#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 1.82 0.84 7.82 0.00 -1.26 -0.68 121.76 130.29 3gdt s ALA 4 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3gdt s ALA 4 Cb 0.00 -3.02 0.09 0.00 0.00 0.00 0.00 23.12 20.19 3gdt s ALA 4 CO 0.00 -2.27 1.10 0.95 0.00 0.00 0.00 175.76 175.55 3gdt s THR 5 N -3.30 2.83 0.26 0.00 -4.23 -1.26 -4.79 115.64 105.15 3gdt s THR 5 Ca 0.64 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.37 3gdt s THR 5 Cb -0.14 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 70.98 3gdt s THR 5 CO 0.53 -0.35 1.92 1.88 -0.54 0.00 0.00 174.62 178.06 3gdt h TYR 6 N -1.25 1.18 -0.59 3.99 0.05 -1.96 -0.24 116.97 118.16 3gdt h TYR 6 Ca -0.48 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.31 3gdt h TYR 6 Cb 1.28 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 3gdt h TYR 6 CO 0.43 0.77 0.35 -0.22 -1.05 0.00 0.00 178.16 178.44 3gdt h LYS 7 N 1.25 0.79 -0.42 4.88 3.64 -1.92 -0.95 116.57 123.85 3gdt h LYS 7 Ca 0.33 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3gdt h LYS 7 Cb -0.09 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3gdt h LYS 7 CO -0.07 0.57 -0.03 0.93 -2.27 0.00 0.00 179.45 178.58 3gdt h GLU 8 N 0.79 0.75 -0.11 1.90 5.08 -1.77 -2.86 114.58 118.37 3gdt h GLU 8 Ca 0.21 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3gdt h GLU 8 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3gdt h GLU 8 CO -0.04 0.85 -0.14 0.00 -1.00 0.00 0.00 179.01 178.67 3gdt h ARG 9 N 0.58 0.17 -0.18 2.33 3.08 -0.80 -1.91 114.38 117.64 3gdt h ARG 9 Ca 0.11 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3gdt h ARG 9 Cb 0.53 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3gdt h ARG 9 CO 0.03 0.32 -0.25 0.00 -1.07 0.00 0.00 179.97 179.00 3gdt h ALA 10 N 1.70 1.25 0.00 0.04 0.00 -0.95 0.16 119.26 121.46 3gdt h ALA 10 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gdt h ALA 10 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gdt h ALA 10 CO 0.02 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3gdt h ALA 11 N 1.45 1.00 0.00 0.00 0.00 -1.18 -3.37 119.26 117.17 3gdt h ALA 11 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gdt h ALA 11 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gdt h ALA 11 CO 0.04 0.00 -1.19 0.25 0.00 0.00 0.00 179.25 178.35 3gdt n THR 12 N -3.00 0.00 -1.72 0.00 -2.24 -1.05 -5.05 114.28 101.23 3gdt n THR 12 Ca 0.04 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3gdt n THR 12 Cb 0.49 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 3gdt n THR 12 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3gdt n HIS 13 N -1.66 2.56 0.25 4.78 -0.00 0.02 -4.90 115.22 116.27 3gdt n HIS 13 Ca -0.01 0.36 0.14 0.00 0.46 0.00 0.00 57.72 58.68 3gdt n HIS 13 Cb 0.15 -2.52 0.56 0.00 -0.12 0.00 0.00 29.99 28.05 3gdt n HIS 13 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3gdt h PRO 14 N 4.22 0.00 -5.18 1.57 0.13 -1.90 -3.43 132.00 127.40 3gdt h PRO 14 Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 3gdt h PRO 14 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 3gdt h PRO 14 CO 0.75 0.08 -0.24 0.45 -0.23 0.00 0.00 178.00 178.81 3gdt s SER 15 N -5.92 6.27 0.39 1.44 0.15 -1.26 -4.83 113.70 109.94 3gdt s SER 15 Ca 0.01 0.31 0.08 0.00 0.70 0.00 0.00 55.95 57.05 3gdt s SER 15 Cb 0.09 -2.21 0.84 0.00 -1.71 0.00 0.00 66.02 63.03 3gdt s SER 15 CO 0.59 -0.16 2.00 -0.65 1.20 0.00 0.00 173.24 176.22 3gdt h PRO 16 N 8.06 0.60 -0.34 5.44 0.11 -1.84 -0.50 132.00 143.54 3gdt h PRO 16 Ca -0.32 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 3gdt h PRO 16 Cb 1.16 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gdt h PRO 16 CO 0.65 0.40 -0.44 0.28 -0.21 0.00 0.00 178.00 178.68 3gdt h VAL 17 N 0.62 1.28 -0.40 3.15 2.07 -1.87 -0.94 116.25 120.15 3gdt h VAL 17 Ca 0.25 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 3gdt h VAL 17 Cb 0.20 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3gdt h VAL 17 CO -0.07 0.53 0.05 0.00 0.02 0.00 0.00 177.57 178.10 3gdt h ALA 18 N 0.80 0.53 -0.97 1.67 0.00 -1.78 -0.66 119.26 118.84 3gdt h ALA 18 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3gdt h ALA 18 Cb 1.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3gdt h ALA 18 CO 0.10 0.26 0.64 0.00 0.00 0.00 0.00 179.25 180.26 3gdt h ALA 19 N 0.91 1.23 -0.66 0.00 0.00 -0.99 0.66 119.26 120.41 3gdt h ALA 19 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3gdt h ALA 19 Cb 0.40 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3gdt h ALA 19 CO 0.01 0.62 0.16 -0.22 0.00 0.00 0.00 179.25 179.82 3gdt h LYS 20 N 1.31 1.07 -0.16 0.00 3.64 -0.84 -1.50 116.57 120.08 3gdt h LYS 20 Ca 0.36 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3gdt h LYS 20 Cb -0.15 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 3gdt h LYS 20 CO -0.08 0.95 -0.03 1.25 -2.27 0.00 0.00 179.45 179.28 3gdt h LEU 21 N 0.99 0.31 -1.09 5.20 5.85 -0.36 -1.96 115.31 124.24 3gdt h LEU 21 Ca 0.21 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3gdt h LEU 21 Cb 0.37 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3gdt h LEU 21 CO 0.00 0.58 0.61 -0.26 -0.34 0.00 0.00 178.44 179.04 3gdt h PHE 22 N 0.02 1.12 -0.54 1.25 0.04 -0.79 -0.95 116.94 117.08 3gdt h PHE 22 Ca 0.04 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 3gdt h PHE 22 Cb 0.44 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3gdt h PHE 22 CO 0.05 0.62 0.14 -0.97 -0.60 0.00 0.00 178.31 177.55 3gdt h ASN 23 N 1.13 0.82 -0.49 2.17 -0.73 -1.11 -1.22 115.58 116.15 3gdt h ASN 23 Ca 0.39 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.33 3gdt h ASN 23 Cb 0.10 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 3gdt h ASN 23 CO -0.14 0.83 0.31 0.40 -0.37 0.00 0.00 177.43 178.47 3gdt h ILE 24 N 0.77 1.14 -0.49 2.57 2.04 -0.56 -0.15 117.51 122.83 3gdt h ILE 24 Ca 0.17 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3gdt h ILE 24 Cb 0.33 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3gdt h ILE 24 CO 0.00 0.14 0.32 0.24 0.00 0.00 0.00 178.15 178.85 3gdt h MET 25 N 0.67 0.64 0.03 2.37 2.86 -0.94 -0.58 114.93 119.98 3gdt h MET 25 Ca 0.18 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3gdt h MET 25 Cb -0.04 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3gdt h MET 25 CO -0.04 0.42 -0.02 1.25 1.06 0.00 0.00 176.91 179.59 3gdt h HIS 26 N 0.66 -0.04 -0.68 -0.22 -0.00 -0.90 -0.88 115.15 113.08 3gdt h HIS 26 Ca 0.18 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 3gdt h HIS 26 Cb -0.07 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 3gdt h HIS 26 CO -0.04 0.14 0.23 0.93 -0.00 0.00 0.00 177.93 179.18 3gdt h GLU 27 N -0.22 1.05 -0.04 5.26 5.08 -0.85 -3.08 114.58 121.79 3gdt h GLU 27 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3gdt h GLU 27 Cb 0.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gdt h GLU 27 CO 0.01 0.90 0.00 1.63 -1.00 0.00 0.00 179.01 180.54 3gdt n LYS 28 N -4.34 1.88 -3.71 2.33 5.02 -0.24 -4.96 118.16 114.13 3gdt n LYS 28 Ca 0.05 -1.28 -0.25 0.00 -2.02 0.00 0.00 58.31 54.81 3gdt n LYS 28 Cb 0.21 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.55 -3.26 -3.76 1.97 6.02 -0.39 -4.99 117.38 113.52 3gdt n GLN 29 Ca 0.17 0.55 -0.13 0.00 -0.01 0.00 0.00 57.00 57.58 3gdt n GLN 29 Cb 0.43 -4.78 -0.11 0.00 1.02 0.00 0.00 30.24 26.80 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 -3.65 -0.00 -0.11 5.09 -1.32 -0.89 -4.80 115.64 109.96 3gdt s THR 30 Ca 0.18 0.01 0.14 0.00 -1.21 0.00 0.00 61.69 60.81 3gdt s THR 30 Cb -0.06 -0.45 0.29 0.00 -1.51 0.00 0.00 72.50 70.78 3gdt s THR 30 CO 0.84 0.00 1.14 -0.46 -2.21 0.00 0.00 174.62 173.93 3gdt n ASN 31 N 2.98 1.48 -4.72 8.08 0.23 -1.26 -4.29 115.26 117.75 3gdt n ASN 31 Ca -0.14 -2.93 -0.38 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 -1.94 4.27 -0.16 -4.53 2.96 -1.26 -1.39 118.68 116.63 3gdt s LEU 32 Ca 0.28 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.94 3gdt s LEU 32 Cb 0.27 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3gdt s LEU 32 CO -0.04 0.01 -0.11 0.00 -1.32 0.00 0.00 176.35 174.89 3gdt s ALA 34 N 0.77 3.57 -0.40 0.00 0.00 -0.67 -1.32 121.76 123.70 3gdt s ALA 34 Ca -0.04 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 3gdt s ALA 34 Cb -0.15 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.31 3gdt s ALA 34 CO 0.01 -0.56 0.28 0.45 0.00 0.00 0.00 175.76 175.94 3gdt s SER 35 N 1.47 6.02 -0.27 0.00 0.15 0.19 -0.57 113.70 120.70 3gdt s SER 35 Ca 0.16 -0.94 -0.04 0.00 0.70 0.00 0.00 55.95 55.83 3gdt s SER 35 Cb -0.15 -2.13 0.02 0.00 -1.71 0.00 0.00 66.02 62.05 3gdt s SER 35 CO 0.09 -0.44 -0.00 -0.76 1.20 0.00 0.00 173.24 173.33 3gdt s LEU 36 N 1.65 3.46 -0.64 3.45 1.43 -0.66 -4.27 118.68 123.09 3gdt s LEU 36 Ca 0.04 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 3gdt s LEU 36 Cb -0.19 -1.75 0.16 0.00 0.03 0.00 0.00 46.19 44.44 3gdt s LEU 36 CO 0.09 -0.15 0.44 1.51 0.23 0.00 0.00 176.35 178.47 3gdt s ASP 37 N 1.39 4.97 0.30 2.29 -4.77 -1.26 -3.79 116.67 115.81 3gdt s ASP 37 Ca 0.01 -3.20 0.11 0.00 -3.30 0.00 0.00 52.55 46.17 3gdt s ASP 37 Cb -0.17 -1.76 -0.06 0.00 -1.09 0.00 0.00 42.92 39.85 3gdt s ASP 37 CO -0.02 -0.25 -0.16 0.68 0.70 0.00 0.00 175.17 176.12 3gdt s VAL 38 N -0.56 2.39 0.09 2.11 -7.23 -1.26 -5.07 120.40 110.86 3gdt s VAL 38 Ca 0.20 -2.