0.51 -1.26 -4.89 118.94 111.08 3gdt s TRP 197 Ca 0.26 1.51 -0.28 0.00 -2.12 0.00 0.00 56.10 55.47 3gdt s TRP 197 Cb -0.06 -2.68 -0.02 0.00 -0.81 0.00 0.00 33.47 29.90 3gdt s TRP 197 CO -0.14 0.54 0.94 -0.51 -0.51 0.00 0.00 176.95 177.27 3gdt s LEU 198 N -1.11 4.25 -0.35 2.99 1.43 -0.08 -4.92 118.68 120.88 3gdt s LEU 198 Ca 0.34 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 3gdt s LEU 198 Cb -0.22 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.56 3gdt s LEU 198 CO 0.24 -0.39 0.19 -0.63 0.23 0.00 0.00 176.35 175.98 3gdt s ILE 199 N 1.85 4.61 -0.20 -0.59 -1.09 -1.26 -0.78 121.20 123.74 3gdt s ILE 199 Ca 0.46 -0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 3gdt s ILE 199 Cb -0.18 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 3gdt s ILE 199 CO 0.18 -0.13 -0.01 -0.04 -1.23 0.00 0.00 174.94 173.71 3gdt s MET 200 N 1.58 3.56 -0.18 2.79 -1.94 -0.42 -0.12 119.30 124.57 3gdt s MET 200 Ca 0.03 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3gdt s MET 200 Cb -0.18 -3.05 0.02 0.00 2.01 0.00 0.00 34.83 33.63 3gdt s MET 200 CO 0.07 -0.02 -0.18 0.99 -0.01 0.00 0.00 175.02 175.86 3gdt s THR 201 N 1.08 2.00 0.44 2.05 2.01 -0.21 -1.70 115.64 121.31 3gdt s THR 201 Ca 0.02 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 3gdt s THR 201 Cb -0.14 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3gdt s THR 201 CO 0.01 0.48 0.71 -2.16 -0.69 0.00 0.00 174.62 172.96 3gdt s PRO 202 N 1.30 3.46 0.00 4.92 0.04 -1.26 -0.56 135.00 142.90 3gdt s PRO 202 Ca 0.04 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.04 3gdt s PRO 202 Cb -0.14 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3gdt s PRO 202 CO -0.12 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3gdt n GLY 203 N -2.11 0.27 3.11 0.56 0.00 -1.14 -4.91 105.19 100.96 3gdt n GLY 203 Ca -0.01 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3gdt n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdt s VAL 204 N -2.94 1.06 0.41 1.61 1.01 -1.26 -3.75 120.40 116.55 3gdt s VAL 204 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3gdt s VAL 204 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3gdt s VAL 204 CO 0.00 0.20 0.14 -0.83 0.00 0.00 0.00 175.10 174.61 3gdt s GLY 205 N -0.59 2.62 -0.06 4.51 0.00 0.28 -4.83 107.32 109.25 3gdt s GLY 205 Ca 0.04 -1.27 0.09 0.00 0.00 0.00 0.00 44.72 43.59 3gdt s GLY 205 CO 0.00 -1.81 1.11 1.04 0.00 0.00 0.00 173.10 173.45 3gdt n LEU 206 N -0.90 2.36 -3.77 0.66 4.77 -1.26 -1.74 117.00 117.11 3gdt n LEU 206 Ca -0.05 -2.49 -0.25 0.00 -0.03 0.00 0.00 56.01 53.19 3gdt n LEU 206 Cb 0.65 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3gdt n LEU 206 CO 0.35 0.61 -0.13 0.47 -1.33 0.00 0.00 177.39 177.36 3gdt n ASP 207 N -0.76 -2.11 -4.76 -1.43 9.92 -1.26 -4.91 116.55 111.23 3gdt n ASP 207 Ca 0.09 -0.94 -0.40 0.00 -0.53 0.00 0.00 54.79 53.01 3gdt n ASP 207 Cb 0.46 -3.54 -0.04 0.00 -0.64 0.00 0.00 41.12 37.37 3gdt n ASP 207 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3gdt s ASP 208 N -4.10 7.06 0.11 -2.24 1.01 -1.26 -4.95 116.67 112.31 3gdt s ASP 208 Ca 0.14 2.31 -0.34 0.00 0.71 0.00 0.00 52.55 55.37 3gdt s ASP 208 Cb -0.05 -2.62 -0.14 0.00 1.01 0.00 0.00 42.92 41.12 3gdt s ASP 208 CO 0.85 -0.29 1.58 1.17 0.21 0.00 0.00 175.17 178.69 3gdt n LYS 209 N 0.88 1.99 -0.86 8.23 4.81 -1.26 -1.56 118.16 130.39 3gdt n LYS 209 Ca 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 3gdt n LYS 209 Cb 0.45 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.02 3gdt n LYS 209 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdt n GLY 210 N 3.42 