#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdr s ALA 4 N 0.00 2.29 0.90 7.82 0.00 -1.26 -0.31 121.76 131.20 3gdr s ALA 4 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 3gdr s ALA 4 Cb 0.00 -3.11 0.13 0.00 0.00 0.00 0.00 23.12 20.14 3gdr s ALA 4 CO 0.00 -1.68 1.10 0.95 0.00 0.00 0.00 175.76 176.13 3gdr s THR 5 N -3.15 2.46 0.21 0.00 -4.23 -1.26 -4.79 115.64 104.89 3gdr s THR 5 Ca 0.60 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 3gdr s THR 5 Cb -0.14 -2.76 0.16 0.00 1.34 0.00 0.00 72.50 71.10 3gdr s THR 5 CO 0.54 -0.20 1.83 1.88 -0.54 0.00 0.00 174.62 178.14 3gdr h TYR 6 N -1.52 1.07 -0.70 3.99 0.05 -1.96 -0.81 116.97 117.09 3gdr h TYR 6 Ca -0.50 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.27 3gdr h TYR 6 Cb 1.30 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 38.66 3gdr h TYR 6 CO 0.37 0.75 0.45 -0.22 -1.05 0.00 0.00 178.16 178.46 3gdr h LYS 7 N 1.08 0.86 -0.36 4.88 3.64 -1.92 -0.82 116.57 123.93 3gdr h LYS 7 Ca 0.27 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.46 3gdr h LYS 7 Cb 0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3gdr h LYS 7 CO -0.04 0.57 -0.36 0.93 -2.27 0.00 0.00 179.45 178.27 3gdr h GLU 8 N 0.88 0.83 -0.06 1.90 5.08 -1.80 -2.97 114.58 118.45 3gdr h GLU 8 Ca 0.28 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3gdr h GLU 8 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3gdr h GLU 8 CO -0.10 1.05 -0.41 0.00 -1.00 0.00 0.00 179.01 178.56 3gdr h ARG 9 N 0.69 0.13 -0.09 2.33 3.08 -0.83 -2.42 114.38 117.28 3gdr h ARG 9 Ca 0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3gdr h ARG 9 Cb 0.92 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3gdr h ARG 9 CO 0.08 0.53 -0.19 0.00 -1.07 0.00 0.00 179.97 179.32 3gdr h ALA 10 N 1.47 1.52 0.00 0.04 0.00 -1.00 0.14 119.26 121.43 3gdr h ALA 10 Ca 0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3gdr h ALA 10 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3gdr h ALA 10 CO 0.06 0.35 -0.41 0.00 0.00 0.00 0.00 179.25 179.25 3gdr h ALA 11 N 1.67 0.75 0.00 0.00 0.00 -1.32 -3.38 119.26 116.99 3gdr h ALA 11 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gdr h ALA 11 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gdr h ALA 11 CO 0.03 0.46 -1.21 0.25 0.00 0.00 0.00 179.25 178.78 3gdr n THR 12 N -3.17 0.00 -1.74 0.00 -2.24 -1.08 -5.03 114.28 101.01 3gdr n THR 12 Ca 0.02 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 3gdr n THR 12 Cb 0.68 0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 3gdr n THR 12 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3gdr n HIS 13 N -1.70 2.83 0.28 4.78 -0.00 0.02 -4.90 115.22 116.53 3gdr n HIS 13 Ca -0.01 0.27 0.17 0.00 0.46 0.00 0.00 57.72 58.61 3gdr n HIS 13 Cb 0.23 -2.59 0.63 0.00 -0.12 0.00 0.00 29.99 28.14 3gdr n HIS 13 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3gdr h PRO 14 N 4.66 0.00 -5.12 1.57 0.13 -1.90 -3.43 132.00 127.90 3gdr h PRO 14 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 3gdr h PRO 14 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 3gdr h PRO 14 CO 0.78 0.00 -0.40 0.45 -0.23 0.00 0.00 178.00 178.60 3gdr s SER 15 N -5.64 6.18 0.37 1.44 0.15 -1.26 -4.83 113.70 110.11 3gdr s SER 15 Ca 0.02 0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.90 3gdr s SER 15 Cb 0.09 -2.15 0.71 0.00 -1.71 0.00 0.00 66.02 62.96 3gdr s SER 15 CO 0.54 -0.03 2.00 -0.65 1.20 0.00 0.00 173.24 176.31 3gdr h PRO 16 N 7.79 0.75 -0.37 5.44 0.11 -1.84 -1.12 132.00 142.76 3gdr h PRO 16 Ca -0.36 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 3gdr h PRO 16 Cb 1.17 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3gdr h PRO 16 CO 0.64 0.49 -0.33 0.28 -0.21 0.00 0.00 178.00 178.87 3gdr h VAL 17 N 0.77 1.28 -0.34 3.15 2.07 -1.88 -1.08 116.25 120.22 3gdr h VAL 17 Ca 0.24 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 3gdr h VAL 17 Cb 0.03 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3gdr h VAL 17 CO -0.06 0.49 -0.04 0.00 0.02 0.00 0.00 177.57 177.98 3gdr h ALA 18 N 0.93 0.47 -0.94 1.67 0.00 -1.83 -0.61 119.26 118.96 3gdr h ALA 18 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gdr h ALA 18 Cb 0.88 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3gdr h ALA 18 CO 0.08 0.27 0.56 0.00 0.00 0.00 0.00 179.25 180.15 3gdr h ALA 19 N 0.84 1.22 -0.60 0.00 0.00 -1.12 0.10 119.26 119.70 3gdr h ALA 19 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3gdr h ALA 19 Cb 0.51 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3gdr h ALA 19 CO 0.02 0.66 0.08 -0.22 0.00 0.00 0.00 179.25 179.80 3gdr h LYS 20 N 1.29 1.00 -0.16 0.00 3.64 -0.93 -1.44 116.57 119.96 3gdr h LYS 20 Ca 