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 3gdt s VAL 38 Cb -0.18 -2.43 -0.24 0.00 0.56 0.00 0.00 36.38 34.10 3gdt s VAL 38 CO -0.06 -0.33 1.17 -0.09 -0.31 0.00 0.00 175.10 175.49 3gdt h ARG 39 N 2.18 0.09 -6.81 4.82 2.43 -1.97 -3.38 114.38 111.73 3gdt h ARG 39 Ca -0.41 -0.16 -0.68 0.00 -0.81 0.00 0.00 59.98 57.93 3gdt h ARG 39 Cb 1.26 0.06 -0.21 0.00 -0.42 0.00 0.00 29.97 30.66 3gdt h ARG 39 CO 0.64 1.04 -0.85 0.95 -1.51 0.00 0.00 179.97 180.24 3gdt s THR 40 N -2.68 2.34 0.27 0.20 -4.23 -1.26 -0.64 115.64 109.64 3gdt s THR 40 Ca -0.01 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 3gdt s THR 40 Cb 0.09 -2.06 0.25 0.00 1.34 0.00 0.00 72.50 72.11 3gdt s THR 40 CO 0.84 0.04 1.93 0.74 -0.54 0.00 0.00 174.62 177.63 3gdt h THR 41 N 3.66 1.24 -0.39 3.99 2.02 -1.91 -1.60 112.91 119.92 3gdt h THR 41 Ca -0.50 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.25 3gdt h THR 41 Cb 1.18 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3gdt h THR 41 CO 0.42 0.24 0.16 0.50 0.37 0.00 0.00 175.52 177.21 3gdt h LYS 42 N 1.23 0.33 -0.60 6.66 3.64 -1.95 0.58 116.57 126.46 3gdt h LYS 42 Ca 0.33 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3gdt h LYS 42 Cb -0.11 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 3gdt h LYS 42 CO -0.07 0.22 0.19 0.93 -2.27 0.00 0.00 179.45 178.45 3gdt h GLU 43 N 0.34 0.92 0.29 1.90 5.08 -1.87 -2.07 114.58 119.17 3gdt h GLU 43 Ca 0.17 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3gdt h GLU 43 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3gdt h GLU 43 CO -0.15 0.82 -0.20 1.25 -1.00 0.00 0.00 179.01 179.73 3gdt h LEU 44 N 0.84 -0.51 -1.41 1.33 5.85 -0.61 -1.91 115.31 118.89 3gdt h LEU 44 Ca 0.19 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3gdt h LEU 44 Cb 0.28 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3gdt h LEU 44 CO -0.01 -0.31 0.20 -0.07 -0.34 0.00 0.00 178.44 177.91 3gdt h LEU 45 N -0.48 0.53 -0.30 2.25 3.38 -0.85 -0.68 115.31 119.16 3gdt h LEU 45 Ca -0.02 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3gdt h LEU 45 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gdt h LEU 45 CO 0.01 0.46 0.09 -0.33 0.09 0.00 0.00 178.44 178.76 3gdt h GLU 46 N 0.59 0.47 -0.54 1.13 5.08 -1.13 -1.43 114.58 118.77 3gdt h GLU 46 Ca 0.15 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3gdt h GLU 46 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3gdt h GLU 46 CO -0.02 0.53 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.34 3gdt h LEU 47 N 0.33 1.03 -0.85 1.33 3.38 -0.90 -2.75 115.31 116.87 3gdt h LEU 47 Ca 0.10 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3gdt h LEU 47 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3gdt h LEU 47 CO -0.00 1.14 0.17 0.58 0.09 0.00 0.00 178.44 180.42 3gdt h VAL 48 N 0.91 1.25 -0.48 1.22 2.07 -1.04 -0.93 116.25 119.25 3gdt h VAL 48 Ca 0.14 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3gdt h VAL 48 Cb 0.69 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3gdt h VAL 48 CO 0.05 0.35 0.27 -0.08 0.02 0.00 0.00 177.57 178.18 3gdt h GLU 49 N 0.98 0.53 -0.00 1.57 4.57 -1.12 0.26 114.58 121.36 3gdt h GLU 49 Ca 0.21 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.22 3gdt h GLU 49 Cb 0.33 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3gdt h GLU 49 CO -0.00 0.35 -0.67 0.00 -1.18 0.00 0.00 179.01 177.51 3gdt h ALA 50 N 1.23 0.89 0.00 2.92 0.00 -1.18 -3.31 119.26 119.81 3gdt h ALA 50 Ca 0.20 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3gdt h ALA 50 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gdt h ALA 50 CO -0.10 0.83 -1.51 1.28 0.00 0.00 0.00 179.25 179.74 3gdt n LEU 51 N -3.75 0.42 -0.36 0.00 4.77 -0.39 -4.40 117.00 113.29 3gdt n LEU 51 Ca -0.01 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3gdt n LEU 51 Cb 0.66 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3gdt n LEU 51 CO 0.43 -0.09 0.54 0.61 -1.33 0.00 0.00 177.39 177.54 3gdt n GLY 52 N 1.22 -1.99 0.30 -0.72 0.00 0.88 -0.58 105.19 104.31 3gdt n GLY 52 Ca -0.02 1.06 0.17 0.00 0.00 0.00 0.00 46.02 47.23 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 -1.82 -3.10 132.00 128.77 3gdt h PRO 53 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3gdt h PRO 53 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3gdt h PRO 53 CO -0.93 0.02 -0.12 1.63 -0.21 0.00 0.00 178.00 178.39 3gdt n LYS 54 N -3.53 1.75 -4.45 1.05 4.76 0.25 -5.00 118.16 112.99 3gdt n LYS 54 Ca -0.03 -1.49 -0.25 0.00 -2.87 0.00 0.00 58.31 53.68 3gdt n LYS 54 Cb 0.12 -1.39 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 3gdt n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gdt s ILE 55 N -1.87 2.53 -0.15 -0.18 -4.36 -1.07 -4.61 121.20 111.49 3gdt s ILE 55 Ca 0.22 -2.29 0.16 0.00 -0.26 0.00 0.00 60.65 58.48 3gdt s ILE 55 Cb 0.17 -2.31 -0.23 0.00 1.25 0.00 0.00 42.46 41.34 3gdt s ILE 55 CO 0.33 -0.34 0.40 0.00 0.24 0.00 0.00 174.94 175.58 3gdt s LEU 57 N -3.86 0.36 -0.18 0.00 2.96 -1.22 -1.83 118.68 114.91 3gdt s LEU 57 Ca -0.04 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 3gdt s LEU 57 Cb 0.10 1.52 0.00 0.00 0.50 0.00 0.00 46.19 48.32 3gdt s LEU 57 CO 0.66 -0.22 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.10 3gdt s LEU 58 N -0.10 2.44 -0.38 -0.68 2.96 -0.25 -1.67 118.68 121.01 3gdt s LEU 58 Ca -0.03 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 3gdt s LEU 58 Cb -0.03 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3gdt s LEU 58 CO 0.02 0.03 0.37 -0.75 -1.32 0.00 0.00 176.35 174.69 3gdt s LYS 59 N 1.15 3.33 0.47 1.98 2.20 0.27 -0.64 119.74 128.50 3gdt s LYS 59 Ca 0.01 -0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 3gdt s LYS 59 Cb -0.14 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 3gdt s LYS 59 CO -0.06 -0.66 0.72 0.95 -0.36 0.00 0.00 175.35 175.95 3gdt s THR 60 N 1.99 4.26 -0.41 3.43 -4.23 0.16 -1.65 115.64 119.19 3gdt s THR 60 Ca 0.11 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 3gdt s THR 60 Cb -0.17 -3.60 0.23 0.00 1.34 0.00 0.00 72.50 70.30 3gdt s THR 60 CO 0.12 -0.49 0.49 1.41 -0.54 0.00 0.00 174.62 175.61 3gdt n HIS 61 N -2.17 -0.22 0.27 3.99 8.25 -1.25 -0.82 115.22 123.27 3gdt n HIS 61 Ca 0.01 -3.55 0.13 0.00 -0.26 0.00 0.00 57.72 54.05 3gdt n HIS 61 Cb 0.57 -0.22 0.78 0.00 1.12 0.00 0.00 29.99 32.24 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 2.70 0.58 0.00 1.59 -1.51 -1.96 -2.93 116.25 114.72 3gdt h VAL 62 Ca 0.12 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3gdt h VAL 62 Cb 0.87 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3gdt h VAL 62 CO 0.46 0.08 0.00 0.44 -1.23 0.00 0.00 177.57 177.32 3gdt h ASP 63 N 0.00 0.00 -0.02 4.19 3.32 -1.98 -2.62 116.42 119.31 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 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3gdt h ASP 63 CO 0.01 0.00 -0.15 2.30 -1.72 0.00 0.00 179.24 179.68 3gdt n ILE 64 N -2.88 0.00 -2.38 0.35 -5.35 -1.11 -4.93 119.36 103.07 3gdt n ILE 64 Ca 0.00 -0.43 -0.40 0.00 -0.27 0.00 0.00 62.75 61.65 3gdt n ILE 64 Cb 0.23 1.38 -0.04 0.00 -1.74 0.00 0.00 39.64 39.48 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 -2.00 4.52 0.05 7.28 1.43 -0.99 -4.55 118.68 124.42 3gdt s LEU 65 Ca 0.23 2.38 0.23 0.00 -1.03 0.00 0.00 54.13 55.94 