0.66 3.39 3.14 0.00 -1.26 -4.96 105.19 109.58 3gdt n GLY 210 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 3gdt n GLY 210 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gdt s ASP 211 N -2.63 7.08 0.23 1.61 2.15 -0.60 -4.87 116.67 119.65 3gdt s ASP 211 Ca 0.00 -3.10 -0.07 0.00 0.43 0.00 0.00 52.55 49.81 3gdt s ASP 211 Cb 0.00 -2.29 0.20 0.00 -0.30 0.00 0.00 42.92 40.54 3gdt s ASP 211 CO 0.00 -0.55 1.84 0.00 -0.17 0.00 0.00 175.17 176.29 3gdt h ALA 212 N 7.23 1.14 0.05 3.66 0.00 -1.93 -1.24 119.26 128.17 3gdt h ALA 212 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gdt h ALA 212 Cb 0.92 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3gdt h ALA 212 CO 1.05 0.67 -0.13 1.25 0.00 0.00 0.00 179.25 182.09 3gdt h LEU 213 N 1.25 -0.37 -1.29 0.00 6.46 -1.98 -2.27 115.31 117.11 3gdt h LEU 213 Ca 0.31 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 58.06 3gdt h LEU 213 Cb 0.07 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3gdt h LEU 213 CO -0.04 -0.19 -0.28 1.23 -0.62 0.00 0.00 178.44 178.54 3gdt h GLY 214 N -0.25 0.00 1.62 3.75 0.00 -1.92 -2.51 103.07 103.76 3gdt h GLY 214 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3gdt h GLY 214 CO -0.10 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.38 3gdt n GLN 215 N -3.63 0.24 0.20 4.80 6.02 -0.48 -2.14 117.38 122.39 3gdt n GLN 215 Ca -0.01 0.11 0.14 0.00 -0.01 0.00 0.00 57.00 57.23 3gdt n GLN 215 Cb 0.40 -1.50 0.44 0.00 1.02 0.00 0.00 30.24 30.61 3gdt n GLN 215 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3gdt h GLN 216 N 0.00 0.00 -6.03 -1.09 4.20 -1.23 -3.45 115.11 107.51 3gdt h GLN 216 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 3gdt h GLN 216 Cb 0.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3gdt h GLN 216 CO 0.00 0.00 -0.44 0.71 -0.67 0.00 0.00 178.83 178.43 3gdt s TYR 217 N -3.37 3.50 0.63 2.96 2.02 -0.91 -5.08 117.35 117.10 3gdt s TYR 217 Ca 0.05 0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.83 3gdt s TYR 217 Cb 0.08 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3gdt s TYR 217 CO 0.56 0.51 1.19 1.03 -1.57 0.00 0.00 175.55 177.28 3gdt s ARG 218 N -2.90 2.80 0.66 -0.62 0.52 -1.25 -4.42 118.95 113.74 3gdt s ARG 218 Ca 0.36 1.74 -0.10 0.00 -0.52 0.00 0.00 55.73 57.21 3gdt s ARG 218 Cb -0.12 -1.92 -0.00 0.00 0.52 0.00 0.00 34.95 33.43 3gdt s ARG 218 CO 0.28 -1.32 1.04 0.95 0.02 0.00 0.00 175.30 176.27 3gdt s THR 219 N -1.78 3.90 0.16 0.02 -4.23 -1.26 -0.56 115.64 111.89 3gdt s THR 219 Ca 0.75 0.52 -0.16 0.00 -1.18 0.00 0.00 61.69 61.62 3gdt s THR 219 Cb -0.28 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 69.98 3gdt s THR 219 CO 0.36 -0.76 1.78 0.58 -0.54 0.00 0.00 174.62 176.05 3gdt h VAL 220 N -0.47 0.99 -0.73 2.29 2.07 -1.70 -2.15 116.25 116.56 3gdt h VAL 220 Ca -0.45 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3gdt h VAL 220 Cb 1.23 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3gdt h VAL 220 CO 0.63 0.07 0.46 -0.78 0.02 0.00 0.00 177.57 177.97 3gdt h ASP 221 N 0.40 0.76 0.28 0.57 3.58 -1.87 -1.45 116.42 118.70 3gdt h ASP 221 Ca 0.16 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3gdt h ASP 221 Cb 0.05 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3gdt h ASP 221 CO -0.10 0.53 -0.25 -0.78 -2.88 0.00 0.00 179.24 175.75 3gdt h ASP 222 N 0.90 -0.68 -0.48 2.28 -0.00 -1.80 -0.45 116.42 116.20 3gdt h ASP 222 Ca 0.29 0.06 -0.13 0.00 -0.00 0.00 0.00 57.03 57.25 3gdt h ASP 222 Cb 0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.55 3gdt h ASP 222 CO -0.10 -0.38 -0.22 -0.37 -0.00 0.00 0.00 179.24 178.18 