0.33 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3gdr h LYS 20 Cb -0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3gdr h LYS 20 CO -0.06 0.95 0.02 1.25 -2.27 0.00 0.00 179.45 179.34 3gdr h LEU 21 N 0.90 0.27 -1.39 5.20 5.85 -0.45 -2.15 115.31 123.55 3gdr h LEU 21 Ca 0.18 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3gdr h LEU 21 Cb 0.45 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3gdr h LEU 21 CO 0.01 0.48 0.46 -0.26 -0.34 0.00 0.00 178.44 178.80 3gdr h PHE 22 N 0.05 0.76 -0.39 1.25 0.04 -0.69 -1.13 116.94 116.82 3gdr h PHE 22 Ca 0.05 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 3gdr h PHE 22 Cb 0.33 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3gdr h PHE 22 CO 0.02 0.41 -0.38 -0.91 -0.60 0.00 0.00 178.31 176.86 3gdr h ASN 23 N 0.76 1.00 -0.44 2.17 4.21 -1.04 -1.75 115.58 120.50 3gdr h ASN 23 Ca 0.30 -0.46 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 3gdr h ASN 23 Cb 0.21 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3gdr h ASN 23 CO -0.09 1.26 0.26 0.40 -1.29 0.00 0.00 177.43 177.97 3gdr h ILE 24 N 0.76 1.14 -0.39 2.81 2.04 -0.76 -0.10 117.51 123.02 3gdr h ILE 24 Ca 0.06 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3gdr h ILE 24 Cb 0.97 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3gdr h ILE 24 CO 0.09 0.14 0.24 0.24 0.00 0.00 0.00 178.15 178.87 3gdr h MET 25 N 0.58 0.48 -0.04 2.37 2.86 -1.11 -0.33 114.93 119.74 3gdr h MET 25 Ca 0.16 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3gdr h MET 25 Cb -0.01 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 3gdr h MET 25 CO -0.03 0.32 0.02 1.25 1.06 0.00 0.00 176.91 179.53 3gdr h HIS 26 N 0.50 0.05 -0.56 -0.22 -0.00 -1.02 -1.04 115.15 112.86 3gdr h HIS 26 Ca 0.15 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 3gdr h HIS 26 Cb -0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 3gdr h HIS 26 CO -0.06 0.16 0.01 0.93 -0.00 0.00 0.00 177.93 178.97 3gdr h GLU 27 N -0.08 0.97 -0.11 5.26 5.08 -0.84 -3.10 114.58 121.76 3gdr h GLU 27 Ca 0.01 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3gdr h GLU 27 Cb 0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gdr h GLU 27 CO -0.00 0.95 0.00 1.63 -1.00 0.00 0.00 179.01 180.59 3gdr n LYS 28 N -4.19 2.04 -3.74 2.33 5.02 -0.15 -4.97 118.16 114.49 3gdr n LYS 28 Ca 0.03 -1.53 -0.29 0.00 -2.02 0.00 0.00 58.31 54.50 3gdr n LYS 28 Cb 0.33 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3gdr n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdr n GLN 29 N 0.81 -2.02 -3.72 1.97 6.02 -0.43 -4.98 117.38 115.03 3gdr n GLN 29 Ca 0.17 0.46 -0.13 0.00 -0.01 0.00 0.00 57.00 57.48 3gdr n GLN 29 Cb 0.47 -4.30 -0.09 0.00 1.02 0.00 0.00 30.24 27.33 3gdr n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdr s THR 30 N -3.60 0.01 -0.10 5.09 -1.32 -0.96 -4.80 115.64 109.96 3gdr s THR 30 Ca 0.33 -0.04 0.14 0.00 -1.21 0.00 0.00 61.69 60.90 3gdr s THR 30 Cb -0.12 -0.64 0.29 0.00 -1.51 0.00 0.00 72.50 70.52 3gdr s THR 30 CO 0.86 -0.02 1.14 -0.46 -2.21 0.00 0.00 174.62 173.93 3gdr n ASN 31 N 2.62 1.40 -4.70 8.08 0.23 -1.26 -4.34 115.26 117.28 3gdr n ASN 31 Ca -0.14 -2.87 -0.39 0.00 -0.53 0.00 0.00 54.58 50.66 3gdr n ASN 31 Cb 0.57 -0.38 -0.06 0.00 -2.08 0.00 0.00 39.78 37.83 3gdr n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdr s LEU 32 N -1.79 4.24 -0.16 -4.53 2.96 -1.26 -1.32 118.68 116.82 3gdr s LEU 32 Ca 0.27 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.02 3gdr s LEU 32 Cb 0.27 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 3gdr s LEU 32 CO -0.04 -0.08 -0.12 0.00 -1.32 0.00 0.00 176.35 174.79 3gdr s ALA 34 N 0.82 3.57 -0.49 0.00 0.00 -0.62 -1.55 121.76 123.50 3gdr s ALA 34 Ca -0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 3gdr s ALA 34 Cb -0.15 -2.58 0.09 0.00 0.00 0.00 0.00 23.12 20.48 3gdr s ALA 34 CO 0.00 -0.46 0.42 0.45 0.00 0.00 0.00 175.76 176.17 3gdr s SER 35 N 1.39 6.14 -0.51 0.00 0.15 -0.11 -0.72 113.70 120.04 3gdr s SER 35 Ca 0.13 -1.49 -0.08 0.00 0.70 0.00 0.00 55.95 55.21 3gdr s SER 35 Cb -0.15 -2.18 0.13 0.00 -1.71 0.00 0.00 66.02 62.11 3gdr s SER 35 CO 0.08 -0.71 0.38 -0.76 1.20 0.00 0.00 173.24 173.43 3gdr s LEU 36 N 1.62 5.70 -1.04 3.45 1.43 -0.91 -4.31 118.68 124.62 3gdr s LEU 36 Ca 0.04 -2.07 -0.04 0.00 -1.03 0.00 0.00 54.13 51.02 3gdr s LEU 36 Cb -0.26 -2.00 0.29 0.00 0.03 0.00 0.00 46.19 44.26 3gdr s LEU 36 CO 0.05 -0.64 1.31 -0.90 0.23 0.00 0.00 176.35 176.40 3gdr n ASP 37 N 4.68 5.92 -4.93 2.29 5.75 -1.26 -4.19 116.55 124.80 3gdr n ASP 37 Ca -0.04 -3.33 -0.20 0.00 -0.01 0.00 0.00 54.79 51.21 3gdr n ASP 37 Cb 0.41 -1.