3gdt s LEU 65 Cb 0.18 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.86 3gdt s LEU 65 CO 0.36 -0.25 1.07 0.35 0.23 0.00 0.00 176.35 178.11 3gdt n THR 66 N 1.08 0.16 -2.52 5.49 -2.24 0.18 -4.42 114.28 112.01 3gdt n THR 66 Ca -0.01 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 3gdt n THR 66 Cb 0.44 0.23 0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.91 2.88 -4.77 3.42 5.68 -1.26 -5.09 116.55 115.50 3gdt n ASP 67 Ca 0.02 -2.72 -0.40 0.00 -0.50 0.00 0.00 54.79 51.19 3gdt n ASP 67 Cb 0.42 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 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 -3.71 3.04 -0.13 2.11 5.36 -1.26 -4.75 117.98 118.65 3gdt s PHE 68 Ca 0.36 1.44 -0.29 0.00 -0.96 0.00 0.00 56.93 57.48 3gdt s PHE 68 Cb 0.36 -3.64 0.07 0.00 -0.34 0.00 0.00 43.02 39.47 3gdt s PHE 68 CO -0.01 -1.79 0.70 -1.54 -1.46 0.00 0.00 175.22 171.12 3gdt s SER 69 N -0.59 -0.68 0.22 6.13 1.04 -1.26 -4.98 113.70 113.58 3gdt s SER 69 Ca 0.50 0.96 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 3gdt s SER 69 Cb -0.38 0.85 0.19 0.00 0.10 0.00 0.00 66.02 66.77 3gdt s SER 69 CO 0.51 -0.48 1.86 0.24 0.98 0.00 0.00 173.24 176.35 3gdt h MET 70 N 3.67 1.15 0.10 4.02 2.86 -1.96 0.16 114.93 124.94 3gdt h MET 70 Ca -0.28 -0.11 -0.26 0.00 -2.06 0.00 0.00 59.70 56.99 3gdt h MET 70 Cb 1.15 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3gdt h MET 70 CO 0.27 0.81 -1.18 1.49 1.06 0.00 0.00 176.91 179.37 3gdt h GLU 71 N 1.16 0.30 0.00 1.72 4.81 -1.96 -0.38 114.58 120.23 3gdt h GLU 71 Ca 0.30 -0.46 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 3gdt h GLU 71 Cb -0.04 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3gdt h GLU 71 CO -0.06 1.19 -1.38 0.41 -0.73 0.00 0.00 179.01 178.45 3gdt n GLY 72 N 1.41 -1.27 0.60 1.92 0.00 -1.18 -4.24 105.19 102.42 3gdt n GLY 72 Ca -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 3gdt n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdt n THR 73 N -2.68 1.33 -0.08 2.61 -1.04 0.55 -4.62 114.28 110.35 3gdt n THR 73 Ca -0.06 0.28 -0.10 0.00 -2.04 0.00 0.00 64.05 62.13 3gdt n THR 73 Cb 0.68 -1.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 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 -0.46 1.18 0.18 12.58 2.07 -1.39 -1.92 116.25 128.48 3gdt h VAL 74 Ca 0.00 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.99 3gdt h VAL 74 Cb 0.46 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3gdt h VAL 74 CO 0.00 0.18 -0.30 0.50 0.02 0.00 0.00 177.57 177.97 3gdt h LYS 75 N 0.25 -0.54 0.00 1.57 3.64 -1.24 0.88 116.57 121.13 3gdt h LYS 75 Ca 0.08 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3gdt h LYS 75 Cb 0.19 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3gdt h LYS 75 CO -0.01 -0.36 -0.25 -1.00 -2.27 0.00 0.00 179.45 175.57 3gdt h PRO 76 N -0.56 0.00 -0.39 1.90 0.13 -1.76 -2.12 132.00 129.20 3gdt h PRO 76 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 3gdt h PRO 76 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3gdt h PRO 76 CO -0.14 0.25 -0.22 1.25 -0.23 0.00 0.00 178.00 178.91 3gdt h LEU 77 N 0.00 0.86 -0.93 1.56 5.85 -0.71 -1.76 115.31 120.18 3gdt h LEU 77 Ca -0.00 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 3gdt h LEU 77 Cb 0.55 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3gdt h LEU 77 CO 0.03 1.09 -0.05 0.11 -0.34 0.00 0.00 178.44 179.29 3gdt h LYS 78 N 0.63 0.73 -0.65 1.25 1.79 -0.53 -0.81 116.57 118.98 3gdt h LYS 78 Ca 0.08 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 3gdt h LYS 78 Cb 0.78 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3gdt h LYS 78 CO 0.06 0.77 0.24 0.00 -1.08 0.00 0.00 179.45 179.45 3gdt h ALA 79 N 1.27 0.84 -0.52 3.86 0.00 -1.17 -1.41 119.26 122.14 3gdt h ALA 79 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3gdt h ALA 79 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gdt h ALA 79 CO 0.02 0.47 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 3gdt h LEU 80 N 0.91 0.92 -0.83 0.00 3.38 -0.96 0.24 115.31 118.97 3gdt h LEU 80 Ca 0.21 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gdt h LEU 80 Cb 0.23 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3gdt h LEU 80 CO -0.01 1.01 0.52 -1.28 0.09 0.00 0.00 178.44 178.77 3gdt h SER 81 N 0.80 0.84 -0.10 -0.43 0.87 -0.85 0.25 113.55 114.93 3gdt h SER 81 Ca 0.14 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 3gdt h SER 81 Cb 0.56 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3gdt h SER 81 CO 0.03 0.56 -0.45 0.00 -0.53 0.00 0.00 176.83 176.44 3gdt h ALA 82 N 1.37 0.19 -0.36 6.23 0.00 -1.04 0.20 119.26 125.86 3gdt h ALA 82 Ca 0.35 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gdt h ALA 82 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gdt h ALA 82 CO -0.15 0.34 0.20 -0.22 0.00 0.00 0.00 179.25 179.42 3gdt h LYS 83 N 0.06 0.50 -0.02 0.00 3.64 -0.60 -3.21 116.57 116.94 3gdt h LYS 83 Ca -0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3gdt h LYS 83 Cb 1.09 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3gdt h LYS 83 CO 0.09 0.40 -0.44 0.66 -2.27 0.00 0.00 179.45 177.89 3gdt n TYR 84 N -4.77 0.00 -2.88 1.91 4.01 0.05 -5.04 117.16 110.43 3gdt n TYR 84 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3gdt n TYR 84 Cb 0.07 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.04 -7.72 -3.71 7.72 5.15 0.02 -4.64 115.26 112.05 3gdt n ASN 85 Ca 0.10 0.30 -0.10 0.00 -0.60 0.00 0.00 54.58 54.28 3gdt n ASN 85 Cb 0.46 -5.23 -0.05 0.00 -0.53 0.00 0.00 39.78 34.42 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 -2.72 -0.09 0.35 1.20 -0.12 -0.97 -4.83 117.98 110.80 3gdt s PHE 86 Ca 0.15 -0.27 0.07 0.00 -0.05 0.00 0.00 56.93 56.83 3gdt s PHE 86 Cb -0.04 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 3gdt s PHE 86 CO 0.74 -0.65 0.47 -0.51 -0.05 0.00 0.00 175.22 175.22 3gdt s LEU 87 N -2.81 3.91 -0.14 -1.99 1.43 -0.76 -4.69 118.68 113.63 3gdt s LEU 87 Ca 0.03 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3gdt s LEU 87 Cb 0.03 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3gdt s LEU 87 CO -0.12 -0.47 -0.03 -0.76 0.23 0.00 0.00 176.35 175.21 3gdt s LEU 88 N -4.18 3.33 -0.20 1.79 1.43 -1.26 -1.09 118.68 118.49 3gdt s LEU 88 Ca 0.46 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3gdt s LEU 88 Cb -0.09 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.39 3gdt s LEU 88 CO 0.31 0.22 -0.01 0.12 0.23 0.00 0.00 176.35 177.21 3gdt s PHE 89 N 0.08 1.67 0.04 0.29 5.36 0.19 -1.32 117.98 124.29 3gdt s PHE 89 Ca 0.00 -1.24 -0.21 0.00 -0.96 0.00 0.00 56.93 54.52 3gdt s PHE 89 Cb -0.13 -1.29 -0.06 0.00 -0.34 0.00 0.00 43.02 41.20 3gdt s PHE 89 CO 0.03 -0.67 0.62 -2.00 -1.46 0.00 0.00 175.22 171.73 3gdt s GLU 90 N 1.64 4.32 0.23 10.12 2.56 -0.99 -0.66 118.70 135.92 3gdt s GLU 90 Ca -0.03 0.80 -0.07 0.00 0.00 0.00 0.00 54.97 55.68 3gdt s GLU 90 Cb -0.17 -3.31 0.29 0.00 2.00 0.00 0.00 34.13 32.93 3gdt s GLU 90 CO -0.07 0.45 1.85 -0.97 -0.56 0.00 0.00 175.26 175.96 3gdt h ASN 91 N 5.23 0.79 -0.11 -1.70 -1.24 -1.33 -3.39 115.58 113.83 3gdt h ASN 91 Ca -0.46 0.01 -0.37 0.00 0.71 0.00 0.00 56.30 56.19 3gdt h ASN 91 Cb 1.21 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.09 3gdt h ASN 91 CO 0.68 0.52 0.54 -1.14 -1.29 0.00 0.00 177.43 176.73 3gdt n ARG 92 N -4.64 0.00 -2.90 6.67 0.63 -1.26 -4.78 116.66 110.37 3gdt n ARG 92 Ca 0.11 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.60 3gdt n ARG 92 Cb 0.15 -0.69 -0.02 0.00 0.45 0.00 0.00 32.46 32.35 3gdt n ARG 92 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3gdt s LYS 93 N 2.44 3.69 0.33 -0.14 1.02 -1.26 -4.34 119.74 121.47 3gdt s LYS 93 Ca 0.54 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 3gdt s LYS 93 Cb -0.69 -4.98 -0.12 0.00 -0.52 0.00 0.00 37.83 31.52 3gdt s LYS 93 CO 0.32 -1.81 1.39 1.19 -0.92 0.00 0.00 175.35 175.52 3gdt n PHE 94 N 6.57 2.47 -2.70 3.18 3.72 -1.09 -4.73 117.46 124.88 3gdt n PHE 94 Ca 0.27 0.48 -0.06 0.00 -0.05 0.00 0.00 57.45 58.08 3gdt n PHE 94 Cb 0.48 -2.47 0.09 0.00 -0.94 0.00 0.00 39.48 36.65 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 0.84 2.12 -3.08 4.37 0.00 -1.26 -1.13 120.51 122.37 3gdt n ALA 95 Ca 0.06 -1.80 -0.14 0.00 0.00 0.00 0.00 53.44 51.56 3gdt n ALA 95 Cb 0.36 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3gdt