3gdt h VAL 223 N -0.56 1.27 -0.12 2.25 -1.51 -1.26 -2.62 116.25 113.71 3gdt h VAL 223 Ca -0.01 -1.38 -0.06 0.00 -1.23 0.00 0.00 66.70 64.02 3gdt h VAL 223 Cb 0.50 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3gdt h VAL 223 CO -0.04 0.48 -0.15 0.58 -1.23 0.00 0.00 177.57 177.20 3gdt h VAL 224 N 0.84 1.37 0.00 7.19 2.07 -1.25 -1.07 116.25 125.40 3gdt h VAL 224 Ca 0.11 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3gdt h VAL 224 Cb 0.80 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3gdt h VAL 224 CO 0.07 0.39 -0.00 0.77 0.02 0.00 0.00 177.57 178.82 3gdt h SER 225 N -0.10 0.00 0.98 0.57 4.64 -1.13 -1.81 113.55 116.70 3gdt h SER 225 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gdt h SER 225 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3gdt h SER 225 CO 0.04 0.00 -0.67 0.74 -0.87 0.00 0.00 176.83 176.07 3gdt h THR 226 N 0.00 0.00 0.00 2.95 2.02 -1.22 -3.48 112.91 113.18 3gdt h THR 226 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3gdt h THR 226 Cb 0.14 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3gdt h THR 226 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3gdt n GLY 227 N 1.28 0.20 3.76 2.16 0.00 -0.68 -4.31 105.19 107.61 3gdt n GLY 227 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3gdt n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdt s SER 228 N -0.28 7.13 -0.16 1.61 0.01 -0.44 -4.56 113.70 117.01 3gdt s SER 228 Ca 0.00 2.36 0.12 0.00 1.31 0.00 0.00 55.95 59.74 3gdt s SER 228 Cb 0.00 -2.63 -0.23 0.00 0.21 0.00 0.00 66.02 63.37 3gdt s SER 228 CO 0.00 -0.26 0.21 0.47 0.41 0.00 0.00 173.24 174.07 3gdt n ASP 229 N 1.28 0.74 -3.97 2.44 8.00 0.83 -4.50 116.55 121.37 3gdt n ASP 229 Ca -0.00 0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.41 3gdt n ASP 229 Cb 0.44 0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.70 3gdt n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdt s ILE 230 N -2.53 0.73 -0.22 0.53 1.01 -0.57 -4.80 121.20 115.34 3gdt s ILE 230 Ca -0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3gdt s ILE 230 Cb 0.07 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 3gdt s ILE 230 CO 0.79 0.24 0.21 0.27 0.00 0.00 0.00 174.94 176.45 3gdt s ILE 231 N 0.37 5.34 -0.43 2.92 -4.36 -0.43 -1.05 121.20 123.57 3gdt s ILE 231 Ca -0.06 0.31 -0.14 0.00 -0.26 0.00 0.00 60.65 60.50 3gdt s ILE 231 Cb -0.10 -3.55 0.05 0.00 1.25 0.00 0.00 42.46 40.11 3gdt s ILE 231 CO 0.01 0.35 0.31 -0.63 0.24 0.00 0.00 174.94 175.22 3gdt s ILE 232 N 0.92 4.99 -0.14 8.37 1.01 0.28 -0.89 121.20 135.73 3gdt s ILE 232 Ca 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 3gdt s ILE 232 Cb -0.13 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3gdt s ILE 232 CO 0.04 -0.43 0.04 -0.69 0.00 0.00 0.00 174.94 173.90 3gdt s VAL 233 N 1.61 4.64 0.00 2.92 1.01 -0.47 -2.90 120.40 127.21 3gdt s VAL 233 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3gdt s VAL 233 Cb -0.22 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3gdt s VAL 233 CO 0.07 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3gdt n GLY 234 N 2.95 0.46 0.29 4.51 0.00 -1.26 -0.74 105.19 111.40 3gdt n GLY 234 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 3gdt n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdt h ARG 235 N 0.00 0.00 0.00 1.61 3.08 -1.99 -1.69 114.38 115.39 3gdt h ARG 235 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gdt h ARG 235 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gdt h ARG 235 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gdt n GLY 236 N -1.17 -0.81 0.11 0.04 0.00 -1.26 -0.69 105.19 101.41 3gdt n GLY 236 Ca -0.02 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3gdt n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdt n LEU 237 N -1.85 0.83 0.00 0.99 4.77 -0.63 -4.75 117.00 116.37 3gdt n LEU 237 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3gdt n LEU 237 Cb 0.07 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gdt n LEU 237 CO 0.08 -0.18 0.00 2.22 -1.33 0.00 0.00 177.39 178.18 3gdt n PHE 238 N -2.63 0.00 -1.22 -1.77 1.16 -0.67 -3.68 117.46 108.66 3gdt n PHE 238 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.30 3gdt n PHE 238 Cb 0.54 0.00 0.17 0.00 -1.61 0.00 0.00 39.48 38.58 3gdt n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdt s ALA 239 N 0.00 1.08 -1.41 1.98 0.00 0.13 -3.50 121.76 120.04 3gdt s ALA 239 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 3gdt s ALA 239 Cb 0.00 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 20.05 3gdt s ALA 239 CO 0.00 -2.75 0.90 1.63 0.00 0.00 0.00 175.76 175.54 3gdt n LYS 240 N -4.12 -5.66 -1.79 0.00 4.76 -1.26 -2.19 118.16 107.91 3gdt n LYS 240 Ca 0.05 0.65 -0.18 0.00 -2.87 0.00 0.00 58.31 55.96 3gdt n LYS 240 Cb 0.57 -5.44 -0.06 0.00 -1.84 0.00 0.00 35.03 28.27 3gdt n LYS 240 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdt n GLY 241 N -1.66 1.11 3.83 0.72 0.00 -1.26 -4.98 105.19 102.95 3gdt n GLY 241 Ca -0.11 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3gdt n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdt s ARG 242 N -3.98 3.57 -0.51 1.61 0.52 -0.93 -5.01 118.95 114.22 3gdt s ARG 242 Ca 0.00 1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 56.01 3gdt s ARG 242 Cb 0.00 -2.08 0.05 0.00 0.52 0.00 0.00 34.95 33.45 3gdt s ARG 242 CO 0.00 -0.59 0.68 0.34 0.02 0.00 0.00 175.30 175.75 3gdt s ASP 243 N -3.25 6.24 0.32 0.23 3.68 -1.26 -4.79 116.67 117.85 3gdt s ASP 243 Ca 0.60 -0.81 0.07 0.00 2.13 0.00 0.00 52.55 54.54 3gdt s ASP 243 Cb -0.12 -2.32 0.76 0.00 -1.45 0.00 0.00 42.92 39.79 3gdt s ASP 243 CO 0.40 -0.95 1.81 0.00 0.13 0.00 0.00 175.17 176.56 3gdt h ALA 244 N 9.05 1.74 -0.61 3.66 0.00 -1.90 -0.16 119.26 131.05 3gdt h ALA 244 Ca -0.27 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3gdt h ALA 244 Cb 1.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3gdt h ALA 244 CO 0.98 -0.06 0.06 -0.22 0.00 0.00 0.00 179.25 180.01 3gdt h LYS 245 N 0.76 1.03 -0.01 0.00 3.64 -1.86 0.20 116.57 120.32 3gdt h LYS 245 Ca 0.54 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3gdt h LYS 245 Cb 0.84 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3gdt h LYS 245 CO -0.31 0.99 0.00 0.28 -2.27 0.00 0.00 179.45 178.14 3gdt h VAL 246 N 0.93 1.24 -0.78 2.00 2.07 -1.60 -2.52 116.25 117.60 3gdt h VAL 246 Ca 0.18 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3gdt h VAL 246 Cb 0.49 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3gdt h VAL 246 CO 0.02 0.19 0.34 -0.33 0.02 0.00 0.00 177.57 177.81 3gdt h GLU 247 N -0.29 1.14 -0.71 1.57 4.39 -1.00 -1.39 114.58 118.30 3gdt h GLU 247 Ca 0.00 -0.19 0.07 0.00 0.34 0.00 0.00 59.36 59.58 3gdt h GLU 247 Cb 0.30 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 3gdt h GLU 247 CO 0.00 0.91 0.40 0.78 -1.16 0.00 0.00 179.01 179.93 3gdt h GLY 248 N 1.15 1.05 1.25 -3.84 0.00 -0.53 -0.25 103.07 101.90 3gdt h GLY 248 Ca 0.26 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 3gdt h GLY 248 CO -0.03 0.16 -0.36 -2.09 0.00 0.00 0.00 176.54 174.23 3gdt h GLU 249 N 0.72 0.82 0.14 4.80 4.57 -1.01 -0.52 114.58 124.11 3gdt h GLU 249 Ca 0.32 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3gdt