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.25 3gdr n ASP 37 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3gdr s VAL 38 N -2.39 3.74 0.07 2.12 -7.23 -1.26 -5.06 120.40 110.39 3gdr s VAL 38 Ca 0.32 -1.15 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 3gdr s VAL 38 Cb 0.02 -3.28 -0.22 0.00 0.56 0.00 0.00 36.38 33.45 3gdr s VAL 38 CO 0.05 -0.15 1.09 -0.09 -0.31 0.00 0.00 175.10 175.69 3gdr h ARG 39 N 1.02 0.03 -6.72 4.82 2.43 -1.96 -3.39 114.38 110.61 3gdr h ARG 39 Ca -0.45 -0.05 -0.67 0.00 -0.81 0.00 0.00 59.98 58.00 3gdr h ARG 39 Cb 1.26 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 30.63 3gdr h ARG 39 CO 0.55 0.89 -0.84 0.95 -1.51 0.00 0.00 179.97 180.01 3gdr s THR 40 N -2.67 2.31 0.33 0.20 -4.23 -1.26 -0.60 115.64 109.72 3gdr s THR 40 Ca -0.01 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3gdr s THR 40 Cb 0.09 -2.08 0.22 0.00 1.34 0.00 0.00 72.50 72.07 3gdr s THR 40 CO 0.83 -0.04 1.94 0.74 -0.54 0.00 0.00 174.62 177.55 3gdr h THR 41 N 3.46 1.18 -0.26 3.99 2.02 -1.92 -2.19 112.91 119.20 3gdr h THR 41 Ca -0.48 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.21 3gdr h THR 41 Cb 1.19 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3gdr h THR 41 CO 0.45 0.21 0.13 0.50 0.37 0.00 0.00 175.52 177.18 3gdr h LYS 42 N 0.78 0.27 -0.58 6.66 3.64 -1.95 0.13 116.57 125.52 3gdr h LYS 42 Ca 0.20 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3gdr h LYS 42 Cb 0.07 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3gdr h LYS 42 CO -0.03 0.18 0.14 0.93 -2.27 0.00 0.00 179.45 178.40 3gdr h GLU 43 N 0.27 0.94 0.25 1.90 5.08 -1.92 -1.77 114.58 119.33 3gdr h GLU 43 Ca 0.11 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3gdr h GLU 43 Cb 0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3gdr h GLU 43 CO -0.07 0.86 -0.13 1.25 -1.00 0.00 0.00 179.01 179.92 3gdr h LEU 44 N 0.84 -0.32 -1.03 1.33 5.85 -0.89 -1.27 115.31 119.82 3gdr h LEU 44 Ca 0.18 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3gdr h LEU 44 Cb 0.35 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3gdr h LEU 44 CO 0.00 -0.22 0.49 -0.07 -0.34 0.00 0.00 178.44 178.31 3gdr h LEU 45 N -0.35 1.04 -0.07 2.25 3.38 -0.70 -0.32 115.31 120.54 3gdr h LEU 45 Ca -0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3gdr h LEU 45 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3gdr h LEU 45 CO 0.04 0.81 0.02 -0.08 0.09 0.00 0.00 178.44 179.32 3gdr h GLU 46 N 1.18 0.05 -0.63 1.13 4.81 -1.10 -1.66 114.58 118.38 3gdr h GLU 46 Ca 0.30 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 3gdr h GLU 46 Cb -0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3gdr h GLU 46 CO -0.05 0.04 0.06 -0.07 -0.73 0.00 0.00 179.01 178.25 3gdr h LEU 47 N 0.05 1.03 -1.18 1.64 3.38 -0.83 -2.80 115.31 116.61 3gdr h LEU 47 Ca 0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3gdr h LEU 47 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3gdr h LEU 47 CO -0.03 1.06 -0.08 0.58 0.09 0.00 0.00 178.44 180.05 3gdr h VAL 48 N 0.97 1.21 -0.48 1.22 2.07 -0.93 -0.37 116.25 119.94 3gdr h VAL 48 Ca 0.18 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3gdr h VAL 48 Cb 0.49 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3gdr h VAL 48 CO 0.02 0.30 0.21 -0.08 0.02 0.00 0.00 177.57 178.04 3gdr h GLU 49 N 0.44 0.70 -0.07 1.57 4.57 -1.11 0.22 114.58 120.90 3gdr h GLU 49 Ca 0.09 -0.11 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 3gdr h GLU 49 Cb 0.42 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3gdr h GLU 49 CO 0.02 0.61 -0.64 0.00 -1.18 0.00 0.00 179.01 177.82 3gdr h ALA 50 N 1.06 0.77 0.00 2.92 0.00 -1.18 -3.30 119.26 119.53 3gdr h ALA 50 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gdr h ALA 50 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gdr h ALA 50 CO -0.02 0.75 -1.25 1.28 0.00 0.00 0.00 179.25 180.02 3gdr n LEU 51 N -3.85 0.60 -0.38 0.00 4.77 -0.19 -4.48 117.00 113.46 3gdr n LEU 51 Ca -0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3gdr n LEU 51 Cb 0.65 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.74 3gdr n LEU 51 CO 0.45 -0.10 0.60 1.23 -1.33 0.00 0.00 177.39 178.24 3gdr h GLY 52 N 4.10 0.20 2.00 -0.72 0.00 -0.65 0.86 103.07 108.86 3gdr h GLY 52 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 3gdr h GLY 52 CO 0.00 -0.24 -0.02 -2.55 0.00 0.00 0.00 176.54 173.73 3gdr h PRO 53 N -0.00 0.00 -0.02 4.80 0.11 -1.82 -3.08 132.00 131.98 3gdr h PRO 53 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3gdr h PRO 53 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3gdr h PRO 53 CO -0.99 0.02 -0.35 1.63 -0.21 0.00 0.00 178.00 178.10 3gdr n LYS 54 N -3.46 1.50 -4.44 1.05 4.76 0.28 -5.00 118.16 112.85 3gdr