n ALA 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gdt s ASP 96 N -1.85 0.81 0.38 0.00 -1.08 -1.26 -4.91 116.67 108.76 3gdt s ASP 96 Ca 0.22 -1.46 0.06 0.00 -0.52 0.00 0.00 52.55 50.85 3gdt s ASP 96 Cb 0.42 0.72 -0.02 0.00 -1.46 0.00 0.00 42.92 42.57 3gdt s ASP 96 CO -0.06 -1.41 0.23 2.30 0.52 0.00 0.00 175.17 176.75 3gdt n ILE 97 N -0.58 0.00 -4.72 4.11 -5.35 -1.26 -4.51 119.36 107.05 3gdt n ILE 97 Ca -0.01 -2.49 0.00 0.00 -0.27 0.00 0.00 62.75 59.98 3gdt n ILE 97 Cb 0.61 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 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 -0.79 0.39 0.27 3.28 0.00 -1.26 -3.07 105.19 104.01 3gdt n GLY 98 Ca 0.01 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 3.00 0.12 0.40 1.61 2.35 -1.99 -2.05 115.58 119.02 3gdt h ASN 99 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3gdt h ASN 99 Cb 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3gdt h ASN 99 CO 0.00 0.09 -0.27 0.74 -1.65 0.00 0.00 177.43 176.34 3gdt h THR 100 N 0.14 0.45 -0.13 2.81 2.02 -1.98 -0.70 112.91 115.52 3gdt h THR 100 Ca 0.04 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 3gdt h THR 100 Cb -0.01 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3gdt h THR 100 CO -0.01 0.00 -0.37 1.62 0.37 0.00 0.00 175.52 177.13 3gdt h VAL 101 N -0.65 1.29 -0.53 3.16 3.04 -1.41 -1.19 116.25 119.96 3gdt h VAL 101 Ca -0.04 -1.43 -0.03 0.00 -1.01 0.00 0.00 66.70 64.19 3gdt h VAL 101 Cb 0.54 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.40 3gdt h VAL 101 CO 0.03 0.43 0.21 0.11 -1.01 0.00 0.00 177.57 177.34 3gdt h LYS 102 N 0.23 0.80 0.00 4.17 1.57 -1.17 -2.19 116.57 119.97 3gdt h LYS 102 Ca 0.03 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 3gdt h LYS 102 Cb 0.76 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3gdt h LYS 102 CO 0.06 0.70 -0.74 -0.07 -0.57 0.00 0.00 179.45 178.83 3gdt h LEU 103 N 0.72 0.00 -1.28 2.94 3.38 -0.94 0.38 115.31 120.50 3gdt h LEU 103 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3gdt h LEU 103 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3gdt h LEU 103 CO -0.01 0.74 -0.36 1.56 0.09 0.00 0.00 178.44 180.46 3gdt h GLN 104 N 0.00 0.00 0.16 1.13 4.20 -1.02 -0.23 115.11 119.35 3gdt h GLN 104 Ca -0.01 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 3gdt h GLN 104 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 3gdt h GLN 104 CO 0.10 0.36 -1.83 -0.92 -0.67 0.00 0.00 178.83 175.86 3gdt h TYR 105 N 0.00 0.61 0.00 2.96 3.20 -1.21 -3.42 116.97 119.11 3gdt h TYR 105 Ca -0.00 -0.44 -0.33 0.00 3.14 0.00 0.00 58.73 61.10 3gdt h TYR 105 Cb 0.64 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 3gdt h TYR 105 CO 0.00 1.69 -1.99 -1.13 -1.64 0.00 0.00 178.16 175.09 3gdt n SER 106 N -3.53 0.60 0.00 -2.11 3.41 0.11 -0.38 113.62 111.71 3gdt n SER 106 Ca -0.27 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3gdt n SER 106 Cb 1.06 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 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 -2.66 0.00 -0.50 7.33 0.00 -0.10 -4.42 120.51 120.16 3gdt n ALA 107 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 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 -1.28 0.14 0.00 0.00 -1.26 -1.24 105.19 106.54 3gdt n GLY 108 Ca 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.85 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 1.05 0.03 1.61 -1.51 -1.97 -3.32 116.25 112.13 3gdt h VAL 109 Ca 0.00 -2.30 -0.22 0.00 -1.23 0.00 0.00 66.70 62.96 3gdt h VAL 109 Cb 0.00 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 3gdt h VAL 109 CO 0.00 0.56 -1.01 1.88 -1.23 0.00 0.00 177.57 177.77 3gdt h TYR 110 N 0.00 0.13 -6.99 5.19 0.05 -1.96 -3.45 116.97 109.95 3gdt h TYR 110 Ca -0.01 -0.09 -0.60 0.00 0.05 0.00 0.00 58.73 58.08 3gdt h TYR 110 Cb 1.34 -0.01 -0.20 0.00 1.01 0.00 0.00 36.73 38.88 3gdt h TYR 110 CO 0.00 1.03 -0.95 0.54 -1.05 0.00 0.00 178.16 177.73 3gdt n ARG 111 N -3.45 -1.37 -0.30 4.88 1.74 -0.37 -4.81 116.66 112.97 3gdt n ARG 111 Ca -0.02 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 3gdt n ARG 111 Cb 0.92 -3.86 0.29 0.00 -1.02 0.00 0.00 32.46 28.80 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 -1.72 0.50 0.00 0.55 2.04 -1.72 -0.99 117.51 116.17 3gdt h ILE 112 Ca -0.65 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3gdt h ILE 112 Cb 1.39 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3gdt h ILE 112 CO 0.71 0.08 -0.04 0.00 0.00 0.00 0.00 178.15 178.90 3gdt h ALA 113 N 1.69 1.34 0.00 1.87 0.00 -0.98 0.51 119.26 123.69 3gdt h ALA 113 Ca 0.54 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 3gdt h ALA 113 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3gdt h ALA 113 CO -0.51 0.05 -0.27 0.93 0.00 0.00 0.00 179.25 179.45 3gdt h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.44 -3.39 114.58 114.83 3gdt h GLU 114 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gdt h GLU 114 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3gdt h GLU 114 CO 0.00 0.27 -0.49 -2.67 -1.00 0.00 0.00 179.01 175.12 3gdt n TRP 115 N -3.51 0.00 -2.66 4.33 4.27 -0.87 -5.03 117.44 113.98 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 0.43 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.35 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 -1.18 3.32 0.23 -1.67 0.00 0.12 -4.79 121.76 117.79 3gdt s ALA 116 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 3gdt s ALA 116 Cb 0.00 -3.75 0.21 0.00 0.00 0.00 0.00 23.12 19.59 3gdt s ALA 116 CO 0.00 -1.86 1.87 -0.44 0.00 0.00 0.00 175.76 175.33 3gdt h ASP 117 N 8.68 1.11 -4.25 0.00 3.32 -1.53 -3.44 116.42 120.32 3gdt h ASP 117 Ca -0.22 -0.08 -0.49 0.00 0.02 0.00 0.00 57.03 56.26 3gdt h ASP 117 Cb 1.06 -0.28 -0.28 0.00 0.22 0.00 0.00 39.33 40.05 3gdt h ASP 117 CO 1.07 0.87 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.01 3gdt s ILE 118 N -5.91 1.17 0.32 0.35 1.01 -0.44 -1.53 121.20 116.18 3gdt s ILE 118 Ca -0.13 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3gdt s ILE 118 Cb 0.17 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3gdt s ILE 118 CO 0.82 0.23 0.16 0.42 0.00 0.00 0.00 174.94 176.58 3gdt s THR 119 N -0.50 0.39 0.06 2.92 -4.23 -0.86 -2.35 115.64 111.07 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 -3.42 0.77 0.02 3.99 2.20 -1.26 -0.96 114.94 116.29 3gdt s ASN 120 Ca 0.34 -0.83 -0.01 0.00 -0.94 0.00 0.00 52.86 51.42 3gdt s ASN 120 Cb 0.05 0.11 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 3gdt s ASN 120 CO 0.18 -0.42 -0.01 0.00 -2.94 0.00 0.00 177.10 173.91 3gdt s ALA 121 N -2.87 0.10 -0.04 3.54 0.00 -0.30 -2.68 121.76 119.51 3gdt s ALA 121 Ca 0.01 -0.59 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 3gdt s ALA 121 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3gdt s ALA 121 CO -0.04 -0.19 0.77 -1.01 0.00 0.00 0.00 175.76 175.28 3gdt s HIS 122 N -1.72 3.61 -1.29 0.00 3.76 -0.28 -0.79 115.29 118.58 3gdt s HIS 122 Ca -0.13 1.37 0.29 0.00 -0.15 0.00 0.00 55.06 56.43 3gdt s HIS 122 Cb -0.08 -2.87 1.37 0.00 1.11 0.00 0.00 32.58 32.12 3gdt s HIS 122 CO -0.02 0.09 1.97 0.41 -0.85 0.00 0.00 174.74 176.34 3gdt n GLY 123 N 2.97 -1.31 0.42 -2.22 0.00 -1.26 -4.09 105.19 99.70 3gdt n GLY 123 Ca 0.00 -0.12 0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 0.60 0.00 1.61 3.04 -1.94 0.20 116.25 119.75 3gdt h VAL 124 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3gdt h VAL 124 Cb 0.34 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 3gdt h VAL 124 CO 0.00 0.06 0.00 1.33 -1.01 0.00 0.00 177.57 177.95 3gdt n VAL 125 N -4.48 0.07 0.00 1.51 0.24 -1.26 -5.02 118.33 109.39 3gdt n VAL 125 Ca 0.21 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3gdt n VAL 125 Cb 0.83 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 0.98 0.45 0.21 7.63 0.00 0.06 -4.56 105.19 109.96 3gdt n GLY 126 Ca 0.16 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.38 3gdt n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdt h PRO 127 N 0.00 0.00 -0.02 1.61 0.13 -1.94 -2.39 132.00 129.39 3gdt h PRO 127 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3gdt h PRO 127 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gdt h PRO 127 CO 0.00 0.00 0.03 0.78 -0.23 0.00 0.00 178.00 178.58 3gdt h GLY 128 N 0.00 0.00 1.86 1.56 0.00 -1.96 -0.52 103.07 104.00 3gdt h GLY 128 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3gdt h GLY 128 CO 0.00 0.00 -0.76 1.19 0.00 0.00 0.00 176.54 176.97 3gdt h ILE 129 N 0.00 1.48 0.10 2.60 2.10 -1.66 -1.00 117.51 121.14 3gdt h ILE 129 Ca 0.01 -2.45 -0.01 0.00 1.08 0.00 0.00 64.86 63.50 3gdt h ILE 129 Cb 0.06 2.