h GLU 249 Cb 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3gdt h GLU 249 CO -0.19 1.05 -0.11 0.00 -1.18 0.00 0.00 179.01 178.58 3gdt h ARG 250 N 0.68 -0.24 -0.28 1.92 3.08 -0.41 0.71 114.38 119.84 3gdt h ARG 250 Ca 0.06 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 3gdt h ARG 250 Cb 0.92 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 3gdt h ARG 250 CO 0.08 -0.16 -0.32 1.88 -1.07 0.00 0.00 179.97 180.38 3gdt h TYR 251 N -0.25 0.70 -0.14 3.04 -1.99 -1.06 -1.39 116.97 115.88 3gdt h TYR 251 Ca -0.01 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 3gdt h TYR 251 Cb 0.23 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 3gdt h TYR 251 CO -0.10 0.86 0.05 -0.09 -0.00 0.00 0.00 178.16 178.88 3gdt h ARG 252 N 0.52 0.22 -0.04 4.88 2.43 -0.88 0.58 114.38 122.08 3gdt h ARG 252 Ca 0.06 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3gdt h ARG 252 Cb 0.81 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3gdt h ARG 252 CO 0.07 0.32 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.54 3gdt h LYS 253 N 0.07 -0.12 -0.43 0.20 3.64 -0.76 0.33 116.57 119.48 3gdt h LYS 253 Ca 0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3gdt h LYS 253 Cb 0.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3gdt h LYS 253 CO -0.00 -0.08 0.27 0.00 -2.27 0.00 0.00 179.45 177.37 3gdt h ALA 254 N 0.89 0.55 -0.58 5.00 0.00 -1.13 -0.36 119.26 123.64 3gdt h ALA 254 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gdt h ALA 254 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gdt h ALA 254 CO -0.12 0.02 0.21 0.78 0.00 0.00 0.00 179.25 180.14 3gdt h GLY 255 N 0.58 0.95 0.96 0.00 0.00 -0.60 -1.51 103.07 103.45 3gdt h GLY 255 Ca 0.16 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 3gdt h GLY 255 CO -0.03 0.51 -0.23 -0.25 0.00 0.00 0.00 176.54 176.53 3gdt h TRP 256 N 0.81 0.82 -0.83 5.60 2.91 -0.74 -1.62 115.95 122.91 3gdt h TRP 256 Ca 0.19 -0.23 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 3gdt h TRP 256 Cb 0.25 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 3gdt h TRP 256 CO 0.01 0.96 0.42 0.93 -1.03 0.00 0.00 178.44 179.74 3gdt h GLU 257 N 0.45 1.17 -0.63 2.65 5.08 -0.99 -0.35 114.58 121.96 3gdt h GLU 257 Ca 0.06 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 3gdt h GLU 257 Cb 0.79 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3gdt h GLU 257 CO 0.06 0.88 0.12 0.00 -1.00 0.00 0.00 179.01 179.07 3gdt h ALA 258 N 1.29 0.84 -0.34 3.43 0.00 -1.16 -1.68 119.26 121.65 3gdt h ALA 258 Ca 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gdt h ALA 258 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gdt h ALA 258 CO -0.04 0.59 0.19 -0.92 0.00 0.00 0.00 179.25 179.06 3gdt h TYR 259 N 0.95 0.46 -0.47 0.00 3.20 -0.57 -1.55 116.97 118.99 3gdt h TYR 259 Ca 0.20 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 3gdt h TYR 259 Cb 0.41 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3gdt h TYR 259 CO 0.03 0.35 0.12 -0.07 -1.64 0.00 0.00 178.16 176.95 3gdt h LEU 260 N 0.43 0.64 -1.24 2.82 3.38 -0.92 -0.96 115.31 119.46 3gdt h LEU 260 Ca 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3gdt h LEU 260 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3gdt h LEU 260 CO -0.02 0.64 0.15 -0.09 0.09 0.00 0.00 178.44 179.21 3gdt h ARG 261 N 0.68 0.68 0.00 1.13 2.43 -0.90 -3.51 114.38 114.89 3gdt h ARG 261 Ca 0.15 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3gdt h ARG 261 Cb 0.25 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3gdt h ARG 261 CO -0.00 0.59 0.00 -2.13 -1.51 0.00 0.00 179.97 176.91