n LYS 54 Ca -0.03 -1.23 -0.24 0.00 -2.87 0.00 0.00 58.31 53.95 3gdr n LYS 54 Cb 0.12 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 31.75 3gdr n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gdr s ILE 55 N -2.32 2.61 -0.05 -0.18 -4.36 -1.09 -4.61 121.20 111.19 3gdr s ILE 55 Ca 0.21 -2.28 0.15 0.00 -0.26 0.00 0.00 60.65 58.46 3gdr s ILE 55 Cb 0.18 -2.36 -0.23 0.00 1.25 0.00 0.00 42.46 41.30 3gdr s ILE 55 CO 0.49 -0.36 0.35 0.00 0.24 0.00 0.00 174.94 175.67 3gdr s LEU 57 N -3.99 0.22 -0.21 0.00 2.96 -1.22 -1.74 118.68 114.70 3gdr s LEU 57 Ca -0.05 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 3gdr s LEU 57 Cb 0.10 1.56 -0.01 0.00 0.50 0.00 0.00 46.19 48.34 3gdr s LEU 57 CO 0.63 -0.16 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.22 3gdr s LEU 58 N 0.34 2.83 -0.37 -0.68 2.96 -0.26 -1.58 118.68 121.91 3gdr s LEU 58 Ca -0.01 -0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 53.33 3gdr s LEU 58 Cb -0.04 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3gdr s LEU 58 CO -0.01 -0.01 0.44 -0.75 -1.32 0.00 0.00 176.35 174.70 3gdr s LYS 59 N 1.41 3.42 0.47 1.98 2.20 0.10 -0.70 119.74 128.62 3gdr s LYS 59 Ca 0.05 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 3gdr s LYS 59 Cb -0.14 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 3gdr s LYS 59 CO -0.04 -0.68 0.71 0.95 -0.36 0.00 0.00 175.35 175.93 3gdr s THR 60 N 2.20 4.18 -0.41 3.43 -4.23 0.18 -2.14 115.64 118.86 3gdr s THR 60 Ca 0.14 -0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 3gdr s THR 60 Cb -0.16 -3.57 0.23 0.00 1.34 0.00 0.00 72.50 70.34 3gdr s THR 60 CO 0.13 -0.45 0.49 1.41 -0.54 0.00 0.00 174.62 175.66 3gdr n HIS 61 N -2.16 -0.28 0.27 3.99 -0.00 -1.26 -0.86 115.22 114.91 3gdr n HIS 61 Ca 0.01 -3.54 0.12 0.00 -0.00 0.00 0.00 57.72 54.31 3gdr n HIS 61 Cb 0.57 -0.24 0.77 0.00 -0.00 0.00 0.00 29.99 31.09 3gdr n HIS 61 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 3gdr h VAL 62 N 2.59 0.65 0.00 1.59 -1.51 -1.96 -2.79 116.25 114.82 3gdr h VAL 62 Ca 0.12 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3gdr h VAL 62 Cb 0.88 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3gdr h VAL 62 CO 0.46 0.07 0.00 0.44 -1.23 0.00 0.00 177.57 177.31 3gdr h ASP 63 N 0.00 0.00 -0.02 4.19 3.32 -1.99 -2.62 116.42 119.30 3gdr h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gdr h ASP 63 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3gdr h ASP 63 CO 0.01 0.00 -0.02 2.30 -1.72 0.00 0.00 179.24 179.81 3gdr n ILE 64 N -2.64 0.00 -2.43 0.35 -5.35 -1.05 -4.95 119.36 103.29 3gdr n ILE 64 Ca 0.01 -0.49 -0.41 0.00 -0.27 0.00 0.00 62.75 61.59 3gdr n ILE 64 Cb 0.21 1.35 -0.04 0.00 -1.74 0.00 0.00 39.64 39.43 3gdr n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdr s LEU 65 N -1.47 4.51 0.17 7.28 1.43 -0.99 -4.59 118.68 125.02 3gdr s LEU 65 Ca 0.20 2.27 0.20 0.00 -1.03 0.00 0.00 54.13 55.77 3gdr s LEU 65 Cb 0.14 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 3gdr s LEU 65 CO 0.23 -0.24 1.01 0.71 0.23 0.00 0.00 176.35 178.28 3gdr h THR 66 N 3.35 0.19 -0.96 5.49 1.35 -1.18 -3.39 112.91 117.75 3gdr h THR 66 Ca -0.46 -1.36 -0.46 0.00 -0.55 0.00 0.00 66.41 63.58 3gdr h THR 66 Cb 1.21 1.72 -0.41 0.00 -1.73 0.00 0.00 68.15 68.94 3gdr h THR 66 CO 0.70 0.11 -0.94 -0.90 -0.25 0.00 0.00 175.52 174.24 3gdr n ASP 67 N -2.78 3.44 -4.76 5.36 5.68 -1.26 -5.08 116.55 117.14 3gdr n ASP 67 Ca -0.03 -3.17 -0.40 0.00 -0.50 0.00 0.00 54.79 50.69 3gdr n ASP 67 Cb 0.65 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 3gdr n ASP 67 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3gdr s PHE 68 N -3.52 3.30 -0.03 2.11 5.36 -1.26 -4.72 117.98 119.22 3gdr s PHE 68 Ca 0.40 1.56 -0.30 0.00 -0.96 0.00 0.00 56.93 57.64 3gdr s PHE 68 Cb 0.40 -3.47 0.08 0.00 -0.34 0.00 0.00 43.02 39.68 3gdr s PHE 68 CO -0.04 -1.19 0.70 -1.54 -1.46 0.00 0.00 175.22 171.68 3gdr s SER 69 N -0.72 -0.62 0.24 6.13 1.04 -1.26 -4.98 113.70 113.53 3gdr s SER 69 Ca 0.47 0.57 -0.04 0.00 0.48 0.00 0.00 55.95 57.44 3gdr s SER 69 Cb -0.35 0.53 0.28 0.00 0.10 0.00 0.00 66.02 66.57 3gdr s SER 69 CO 0.46 -0.65 1.74 0.24 0.98 0.00 0.00 173.24 176.02 3gdr h MET 70 N 2.79 0.87 0.20 4.02 2.86 -1.96 0.93 114.93 124.65 3gdr h MET 70 Ca -0.27 -0.24 -0.32 0.00 -2.06 0.00 0.00 59.70 56.81 3gdr h MET 70 Cb 1.17 -0.10 0.03 0.00 0.06 0.00 0.00 31.60 32.76 3gdr h MET 70 CO 0.38 0.85 -1.39 0.93 1.06 0.00 0.00 176.91 178.75 3gdr h GLU 71 N 0.81 0.51 0.00 1.72 4.39 -1.96 -1.45 114.58 118.60 3gdr h GLU 71 Ca 0.16 -0.83 -0.08 0.00 0.34 0.00 0.00 59.36 58.96 3gdr h GLU 71 Cb 0.45 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3gdr h GLU 71 CO 0.02 1.39 -1.30 0.41 -1.16 0.00 0.00 179.01 178.36 3gdr n GLY 72 N 1.60 -1.30 0.57 -3.84 0.00 -1.22 -4.34 105.19 96.66 3gdr n GLY 72 Ca -0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 3gdr n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdr n THR 73 N -2.72 0.96 -0.07 2.61 -1.04 0.30 -4.64 114.28 109.67 3gdr n THR 73 Ca -0.05 0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 62.13 3gdr n THR 73 Cb 0.68 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 3gdr n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdr h VAL 74 N -0.34 1.07 0.41 12.58 2.07 -1.49 -1.83 116.25 128.72 3gdr h VAL 74 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3gdr h VAL 74 Cb 0.34 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3gdr h VAL 74 CO 0.00 0.07 -0.50 0.50 0.02 0.00 0.00 177.57 177.66 3gdr h LYS 75 N 0.37 -0.89 0.00 1.57 3.64 -1.45 0.30 116.57 120.09 3gdr h LYS 75 Ca 0.10 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3gdr h LYS 75 Cb -0.04 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3gdr h LYS 75 CO -0.02 -0.60 -0.14 -1.00 -2.27 0.00 0.00 179.45 175.42 3gdr h PRO 76 N -0.93 0.00 -0.28 1.90 0.13 -1.77 -1.72 132.00 129.33 3gdr h PRO 76 Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3gdr h PRO 76 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3gdr h PRO 76 CO -0.11 0.14 -0.09 1.25 -0.23 0.00 0.00 178.00 178.97 3gdr h LEU 77 N 0.00 0.56 -1.20 1.56 5.85 -0.68 -1.26 115.31 120.14 3gdr h LEU 77 Ca -0.00 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 3gdr h LEU 77 Cb 0.30 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3gdr h LEU 77 CO 0.02 0.81 0.30 0.50 -0.34 0.00 0.00 178.44 179.73 3gdr h LYS 78 N 0.30 0.85 -0.47 1.25 1.63 0.17 0.04 116.57 120.35 3gdr h LYS 78 Ca 0.07 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 3gdr h LYS 78 Cb 0.58 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 3gdr h LYS 78 CO 0.03 0.66 0.05 0.00 -3.45 0.00 0.00 179.45 176.74 3gdr h ALA 79 N 1.47 0.63 -0.46 5.00 0.00 -1.11 -1.75 119.26 123.04 3gdr h ALA 79 Ca 0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gdr h ALA 79 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gdr h ALA 79 CO -0.03 0.38 0.12 -0.07 0.00 0.00 0.00 179.25 179.66 3gdr h LEU 80 N 0.66 0.69 -1.04 0.00 3.38 -0.61 0.14 115.31 118.53 3gdr h LEU 80 Ca 0.14 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3gdr h LEU 80 Cb 0.43 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3gdr h LEU 80 CO 0.01 0.74 0.64 -1.28 0.09 0.00 0.00 178.44 178.64 3gdr h SER 81 N 0.62 1.02 -0.08 -0.43 0.87 -0.86 -0.20 113.55 114.49 3gdr h SER 81 Ca 0.15 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 3gdr h SER 81 Cb 0.31 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3gdr h SER 81 CO -0.00 0.66 -0.54 0.00 -0.53 0.00 0.00 176.83 176.42 3gdr h ALA 82 N 1.46 0.17 -0.38 6.23 0.00 -0.91 -0.21 119.26 125.63 3gdr h ALA 82 Ca 0.42 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gdr h ALA 82 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gdr h ALA 82 CO -0.16 0.39 0.12 -0.22 0.00 0.00 0.00 179.25 179.38 3gdr h LYS 83 N 0.08 0.58 -0.01 0.00 3.64 -0.32 -3.23 116.57 117.31 3gdr h LYS 83 Ca -0.05 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3gdr h LYS 83 Cb 1.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3gdr h LYS 83 CO 0.11 0.59 -0.44 0.66 -2.27 0.00 0.00 179.45 178.10 3gdr n TYR 84 N -4.63 0.00 -2.86 1.91 4.01 -0.12 -5.04 117.16 110.43 3gdr n TYR 84 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.68 3gdr n TYR 84 Cb 0.17 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 3gdr n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gdr n ASN 85 N -0.09 -7.72 -3.68 7.72 5.15 -0.13 -4.67 115.26 111.85 3gdr n ASN 85 Ca 0.10 0.35 -0.12 0.00 -0.60 0.00 0.00 54.58 54.31 3gdr n ASN 85 Cb 0.45 -5.23 -0.06 0.00 -0.53 0.00 0.00 39.78 34.41 3gdr n ASN 85 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3gdr s PHE 86 N -2.68 -0.20 0.41 1.20 -0.12 -0.96 -4.83 117.98 110.81 3gdr s PHE 86 Ca 0.17 0.04 0.04 0.00 -0.05 0.00 0.00 56.93 57.13 3gdr s PHE 86 Cb -0.05 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 3gdr s PHE 86 CO 0.74 -0.60 0.59 -0.51 -0.05 0.00 0.00 175.22 175.39 3gdr s LEU 87 N -2.31 3.73 -0.13 -1.99 1.43 -0.71 -4.70 118.68 114.00 3gdr s LEU 87 Ca -0.02 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3gdr s LEU 87 Cb 0.00 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3gdr s LEU 87 CO -0.06 -0.66 -0.03 -0.76 0.23 0.00 0.00 176.35 175.07 3gdr s LEU 88 N -4.40 3.34 -0.22 1.79 1.43 -1.26 -1.10 118.68 118.26 3gdr s LEU 88 Ca 0.49 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3gdr