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 3gdt h ILE 129 CO -0.00 0.71 -0.05 0.58 -1.08 0.00 0.00 178.15 178.31 3gdt h VAL 130 N 0.08 1.10 -0.43 2.19 2.07 -1.33 -1.80 116.25 118.14 3gdt h VAL 130 Ca -0.02 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3gdt h VAL 130 Cb 1.34 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3gdt h VAL 130 CO 0.11 0.27 0.08 0.77 0.02 0.00 0.00 177.57 178.82 3gdt h SER 131 N -0.73 0.61 -0.04 0.57 4.64 -1.45 -0.49 113.55 116.66 3gdt h SER 131 Ca -0.01 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3gdt h SER 131 Cb 0.55 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3gdt h SER 131 CO 0.02 0.63 -0.02 1.23 -0.87 0.00 0.00 176.83 177.82 3gdt h GLY 132 N 0.87 0.10 1.63 -0.77 0.00 -1.23 -1.71 103.07 101.97 3gdt h GLY 132 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3gdt h GLY 132 CO 0.00 0.08 -0.15 1.41 0.00 0.00 0.00 176.54 177.88 3gdt h LEU 133 N -0.31 0.43 -0.36 3.11 3.38 -1.21 -1.48 115.31 118.88 3gdt h LEU 133 Ca 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3gdt h LEU 133 Cb 0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3gdt h LEU 133 CO 0.01 0.61 0.11 0.50 0.09 0.00 0.00 178.44 179.75 3gdt h LYS 134 N 0.41 0.56 -0.44 1.13 3.64 -1.05 -0.14 116.57 120.69 3gdt h LYS 134 Ca 0.07 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3gdt h LYS 134 Cb 0.50 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3gdt h LYS 134 CO 0.03 0.59 0.20 0.37 -2.27 0.00 0.00 179.45 178.37 3gdt h GLN 135 N 0.43 0.65 -0.54 1.90 4.15 -1.02 -1.82 115.11 118.85 3gdt h GLN 135 Ca 0.12 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3gdt h GLN 135 Cb 0.27 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3gdt h GLN 135 CO -0.00 0.57 0.32 0.00 -1.93 0.00 0.00 178.83 177.79 3gdt h ALA 136 N 1.04 0.69 -0.35 3.38 0.00 -1.07 -1.41 119.26 121.54 3gdt h ALA 136 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3gdt h ALA 136 Cb 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gdt h ALA 136 CO -0.02 0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.60 3gdt h ALA 137 N 1.15 0.43 -0.42 0.00 0.00 -0.76 -1.26 119.26 118.40 3gdt h ALA 137 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3gdt h ALA 137 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gdt h ALA 137 CO -0.03 -0.20 0.02 0.93 0.00 0.00 0.00 179.25 179.97 3gdt h GLU 138 N 0.36 0.66 0.00 0.00 5.08 -1.03 -2.04 114.58 117.61 3gdt h GLU 138 Ca 0.15 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3gdt h GLU 138 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3gdt h GLU 138 CO -0.10 0.67 -0.47 0.93 -1.00 0.00 0.00 179.01 179.04 3gdt h GLU 139 N 0.63 0.00 0.16 2.33 5.08 -0.89 -3.34 114.58 118.55 3gdt h GLU 139 Ca 0.13 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.15 3gdt h GLU 139 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3gdt h GLU 139 CO 0.01 0.47 -1.76 0.28 -1.00 0.00 0.00 179.01 177.01 3gdt h VAL 140 N 0.00 0.91 -3.44 3.13 2.07 -0.93 -3.49 116.25 114.50 3gdt h VAL 140 Ca -0.00 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 64.92 3gdt h VAL 140 Cb 1.16 2.70 -0.13 0.00 -1.52 0.00 0.00 31.29 33.50 3gdt h VAL 140 CO 0.06 0.85 -0.10 0.28 0.02 0.00 0.00 177.57 178.67 3gdt s THR 141 N -2.58 0.08 -0.67 2.57 -1.32 -0.79 -4.97 115.64 107.95 3gdt s THR 141 Ca -0.15 -0.64 0.23 0.00 -1.21 0.00 0.00 61.69 59.92 3gdt s THR 141 Cb 0.06 -1.19 -0.05 0.00 -1.51 0.00 0.00 72.50 69.81 3gdt s THR 141 CO 0.84 -0.35 1.16 2.29 -2.21 0.00 0.00 174.62 176.34 3gdt n LYS 142 N -0.21 0.25 -2.18 7.08 2.85 -1.26 -4.47 118.16 120.23 3gdt n LYS 142 Ca -0.16 0.02 -0.36 0.00 -1.05 0.00 0.00 58.31 56.76 3gdt n LYS 142 Cb 0.64 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 3gdt n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3gdt s GLU 143 N -3.16 3.49 0.23 -1.58 0.41 -1.26 -4.94 118.70 111.88 3gdt s GLU 143 Ca 0.05 1.78 -0.32 0.00 -0.41 0.00 0.00 54.97 56.08 3gdt s GLU 143 Cb 0.14 -2.22 -0.13 0.00 -1.78 0.00 0.00 34.13 30.14 3gdt s GLU 143 CO 0.77 -0.78 1.56 -2.30 -0.49 0.00 0.00 175.26 174.02 3gdt n PRO 144 N -0.90 2.39 -4.23 0.39 -0.02 -1.26 -5.01 135.00 126.36 3gdt n PRO 144 Ca 0.10 0.85 -0.17 0.00 -2.02 0.00 0.00 63.50 62.26 3gdt n PRO 144 Cb 0.49 -2.61 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 3gdt n PRO 144 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gdt s ARG 145 N 0.23 0.64 0.09 -0.52 1.81 -1.26 -4.79 118.95 115.14 3gdt s ARG 145 Ca 0.71 -0.49 -0.05 0.00 -1.72 0.00 0.00 55.73 54.19 3gdt s ARG 145 Cb -0.59 -0.57 -0.02 0.00 -0.45 0.00 0.00 34.95 33.32 3gdt s ARG 145 CO 0.43 0.14 0.10 0.20 -0.68 0.00 0.00 175.30 175.49 3gdt s GLY 146 N -0.73 0.42 -0.03 -3.53 0.00 -0.58 -4.77 107.32 98.10 3gdt s GLY 146 Ca -0.01 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.75 3gdt s GLY 146 CO 0.00 -1.09 -0.13 -2.27 0.00 0.00 0.00 173.10 169.61 3gdt s LEU 147 N -2.93 1.90 -0.08 0.66 2.96 -0.08 -2.03 118.68 119.08 3gdt s LEU 147 Ca 0.10 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3gdt s LEU 147 Cb 0.06 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 3gdt s LEU 147 CO -0.07 0.13 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.30 3gdt s LEU 148 N -0.02 3.40 -0.04 -0.68 1.43 -0.13 -1.10 118.68 121.54 3gdt s LEU 148 Ca -0.01 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 3gdt s LEU 148 Cb -0.09 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3gdt s LEU 148 CO 0.01 0.36 0.29 -0.04 0.23 0.00 0.00 176.35 177.20 3gdt s MET 149 N -0.78 3.70 -1.20 1.70 -1.94 -0.43 -1.15 119.30 119.20 3gdt s MET 149 Ca 0.12 0.15 -0.17 0.00 -1.71 0.00 0.00 55.69 54.08 3gdt s MET 149 Cb -0.11 -3.18 0.11 0.00 2.01 0.00 0.00 34.83 33.66 3gdt s MET 149 CO 0.02 0.71 1.54 -0.51 -0.01 0.00 0.00 175.02 176.77 3gdt s LEU 150 N -1.18 4.37 0.14 -0.03 1.43 0.03 -1.39 118.68 122.04 3gdt s LEU 150 Ca 0.21 -2.52 -0.03 0.00 -1.03 0.00 0.00 54.13 50.77 3gdt s LEU 150 Cb -0.14 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 3gdt s LEU 150 CO 0.10 -1.03 1.33 0.00 0.23 0.00 0.00 176.35 176.98 3gdt h ALA 151 N 7.75 0.41 -3.06 4.21 0.00 -1.78 -3.42 119.26 123.38 3gdt h ALA 151 Ca 0.35 -0.70 -0.38 0.00 0.00 0.00 0.00 54.91 54.18 3gdt h ALA 151 Cb 0.90 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.27 3gdt h ALA 151 CO 1.34 0.83 -0.70 -1.21 0.00 0.00 0.00 179.25 179.51 3gdt s GLU 152 N -3.29 0.03 0.44 0.00 2.02 -1.04 -4.43 118.70 112.43 3gdt s GLU 152 Ca -0.05 0.24 -0.02 0.00 0.02 0.00 0.00 54.97 55.16 3gdt s GLU 152 Cb 0.09 -1.01 -0.02 0.00 0.10 0.00 0.00 34.13 33.29 3gdt s GLU 152 CO 0.86 -0.49 0.69 -0.51 0.02 0.00 0.00 175.26 175.83 3gdt s LEU 153 N 2.21 3.71 0.00 1.80 1.43 -1.26 -4.30 118.68 122.26 3gdt s LEU 153 Ca 0.04 0.56 0.12 0.00 -1.03 0.00 0.00 54.13 53.82 3gdt s LEU 153 Cb -0.14 -3.45 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 3gdt s LEU 153 CO -0.07 -0.58 0.55 -1.20 0.23 0.00 0.00 176.35 175.28 3gdt n SER 154 N -2.10 0.78 -4.77 2.29 7.64 -1.26 -4.96 113.62 111.23 3gdt n SER 154 Ca -0.00 -0.89 -0.35 0.00 1.01 0.00 0.00 58.87 58.63 3gdt n SER 154 Cb 0.56 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.61 3gdt n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gdt n LYS 156 N -1.18 2.73 -1.04 0.00 4.81 -1.26 -2.29 118.16 119.94 3gdt n LYS 156 Ca 0.11 0.98 -0.01 0.00 -0.87 0.00 0.00 58.31 58.52 3gdt n LYS 156 Cb 0.50 -2.79 -0.01 0.00 0.02 0.00 0.00 35.03 32.76 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 2.89 0.45 3.72 3.14 0.00 -1.26 -5.00 105.19 109.14 3gdt n GLY 157 Ca 0.12 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3gdt n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdt n SER 158 N -0.07 2.02 -1.25 1.61 3.41 -0.97 -4.93 113.62 113.46 3gdt n SER 158 Ca -0.01 0.82 0.10 0.00 -0.26 0.00 0.00 58.87 59.52 3gdt n SER 158 Cb 0.17 -1.55 0.30 0.00 -0.26 0.00 0.00 64.21 62.86 3gdt n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdt n LEU 159 N -1.90 3.93 -3.61 1.04 4.77 -1.26 -4.75 117.00 115.21 3gdt n LEU 159 Ca 0.16 -2.13 -0.41 0.00 -0.03 0.00 0.00 56.01 53.60 3gdt n LEU 159 Cb 0.48 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3gdt n LEU 159 CO 0.47 0.89 2.76 0.00 -1.33 0.00 0.00 177.39 180.18 3gdt n ALA 160 N 1.24 6.19 -2.22 -1.18 0.00 -1.26 -4.76 120.51 118.52 3gdt n ALA 160 Ca 0.22 -3.87 -0.13 0.00 0.00 0.00 0.00 53.44 49.67 3gdt n ALA 160 Cb 0.65 -3.35 -0.10 0.00 0.00 0.00 0.00 19.45 16.65 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 2.14 0.31 0.00 0.00 -4.23 -1.26 -4.49 115.64 108.11 3gdt s THR 161 Ca 0.53 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3gdt s THR 161 Cb 0.15 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3gdt s THR 161 CO -0.07 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 3gdt n GLY 162 N -0.26 2.79 0.28 3.99 0.00 -1.26 -1.26 105.19 109.46 3gdt n GLY 162 Ca -0.02 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.38 3gdt n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gdt h GLU 163 N 0.00 0.09 -0.16 1.61 4.57 -1.98 -2.06 114.58 116.65 3gdt h GLU 163 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3gdt h GLU 163 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3gdt h GLU 163 CO 0.00 0.06 0.03 -0.92 -1.18 0.00 0.00 179.01 177.00 3gdt h TYR 164 N 0.09 0.28 -0.64 0.92 3.20 -1.48 0.11 116.97 119.45 3gdt h TYR 164 Ca 0.05 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3gdt h TYR 164 Cb 0.08 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3gdt h TYR 164 CO -0.00 0.42 0.24 1.15 -1.64 0.00 0.00 178.16 178.33 3gdt h THR 165 N 0.05 1.24 -0.55 1.81 2.02 -1.51 -0.04 112.91 115.93 3gdt h THR 165 Ca 0.05 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3gdt h THR 165 Cb 0.29 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3gdt h THR 165 CO 0.00 0.30 0.35 0.50 0.37 0.00 0.00 175.52 177.04 3gdt h LYS 166 N 0.91 0.74 -0.17 6.66 3.64 -1.21 -1.34 116.57 125.79 3gdt h LYS 166 Ca 0.21 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3gdt h LYS 166 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3gdt h LYS 166 CO -0.01 0.51 -0.20 0.78 -2.27 0.00 0.00 179.45 178.26 3gdt h GLY 167 N 0.74 0.32 1.08 5.01 0.00 -0.37 -1.97 103.07 107.87 3gdt h GLY 167 Ca 0.20 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3gdt h GLY 167 CO -0.04 0.21 -0.20 -0.84 0.00 0.00 0.00 176.54 175.66 3gdt h THR 168 N 0.27 1.27 -0.63 4.70 2.02 -0.44 -1.73 112.91 118.37 3gdt h THR 168 Ca 0.05 -1.36 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 3gdt h THR 168 Cb 0.51 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3gdt h THR 168 CO 0.03 0.46 0.13 0.58 0.37 0.00 0.00 175.52 177.09 3gdt h VAL 169 N 0.78 1.25 -0.82 3.16 2.07 -0.93 -1.51 116.25 120.25 3gdt h VAL 169 Ca 0.10 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3gdt h VAL 169 Cb 0.78 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3gdt h VAL 169 CO 0.06 0.36 0.36 0.44 0.02 0.00 0.00 177.57 178.82 3gdt h ASP 170 N 0.96 1.10 -0.51 0.57 3.32 -1.15 -1.90 116.42 118.81 3gdt h ASP 170 Ca 0.20 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3gdt h ASP 170 Cb 0.38 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3gdt h ASP 170 CO 0.01 0.95 0.07 0.40 -1.72 0.00 0.00 179.24 178.94 3gdt h ILE 171 N 1.18 1.25 -0.75 0.35 2.04 -0.89 -2.42 117.51 118.27 3gdt h ILE 171 Ca 0.28 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3gdt h ILE 171 Cb 0.16 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3gdt h ILE 171 CO -0.03 0.36 0.50 0.00 0.00 0.00 0.00 178.15 178.97 3gdt h ALA 172 N 1.21 1.47 0.00 1.87 0.00 -0.53 -1.61 119.26 121.67 3gdt h ALA 172 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gdt h ALA 172 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gdt h ALA 172 CO 0.01 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.38 3gdt n LYS 173 N -4.42 0.16 0.24 0.00 5.02 -0.84 -2.23 118.16 116.09 3gdt n LYS 173 Ca 0.08 0.54 0.16 0.00 -2.02 0.00 0.00 58.31 57.08 3gdt n LYS 173 Cb 0.04 -1.91 0.62 0.00 -0.02 0.00 0.00 35.03 33.76 3gdt n LYS 173 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gdt h SER 174 N 0.00 0.00 -1.35 4.39 4.64 -1.31 -3.40 113.55 116.52 3gdt h SER 174 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3gdt h SER 174 Cb 0.15 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.01 3gdt h SER 174 CO 0.00 0.00 -0.52 -0.62 -0.87 0.00 0.00 176.83 174.82 3gdt s ASP 175 N -5.41 -0.55 0.17 4.97 -1.08 -0.95 -4.98 116.67 108.84 3gdt s ASP 175 Ca 0.02 -0.91 0.25 0.00 -0.52 0.00 0.00 52.55 51.39 3gdt s ASP 175 Cb 0.09 1.47 0.91 0.00 -1.46 0.00 0.00 42.92 43.93 3gdt s ASP 175 CO 0.52 -0.22 1.75 2.29 0.52 0.00 0.00 175.17 180.02 3gdt n LYS 176 N 4.53 0.17 0.08 4.34 2.85 -1.26 -1.01 118.16 127.87 3gdt n LYS 176 Ca 0.10 0.25 -0.10 0.00 -1.05 0.00 0.00 58.31 57.51 3gdt n LYS 176 Cb 0.52 -1.75 -0.07 0.00 -0.65 0.00 0.00 35.03 33.08 3gdt n LYS 176 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gdt h ASP 177 N 0.00 0.19 0.00 -5.58 3.32 -1.94 -3.39 116.42 109.02 3gdt h ASP 177 Ca 0.00 -0.18 -0.24 0.00 0.02 0.00 0.00 57.03 56.63 3gdt h ASP 177 Cb 0.53 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3gdt h ASP 177 CO 0.00 1.07 -1.89 0.33 -1.72 0.00 0.00 179.24 177.03 3gdt n PHE 178 N -3.52 0.00 -2.91 4.55 7.35 -1.17 -4.37 117.46 117.38 3gdt n PHE 178 Ca -0.03 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.23 3gdt n PHE 178 Cb 0.90 -0.62 -0.05 0.00 0.35 0.00 0.00 39.48 40.07 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 -2.31 4.54 -1.08 -2.13 1.01 -0.18 -0.90 120.40 119.34 3gdt s VAL 179 Ca -0.17 0.33 0.25 0.00 0.00 0.00 0.00 61.98 62.39 3gdt s VAL 179 Cb 0.05 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3gdt s VAL 179 CO 0.41 -0.91 1.42 2.30 0.00 0.00 0.00 175.10 178.32 3gdt n ILE 180 N 6.16 0.00 -1.87 2.22 -5.35 -0.26 -4.61 119.36 115.65 3gdt n ILE 180 Ca 0.02 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3gdt n ILE 180 Cb 0.48 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 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 1.48 -0.51 3.09 3.28 0.00 -1.24 -0.77 105.19 110.52 3gdt n GLY 181 Ca 0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.52 0.52 -0.36 1.61 0.08 0.10 -1.31 117.98 115.10 3gdt s PHE 182 Ca 0.00 -1.06 -0.15 0.00 0.12 0.00 0.00 56.93 55.84 3gdt s PHE 182 Cb 0.00 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 42.05 3gdt s PHE 182 CO 0.00 -0.37 0.33 0.42 -0.10 0.00 0.00 175.22 175.50 3gdt s ILE 183 N -3.88 5.20 0.29 0.64 -1.09 -0.49 -1.51 121.20 120.36 3gdt s ILE 183 Ca 0.07 -0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.19 3gdt s ILE 183 Cb 0.08 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 3gdt s ILE 183 CO -0.10 -0.14 0.62 0.00 -1.23 0.00 0.00 174.94 174.10 3gdt s ALA 184 N 1.92 -0.58 -1.64 9.38 0.00 -0.78 -2.30 121.76 127.77 3gdt s ALA 184 Ca 0.10 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 51.50 3gdt s ALA 184 Cb -0.17 0.93 0.03 0.00 0.00 0.00 0.00 23.12 23.91 3gdt s ALA 184 CO 0.11 -0.94 0.90 1.04 0.00 0.00 0.00 175.76 176.88 3gdt n GLN 185 N -0.46 1.59 -3.89 0.00 1.13 -1.26 -3.99 117.38 110.50 3gdt n GLN 185 Ca -0.03 -0.99 -0.09 0.00 -1.94 0.00 0.00 57.00 53.94 3gdt n GLN 185 Cb 0.60 -1.29 -0.05 0.00 0.11 0.00 0.00 30.24 29.62 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 -1.76 1.44 0.44 -1.09 1.70 -1.26 -4.95 118.95 113.46 3gdt s ARG 186 Ca 0.15 -1.09 -0.26 0.00 -0.47 0.00 0.00 55.73 54.06 3gdt s ARG 186 Cb 0.13 0.48 -0.09 0.00 -0.57 0.00 0.00 34.95 34.91 3gdt s ARG 186 CO 0.35 -0.60 1.42 0.34 -1.08 0.00 0.00 175.30 175.73 3gdt s ASP 187 N -2.95 5.99 -0.04 -2.89 2.15 -1.26 -4.92 116.67 112.75 3gdt s ASP 187 Ca 0.16 2.90 0.14 0.00 0.43 0.00 0.00 52.55 56.18 3gdt s ASP 187 Cb -0.00 -2.65 0.43 0.00 -0.30 0.00 0.00 42.92 40.39 3gdt s ASP 187 CO 0.03 -1.10 1.36 0.23 -0.17 0.00 0.00 175.17 175.53 3gdt n MET 188 N -0.07 2.97 0.00 4.34 2.81 -1.26 -5.09 117.12 120.82 3gdt n MET 188 Ca 0.04 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.58 3gdt n MET 188 Cb 0.42 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 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 0.56 1.38 1.14 3.03 0.00 -1.26 -4.95 105.19 105.08 3gdt n GLY 189 Ca 0.16 -0.67 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 3.23 0.37 -0.02 0.00 -1.26 -4.75 105.19 102.76 3gdt n GLY 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.80 1.23 0.00 1.61 3.08 -1.92 -0.55 114.38 119.62 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 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.77 3gdt h ARG 191 CO 0.00 0.81 0.00 -0.44 -1.07 0.00 0.00 179.97 179.27 3gdt h ASP 192 N 1.26 0.00 -0.16 7.04 3.45 -1.92 -2.62 116.42 123.48 3gdt h ASP 192 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3gdt h ASP 192 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3gdt h ASP 192 CO -0.13 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 176.92 3gdt n GLU 193 N -3.01 2.31 -0.43 3.56 4.71 -0.52 -4.95 120.64 122.30 3gdt n GLU 193 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 57.16 55.22 3gdt n GLU 193 Cb 0.27 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 3gdt n GLU 193 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gdt n GLY 194 N 1.38 0.77 3.79 0.62 0.00 -0.97 -5.07 105.19 105.70 3gdt n GLY 194 Ca 0.16 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.34 -0.51 1.61 2.02 -0.33 -5.00 117.35 116.48 3gdt s TYR 195 Ca 0.00 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.02 3gdt s TYR 195 Cb 0.00 -1.80 0.15 0.00 -0.40 0.00 0.00 41.96 39.90 3gdt s TYR 195 CO 0.00 0.58 0.31 0.34 -1.57 0.00 0.00 175.55 175.21 3gdt s ASP 196 N -1.38 3.79 -0.03 2.29 2.15 -1.26 -3.27 116.67 118.96 3gdt s ASP 196 Ca 0.19 -3.03 -0.19 0.00 0.43 0.00 0.00 52.55 49.95 3gdt s ASP 196 Cb -0.12 -1.22 -0.05 0.00 -0.30 0.00 0.00 42.92 41.23 3gdt s ASP 196 CO 0.09 -0.21 0.54 0.26 -0.17 0.00 0.00 175.17 175.68 3gdt s TRP 197 N -0.21 3.66 0.05 -5.34 0.51 -1.26 -4.87 118.94 111.47 3gdt s TRP 197 Ca 0.21 1.10 -0.30 0.00 -2.12 0.00 0.00 56.10 54.98 3gdt s TRP 197 Cb -0.17 -2.54 -0.05 0.00 -0.81 0.00 0.00 33.47 29.90 3gdt s TRP 197 CO -0.06 0.37 1.12 -0.51 -0.51 0.00 0.00 176.95 177.36 3gdt s LEU 198 N -0.19 4.38 -0.32 2.99 1.43 0.05 -4.91 118.68 122.11 3gdt s LEU 198 Ca 0.29 1.90 -0.04 0.00 -1.03 0.00 0.00 54.13 55.24 3gdt s LEU 198 Cb -0.17 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.51 3gdt s LEU 198 CO 0.15 -0.38 0.05 -0.63 0.23 0.00 0.00 176.35 175.77 3gdt s ILE 199 N 0.94 3.42 -0.19 -0.59 -1.09 -1.26 -0.72 121.20 121.70 3gdt s ILE 199 Ca 0.56 -1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 57.70 3gdt s ILE 199 Cb -0.27 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 3gdt s ILE 199 CO 0.29 -0.13 0.00 -0.04 -1.23 0.00 0.00 174.94 173.84 3gdt s MET 200 N 1.34 3.66 -0.18 2.79 -1.94 -0.57 -0.32 119.30 124.08 3gdt s MET 200 Ca -0.03 -0.50 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3gdt s MET 200 Cb -0.19 -3.08 0.02 0.00 2.01 0.00 0.00 34.83 33.59 3gdt s MET 200 CO 0.01 0.06 -0.18 0.99 -0.01 0.00 0.00 175.02 175.89 3gdt s THR 201 N 0.87 1.99 0.69 2.05 2.01 -0.14 -1.87 115.64 121.24 3gdt s THR 201 Ca 0.01 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 3gdt s THR 201 Cb -0.14 -1.83 0.09 0.00 0.01 0.00 0.00 72.50 70.63 3gdt s THR 201 CO 0.02 0.49 0.96 -2.16 -0.69 0.00 0.00 174.62 173.24 3gdt s PRO 202 N 1.31 1.98 -0.60 4.92 0.04 -1.26 -0.64 135.00 140.75 3gdt s PRO 202 Ca 0.04 -0.75 -0.03 0.00 0.04 0.00 0.00 61.00 60.30 3gdt s PRO 202 Cb -0.13 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3gdt s PRO 202 CO -0.12 -1.26 0.52 0.41 0.04 0.00 0.00 177.00 176.59 3gdt n GLY 203 N -2.78 0.21 3.67 0.56 0.00 -1.22 -4.89 105.19 100.74 3gdt n GLY 203 Ca 0.11 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.15 4.32 0.00 1.61 1.01 -1.26 -3.12 120.40 119.81 3gdt s VAL 204 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3gdt s VAL 204 Cb -0.08 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.47 3gdt s VAL 204 CO 0.33 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.64 3gdt n GLY 205 N 2.26 -0.02 0.00 4.51 0.00 -1.26 -4.85 105.19 105.83 3gdt n GLY 205 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gdt n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdt n ARG 218 N -2.42 0.00 -2.00 1.61 1.74 -1.18 -4.67 116.66 109.73 3gdt n ARG 218 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3gdt n ARG 218 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 3gdt n ARG 218 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gdt s THR 219 N 0.00 4.26 0.10 0.55 -4.23 -1.26 -4.91 115.64 110.15 3gdt s THR 219 Ca 0.00 0.61 -0.23 0.00 -1.18 0.00 0.00 61.69 60.89 3gdt s THR 219 Cb 0.00 -3.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.02 3gdt s THR 219 CO 0.00 -0.90 1.72 0.58 -0.54 0.00 0.00 174.62 175.48 3gdt h VAL 220 N -0.36 0.87 -0.95 2.29 2.07 -1.93 -1.90 116.25 116.34 3gdt h VAL 220 Ca -0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3gdt h VAL 220 Cb 1.22 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3gdt h VAL 220 CO 0.62 0.00 0.61 -0.78 0.02 0.00 0.00 177.57 178.04 3gdt h ASP 221 N -0.07 0.97 0.86 0.57 -0.00 -1.94 -1.41 116.42 115.41 3gdt h ASP 221 Ca 0.03 0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.03 3gdt h ASP 221 Cb 0.11 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.24 3gdt h ASP 221 CO -0.07 0.63 -0.50 -0.78 -0.00 0.00 0.00 179.24 178.52 3gdt h ASP 222 N 1.11 -1.24 -0.64 2.28 3.58 -1.81 -0.83 116.42 118.87 3gdt h ASP 222 Ca 0.41 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.88 3gdt h ASP 222 Cb 0.15 0.35 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 3gdt h ASP 222 CO -0.17 -0.78 0.25 -0.37 -2.88 0.00 0.00 179.24 175.29 3gdt h VAL 223 N -1.26 1.24 -0.38 2.25 -1.51 -1.20 -3.00 116.25 112.39 3gdt h VAL 223 Ca -0.12 -0.75 -0.13 0.00 -1.23 0.00 0.00 66.70 64.47 3gdt h VAL 223 Cb 1.00 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 3gdt h VAL 223 CO 0.14 0.29 -0.28 0.58 -1.23 0.00 0.00 177.57 177.07 3gdt h VAL 224 N 0.90 1.28 0.00 7.19 2.07 -1.28 -1.31 116.25 125.11 3gdt h VAL 224 Ca 0.21 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3gdt h VAL 224 Cb 0.21 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3gdt h VAL 224 CO -0.02 0.48 -0.05 0.77 0.02 0.00 0.00 177.57 178.77 3gdt h SER 225 N 0.66 0.00 -0.70 0.57 4.64 -1.12 -2.55 113.55 115.04 3gdt h SER 225 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gdt h SER 225 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3gdt h SER 225 CO 0.07 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.43 3gdt n THR 226 N -3.34 0.93 0.00 2.95 -2.24 -1.13 -4.95 114.28 106.49 3gdt n THR 226 Ca -0.02 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3gdt n THR 226 Cb 0.20 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 3gdt n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdt n GLY 227 N 1.66 1.46 3.73 3.38 0.00 -0.96 -4.04 105.19 110.42 3gdt n GLY 227 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.81 6.87 -0.08 1.61 0.01 -0.51 -4.71 113.70 115.08 3gdt s SER 228 Ca 0.00 2.39 0.07 0.00 1.31 0.00 0.00 55.95 59.72 3gdt s SER 228 Cb 0.00 -2.60 -0.24 0.00 0.21 0.00 0.00 66.02 63.39 3gdt s SER 228 CO 0.00 -0.57 0.51 0.47 0.41 0.00 0.00 173.24 174.06 3gdt n ASP 229 N 2.96 1.21 -3.97 2.44 8.00 0.56 -4.48 116.55 123.27 3gdt n ASP 229 Ca 0.08 0.31 -0.18 0.00 0.71 0.00 0.00 54.79 55.70 3gdt n ASP 229 Cb 0.43 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.58 0.58 -0.21 0.53 1.01 -0.72 -4.81 121.20 115.01 3gdt s ILE 230 Ca -0.11 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 3gdt s ILE 230 Cb 0.07 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 3gdt s ILE 230 CO 0.80 0.19 0.11 0.27 0.00 0.00 0.00 174.94 176.31 3gdt s ILE 231 N 0.13 5.11 -0.37 2.92 -4.36 -0.48 -0.96 121.20 123.18 3gdt s ILE 231 Ca -0.01 0.09 -0.12 0.00 -0.26 0.00 0.00 60.65 60.34 3gdt s ILE 231 Cb -0.06 -3.35 0.01 0.00 1.25 0.00 0.00 42.46 40.32 3gdt s ILE 231 CO -0.00 0.41 0.23 -0.63 0.24 0.00 0.00 174.94 175.18 3gdt s ILE 232 N 0.70 4.87 -0.09 8.37 1.01 0.19 -0.75 121.20 135.51 3gdt s ILE 232 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3gdt s ILE 232 Cb -0.13 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3gdt s ILE 232 CO 0.01 -0.18 -0.13 -0.69 0.00 0.00 0.00 174.94 173.96 3gdt s VAL 233 N 1.62 3.15 0.00 2.92 1.01 -0.43 -3.40 