s LEU 88 Cb -0.10 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.40 3gdr s LEU 88 CO 0.35 0.24 0.00 0.12 0.23 0.00 0.00 176.35 177.29 3gdr s PHE 89 N -0.05 1.64 0.07 0.29 5.36 0.13 -1.19 117.98 124.23 3gdr s PHE 89 Ca 0.02 -1.29 -0.23 0.00 -0.96 0.00 0.00 56.93 54.47 3gdr s PHE 89 Cb -0.13 -1.31 -0.06 0.00 -0.34 0.00 0.00 43.02 41.18 3gdr s PHE 89 CO 0.02 -0.70 0.70 -2.00 -1.46 0.00 0.00 175.22 171.79 3gdr s GLU 90 N 1.65 4.43 0.25 10.12 2.56 -1.03 -0.65 118.70 136.02 3gdr s GLU 90 Ca -0.02 0.96 -0.05 0.00 0.00 0.00 0.00 54.97 55.86 3gdr s GLU 90 Cb -0.18 -3.31 0.31 0.00 2.00 0.00 0.00 34.13 32.95 3gdr s GLU 90 CO -0.08 0.44 1.90 -0.97 -0.56 0.00 0.00 175.26 175.99 3gdr h ASN 91 N 5.12 1.06 -0.02 -1.70 -1.24 -1.36 -3.39 115.58 114.06 3gdr h ASN 91 Ca -0.46 -0.01 -0.47 0.00 0.71 0.00 0.00 56.30 56.07 3gdr h ASN 91 Cb 1.21 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 3gdr h ASN 91 CO 0.68 0.73 0.78 -1.14 -1.29 0.00 0.00 177.43 177.20 3gdr n ARG 92 N -4.46 0.00 -2.87 6.67 3.00 -1.26 -4.81 116.66 112.93 3gdr n ARG 92 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.54 3gdr n ARG 92 Cb 0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 32.46 31.62 3gdr n ARG 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3gdr s LYS 93 N 3.56 3.65 0.35 -0.14 1.02 -1.26 -4.33 119.74 122.58 3gdr s LYS 93 Ca 0.72 -1.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 3gdr s LYS 93 Cb -0.91 -5.01 -0.11 0.00 -0.52 0.00 0.00 37.83 31.28 3gdr s LYS 93 CO 0.40 -1.85 1.48 1.19 -0.92 0.00 0.00 175.35 175.65 3gdr n PHE 94 N 6.87 2.82 -2.69 3.18 3.72 -1.08 -4.73 117.46 125.55 3gdr n PHE 94 Ca 0.27 0.42 -0.07 0.00 -0.05 0.00 0.00 57.45 58.02 3gdr n PHE 94 Cb 0.49 -2.53 0.08 0.00 -0.94 0.00 0.00 39.48 36.58 3gdr n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gdr n ALA 95 N 0.86 2.32 -3.98 4.37 0.00 -1.26 -0.72 120.51 122.10 3gdr n ALA 95 Ca 0.04 -2.10 -0.10 0.00 0.00 0.00 0.00 53.44 51.28 3gdr n ALA 95 Cb 0.38 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3gdr n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gdr n ASP 96 N -0.46 -1.69 -2.91 0.00 -0.08 -1.26 -4.92 116.55 105.24 3gdr n ASP 96 Ca 0.01 -2.83 -0.16 0.00 -1.51 0.00 0.00 54.79 50.30 3gdr n ASP 96 Cb 0.84 3.00 -0.05 0.00 2.34 0.00 0.00 41.12 47.25 3gdr n ASP 96 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3gdr n ILE 97 N -0.57 0.00 -4.96 5.18 -5.35 -1.26 -4.44 119.36 107.96 3gdr n ILE 97 Ca -0.02 -1.57 0.00 0.00 -0.27 0.00 0.00 62.75 60.88 3gdr n ILE 97 Cb 0.60 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 3gdr n ILE 97 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdr n GLY 98 N 0.10 0.82 0.27 3.28 0.00 -1.26 -2.86 105.19 105.54 3gdr n GLY 98 Ca -0.02 -0.85 0.08 0.00 0.00 0.00 0.00 46.02 45.23 3gdr n GLY 98 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gdr h ASN 99 N 0.00 0.09 0.11 1.61 2.35 -1.98 -2.23 115.58 115.53 3gdr h ASN 99 Ca 0.00 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3gdr h ASN 99 Cb 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3gdr h ASN 99 CO 0.00 0.06 -0.13 0.74 -1.65 0.00 0.00 177.43 176.45 3gdr h THR 100 N 0.10 0.69 -0.19 2.81 2.02 -1.98 0.68 112.91 117.05 3gdr h THR 100 Ca 0.04 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 3gdr h THR 100 Cb 0.03 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3gdr h THR 100 CO -0.01 0.00 -0.42 1.62 0.37 0.00 0.00 175.52 177.08 3gdr h VAL 101 N -0.28 1.31 -0.66 3.16 3.04 -1.33 -1.34 116.25 120.14 3gdr h VAL 101 Ca 0.01 -1.59 -0.00 0.00 -1.01 0.00 0.00 66.70 64.11 3gdr h VAL 101 Cb 0.28 1.63 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 3gdr h VAL 101 CO -0.05 0.49 0.41 0.11 -1.01 0.00 0.00 177.57 177.52 3gdr h LYS 102 N 0.37 0.89 0.00 4.17 1.57 -1.10 -2.13 116.57 120.33 3gdr h LYS 102 Ca 0.03 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 3gdr h LYS 102 Cb 0.90 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3gdr h LYS 102 CO 0.08 0.63 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.90 3gdr h LEU 103 N 0.90 0.00 -1.12 2.94 3.38 -0.67 0.59 115.31 121.32 3gdr h LEU 103 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3gdr h LEU 103 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3gdr h LEU 103 CO -0.05 0.61 -0.37 1.56 0.09 0.00 0.00 178.44 180.29 3gdr h GLN 104 N 0.00 0.00 0.11 1.13 4.20 -0.91 0.36 115.11 119.99 3gdr h GLN 104 Ca -0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 3gdr h GLN 104 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3gdr h GLN 104 CO 0.08 0.37 -1.99 0.98 -0.67 0.00 0.00 178.83 177.60 3gdr n TYR 105 N -3.70 1.18 -0.07 