120.40 125.26 3gdt s VAL 233 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3gdt s VAL 233 Cb -0.19 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3gdt s VAL 233 CO 0.08 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3gdt n GLY 234 N 2.90 0.72 0.26 4.51 0.00 -1.26 -0.63 105.19 111.68 3gdt n GLY 234 Ca -0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 -0.88 114.38 116.20 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 -1.21 -0.76 0.05 0.04 0.00 -1.26 -0.67 105.19 101.39 3gdt n GLY 236 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.44 0.14 0.00 0.99 4.77 -0.33 -4.81 117.00 116.31 3gdt n LEU 237 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3gdt n LEU 237 Cb 0.10 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3gdt n LEU 237 CO 0.08 0.18 0.00 2.22 -1.33 0.00 0.00 177.39 178.54 3gdt n PHE 238 N -2.52 0.00 -1.65 -1.77 1.16 -0.87 -3.47 117.46 108.35 3gdt n PHE 238 Ca -0.14 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.15 3gdt n PHE 238 Cb 0.80 0.00 0.13 0.00 -1.61 0.00 0.00 39.48 38.80 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 2.02 -1.44 1.98 0.00 0.16 -3.85 121.76 120.62 3gdt s ALA 239 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 3gdt s ALA 239 Cb 0.00 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.17 3gdt s ALA 239 CO 0.00 -2.15 0.70 1.63 0.00 0.00 0.00 175.76 175.94 3gdt n LYS 240 N -3.66 -4.71 -0.99 0.00 4.76 -1.26 -1.85 118.16 110.46 3gdt n LYS 240 Ca 0.07 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 3gdt n LYS 240 Cb 0.60 -5.49 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 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 -1.47 0.47 3.75 0.72 0.00 -1.26 -5.01 105.19 102.39 3gdt n GLY 241 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.32 2.63 -0.46 1.61 0.52 -0.77 -4.98 118.95 117.19 3gdt s ARG 242 Ca 0.00 1.63 -0.19 0.00 -0.52 0.00 0.00 55.73 56.65 3gdt s ARG 242 Cb 0.00 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.60 3gdt s ARG 242 CO 0.00 -1.43 0.57 0.34 0.02 0.00 0.00 175.30 174.80 3gdt s ASP 243 N -2.12 6.24 0.39 0.23 3.68 -1.26 -4.75 116.67 119.07 3gdt s ASP 243 Ca 0.72 -0.70 0.11 0.00 2.13 0.00 0.00 52.55 54.82 3gdt s ASP 243 Cb -0.26 -2.28 0.91 0.00 -1.45 0.00 0.00 42.92 39.84 3gdt s ASP 243 CO 0.40 -0.76 1.90 0.00 0.13 0.00 0.00 175.17 176.84 3gdt h ALA 244 N 8.88 1.93 -0.48 3.66 0.00 -1.89 -0.04 119.26 131.32 3gdt h ALA 244 Ca -0.27 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3gdt h ALA 244 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3gdt h ALA 244 CO 0.89 -0.14 -0.11 -0.22 0.00 0.00 0.00 179.25 179.67 3gdt h LYS 245 N 0.58 0.92 -0.12 0.00 3.64 -1.86 0.02 116.57 119.75 3gdt h LYS 245 Ca 0.39 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3gdt h LYS 245 Cb 0.71 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3gdt h LYS 245 CO -0.15 1.01 -0.03 0.28 -2.27 0.00 0.00 179.45 178.29 3gdt h VAL 246 N 0.77 1.29 -0.37 2.00 2.07 -1.62 -2.92 116.25 117.47 3gdt h VAL 246 Ca 0.12 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 3gdt h VAL 246 Cb 0.67 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3gdt h VAL 246 CO 0.05 0.27 -0.07 -0.33 0.02 0.00 0.00 177.57 177.51 3gdt h GLU 247 N -0.09 0.62 -0.86 1.57 4.39 -1.02 -1.73 114.58 117.46 3gdt h GLU 247 Ca 0.03 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.57 3gdt h GLU 247 Cb 0.44 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 3gdt h GLU 247 CO 0.01 0.69 0.56 0.78 -1.16 0.00 0.00 179.01 179.89 3gdt h GLY 248 N 0.93 1.22 1.11 -3.84 0.00 -0.96 -0.85 103.07 100.68 3gdt h GLY 248 Ca 0.11 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 3gdt h GLY 248 CO 0.02 0.46 -0.47 -2.09 0.00 0.00 0.00 176.54 174.46 3gdt h GLU 249 N 1.17 0.86 -0.15 4.80 4.57 -1.29 -0.77 114.58 123.77 3gdt h GLU 249 Ca 0.31 -0.52 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 3gdt h GLU 249 Cb -0.12 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3gdt h GLU 249 CO -0.07 1.15 0.05 -0.09 -1.18 0.00 0.00 179.01 178.88 3gdt h ARG 250 N 0.64 0.13 -0.17 1.92 2.43 -0.93 0.17 114.38 118.57 3gdt h ARG 250 Ca 0.03 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 3gdt h ARG 250 Cb 1.08 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3gdt h ARG 250 CO 0.11 0.08 -0.62 1.88 -1.51 0.00 0.00 179.97 179.92 3gdt h TYR 251 N 0.13 0.74 -0.27 2.20 -1.99 -1.18 -2.06 116.97 114.53 3gdt h TYR 251 Ca 0.06 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3gdt h TYR 251 Cb 0.03 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 3gdt h TYR 251 CO -0.10 1.04 0.15 -0.09 -0.00 0.00 0.00 178.16 179.15 3gdt h ARG 252 N 0.43 0.37 -0.39 4.88 2.43 -0.93 0.35 114.38 121.52 3gdt h ARG 252 Ca -0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3gdt h ARG 252 Cb 1.18 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3gdt h ARG 252 CO 0.12 0.33 0.23 -0.22 -1.51 0.00 0.00 179.97 178.92 3gdt h LYS 253 N 0.32 0.53 -0.21 0.20 3.64 -0.93 0.26 116.57 120.37 3gdt h LYS 253 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3gdt h LYS 253 Cb 0.07 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3gdt h LYS 253 CO -0.02 0.40 0.13 0.00 -2.27 0.00 0.00 179.45 177.69 3gdt h ALA 254 N 1.10 0.27 -0.56 5.00 0.00 -1.17 -0.85 119.26 123.05 3gdt h ALA 254 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3gdt h ALA 254 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gdt h ALA 254 CO -0.03 -0.23 0.09 0.78 0.00 0.00 0.00 179.25 179.86 3gdt h GLY 255 N 0.27 1.01 0.93 0.00 0.00 -0.74 -2.13 103.07 102.40 3gdt h GLY 255 Ca 0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 3gdt h GLY 255 CO -0.01 0.62 -0.14 -0.25 0.00 0.00 0.00 176.54 176.76 3gdt h TRP 256 N 0.83 0.76 -0.78 5.60 2.91 -0.83 -1.92 115.95 122.51 3gdt h TRP 256 Ca 0.17 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 3gdt h TRP 256 Cb 0.42 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 3gdt h TRP 256 CO 0.03 0.87 0.39 0.93 -1.03 0.00 0.00 178.44 179.64 3gdt h GLU 257 N 0.43 1.11 -0.63 2.65 5.08 -1.13 -0.27 114.58 121.82 3gdt h GLU 257 Ca 0.07 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3gdt h GLU 257 Cb 0.67 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3gdt h GLU 257 CO 0.04 0.84 0.08 0.00 -1.00 0.00 0.00 179.01 178.97 3gdt h ALA 258 N 1.33 0.95 -0.21 3.43 0.00 -1.27 -2.11 119.26 121.37 3gdt h ALA 258 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gdt h ALA 258 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gdt h ALA 258 CO -0.04 0.65 0.10 -0.92 0.00 0.00 0.00 179.25 179.04 3gdt h TYR 259 N 0.98 0.31 -0.19 0.00 3.20 -0.65 -2.34 116.97 118.28 3gdt h TYR 259 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3gdt h TYR 259 Cb 0.45 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3gdt h TYR 259 CO 0.03 0.33 0.12 -0.07 -1.64 0.00 0.00 178.16 176.94 3gdt h LEU 260 N 0.20 0.21 -0.48 2.82 3.38 -0.81 -2.03 115.31 118.61 3gdt h LEU 260 Ca 0.07 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3gdt h LEU 260 Cb 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gdt h LEU 260 CO -0.01 0.15 -0.58 0.03 0.09 0.00 0.00 178.44 178.12 3gdt h ARG 261 N 0.25 0.00 -7.00 1.13 3.08 -1.06 -3.46 114.38 107.33 3gdt h ARG 261 Ca 0.07 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.58 3gdt h ARG 261 Cb -0.03 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.14 3gdt h ARG 261 CO -0.01 0.58 0.68 0.50 -1.07 0.00 0.00 179.97 180.65 3gdt s ARG 262 N -3.27 3.62 -0.08 0.04 3.52 -0.76 -4.94 118.95 117.08 3gdt s ARG 262 Ca 0.01 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 57.69 3gdt s ARG 262 Cb 0.10 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 3gdt s ARG 262 CO 0.74 -0.86 1.21 0.00 -0.81 0.00 0.00 175.30 175.59 3gdt s GLY 264 N 1.58 1.59 -0.35 0.00 0.00 -1.26 -4.22 107.32 104.65 3gdt s GLY 264 Ca 0.55 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 3gdt s GLY 264 CO 0.20 -0.88 1.28 1.62 0.00 0.00 0.00 173.10 175.32 3gdt s GLN 265 N -4.59 3.82 0.00 2.90 2.00 0.14 -4.81 119.66 119.12 3gdt s GLN 265 Ca 0.49 1.05 0.25 0.00 -2.00 0.00 0.00 55.36 55.16 3gdt s GLN 265 Cb -0.10 -3.90 0.47 0.00 0.80 0.00 0.00 33.01 30.28 3gdt s GLN 265 CO 0.38 -1.24 1.42 1.04 -0.50 0.00 0.00 175.29 176.39