2.96 9.36 -0.83 -4.62 117.16 121.43 3gdr n TYR 105 Ca -0.01 0.27 -0.11 0.00 3.32 0.00 0.00 57.90 61.36 3gdr n TYR 105 Cb 0.46 -1.16 -0.15 0.00 -0.63 0.00 0.00 39.34 37.86 3gdr n TYR 105 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gdr n SER 106 N -3.42 0.68 0.00 2.98 3.41 0.18 -0.35 113.62 117.11 3gdr n SER 106 Ca -0.31 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3gdr n SER 106 Cb 1.05 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 3gdr n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdr n ALA 107 N -2.75 0.00 -0.50 7.33 0.00 0.11 -4.44 120.51 120.26 3gdr n ALA 107 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3gdr n ALA 107 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.55 3gdr n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdr n GLY 108 N 5.00 -1.07 0.14 0.00 0.00 -1.26 -1.53 105.19 106.47 3gdr n GLY 108 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 3gdr n GLY 108 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gdr h VAL 109 N 0.00 1.46 0.01 1.61 -1.51 -1.97 -3.32 116.25 112.52 3gdr h VAL 109 Ca 0.00 -2.44 -0.20 0.00 -1.23 0.00 0.00 66.70 62.83 3gdr h VAL 109 Cb 0.00 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 3gdr h VAL 109 CO 0.00 0.72 -0.90 1.88 -1.23 0.00 0.00 177.57 178.04 3gdr h TYR 110 N 0.14 0.17 -7.04 5.19 0.05 -1.97 -3.45 116.97 110.06 3gdr h TYR 110 Ca -0.04 -0.10 -0.61 0.00 0.05 0.00 0.00 58.73 58.03 3gdr h TYR 110 Cb 1.41 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 38.98 3gdr h TYR 110 CO 0.03 0.95 -0.97 0.54 -1.05 0.00 0.00 178.16 177.66 3gdr n ARG 111 N -3.58 -0.74 -0.27 4.88 1.74 -0.58 -4.82 116.66 113.29 3gdr n ARG 111 Ca -0.02 0.08 0.07 0.00 -0.77 0.00 0.00 57.85 57.21 3gdr n ARG 111 Cb 0.83 -3.23 0.22 0.00 -1.02 0.00 0.00 32.46 29.26 3gdr n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdr h ILE 112 N -1.98 0.57 0.00 0.55 2.04 -1.73 -1.60 117.51 115.36 3gdr h ILE 112 Ca -0.67 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3gdr h ILE 112 Cb 1.38 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3gdr h ILE 112 CO 0.65 0.07 -0.01 0.00 0.00 0.00 0.00 178.15 178.86 3gdr h ALA 113 N 1.61 1.26 0.00 1.87 0.00 -0.97 0.53 119.26 123.55 3gdr h ALA 113 Ca 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 3gdr h ALA 113 Cb 0.76 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gdr h ALA 113 CO -0.47 0.01 -0.01 0.93 0.00 0.00 0.00 179.25 179.72 3gdr h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.56 -3.39 114.58 114.71 3gdr h GLU 114 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gdr h GLU 114 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gdr h GLU 114 CO 0.00 0.01 -0.27 -2.67 -1.00 0.00 0.00 179.01 175.08 3gdr n TRP 115 N -3.10 0.00 -2.67 4.33 4.27 -0.82 -5.04 117.44 114.40 3gdr n TRP 115 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 3gdr n TRP 115 Cb 0.37 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.30 3gdr n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdr s ALA 116 N -0.82 3.25 0.23 -1.67 0.00 0.11 -4.80 121.76 118.06 3gdr s ALA 116 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 3gdr s ALA 116 Cb 0.00 -3.78 0.28 0.00 0.00 0.00 0.00 23.12 19.62 3gdr s ALA 116 CO 0.00 -2.04 1.86 -0.44 0.00 0.00 0.00 175.76 175.14 3gdr h ASP 117 N 8.96 0.84 -4.31 0.00 3.32 -1.65 -3.44 116.42 120.15 3gdr h ASP 117 Ca -0.23 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.34 3gdr h ASP 117 Cb 1.07 -0.18 -0.25 0.00 0.22 0.00 0.00 39.33 40.19 3gdr h ASP 117 CO 1.08 0.56 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.73 3gdr s ILE 118 N -6.09 1.28 0.29 0.35 1.01 -0.34 -1.43 121.20 116.28 3gdr s ILE 118 Ca -0.13 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.48 3gdr s ILE 118 Cb 0.17 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3gdr s ILE 118 CO 0.79 0.05 0.20 0.42 0.00 0.00 0.00 174.94 176.39 3gdr s THR 119 N -0.86 0.11 0.07 2.92 -4.23 -0.91 -2.48 115.64 110.26 3gdr s THR 119 Ca 0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 3gdr s THR 119 Cb -0.08 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 3gdr s THR 119 CO 0.02 0.00 -0.08 0.54 -0.54 0.00 0.00 174.62 174.56 3gdr s ASN 120 N -3.33 1.07 0.02 3.99 2.20 -1.26 -0.65 114.94 116.99 3gdr s ASN 120 Ca 0.38 -0.77 -0.02 0.00 -0.94 0.00 0.00 52.86 51.51 3gdr s ASN 120 Cb 0.04 0.05 -0.01 0.00 -2.00 0.00 0.00 41.25 39.33 3gdr s ASN 120 CO 0.20 -0.31 0.02 0.00 -2.94 0.00 0.00 177.10 174.07 3gdr s ALA 121 N -2.43 0.00 0.05 3.54 0.00 -0.39 -2.64 121.76 119.89 3gdr s ALA 121 Ca 0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 3gdr s ALA 121 Cb -0.03 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 3gdr s ALA 121 CO -0.02 -0.19 0.83 -1.01 0.00 0.00 0.00 175.76 175.37 3gdr s HIS 122 N -1.60 3.74 -1.17 0.00 3.76 0.10 -1.28 115.29 118.84 3gdr s HIS 122 Ca -0.14 1.56 0.29 0.00 -0.15 0.00 0.00 55.06 56.62 3gdr s HIS 122 Cb -0.08 -2.90 1.34 0.00 1.11 0.00 0.00 32.58 32.05 3gdr s HIS 122 CO -0.01 0.23 1.97 0.41 -0.85 0.00 0.00 174.74 176.49 3gdr n GLY 123 N 2.43 -1.41 0.39 -2.22 0.00 -1.26 -4.15 105.19 98.97 3gdr n GLY 123 Ca -0.01 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.06 3gdr n GLY 123 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3gdr h VAL 124 N 0.01 0.71 0.00 1.61 3.04 -1.95 -0.14 116.25 119.53 3gdr h VAL 124 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3gdr h VAL 124 Cb 0.42 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 3gdr h VAL 124 CO 0.00 0.09 0.00 1.33 -1.01 0.00 0.00 177.57 177.98 3gdr n VAL 125 N -4.56 0.28 0.00 1.51 0.24 -1.26 -5.01 118.33 109.53 3gdr n VAL 125 Ca 0.20 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 3gdr n VAL 125 Cb 0.64 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 3gdr n VAL 125 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gdr n GLY 126 N 0.68 0.18 0.29 7.63 0.00 -0.07 -4.55 105.19 109.35 3gdr n GLY 126 Ca 0.11 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.35 3gdr n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdr h PRO 127 N 0.00 0.00 -0.23 1.61 0.13 -1.94 -2.49 132.00 129.08 3gdr h PRO 127 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 3gdr h PRO 127 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3gdr h PRO 127 CO 0.00 0.00 0.18 0.78 -0.23 0.00 0.00 178.00 178.73 3gdr h GLY 128 N 0.00 0.00 1.47 1.56 0.00 -1.96 -0.29 103.07 103.85 3gdr h GLY 128 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3gdr h GLY 128 CO 0.00 0.00 -0.34 1.19 0.00 0.00 0.00 176.54 177.39 3gdr h ILE 129 N 0.00 1.29 0.15 2.60 2.10 -1.66 0.35 117.51 122.33 3gdr h ILE 129 Ca 0.11 -1.46 -0.01 0.00 1.08 0.00 0.00 64.86 64.58 3gdr h ILE 129 Cb 0.47 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 3gdr h ILE 129 CO -0.00 0.47 -0.07 0.58 -1.08 0.00 0.00 178.15 178.05 3gdr h VAL 130 N 0.51 1.01 -0.49 2.19 2.07 -1.29 -1.15 116.25 119.10 3gdr h VAL 130 Ca 0.06 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3gdr h VAL 130 Cb 0.83 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3gdr h VAL 130 CO 0.07 0.18 0.08 0.77 0.02 0.00 0.00 177.57 178.69 3gdr h SER 131 N -0.59 0.72 -0.12 0.57 4.64 -1.34 -0.53 113.55 116.92 3gdr h SER 131 Ca -0.02 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3gdr h SER 131 Cb 0.45 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3gdr h SER 131 CO 0.03 0.74 -0.06 1.23 -0.87 0.00 0.00 176.83 177.91 3gdr h GLY 132 N 0.95 0.27 1.52 -0.77 0.00 -0.93 -2.11 103.07 102.00 3gdr h GLY 132 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3gdr h GLY 132 CO 0.01 0.22 -0.16 1.41 0.00 0.00 0.00 176.54 178.02 3gdr h LEU 133 N -0.10 0.57 -0.35 3.11 3.38 -1.10 -2.03 115.31 118.79 3gdr h LEU 133 Ca 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3gdr h LEU 133 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gdr h LEU 133 CO 0.02 0.75 0.17 0.50 0.09 0.00 0.00 178.44 179.96 3gdr h LYS 134 N 0.52 0.50 -0.68 1.13 3.64 -1.04 -0.99 116.57 119.66 3gdr h LYS 134 Ca 0.09 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3gdr h LYS 134 Cb 0.58 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3gdr h LYS 134 CO 0.04 0.45 0.16 0.37 -2.27 0.00 0.00 179.45 178.19 3gdr h GLN 135 N 0.42 1.08 -0.51 1.90 4.15 -1.20 -2.07 115.11 118.89 3gdr h GLN 135 Ca 0.12 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 3gdr h GLN 135 Cb 0.11 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3gdr h GLN 135 CO -0.02 0.96 0.13 0.00 -1.93 0.00 0.00 178.83 177.98 3gdr h ALA 136 N 1.14 0.67 -0.09 3.38 0.00 -1.11 -1.67 119.26 121.57 3gdr h ALA 136 Ca 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gdr h ALA 136 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gdr h ALA 136 CO 0.00 0.35 0.04 0.00 0.00 0.00 0.00 179.25 179.64 3gdr h ALA 137 N 1.00 0.10 -0.51 0.00 0.00 -0.95 -1.29 119.26 117.62 3gdr h ALA 137 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gdr h ALA 137 Cb 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gdr h ALA 137 CO -0.00 -0.42 0.32 0.93 0.00 0.00 0.00 179.25 180.08 3gdr h GLU 138 N 0.09 0.67 0.00 0.00 5.08 -1.24 -0.92 114.58 118.26 3gdr h GLU 138 Ca 0.04 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3gdr h GLU 138 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3gdr h GLU 138 CO -0.03 0.46 -0.48 0.93 -1.00 0.00 0.00 179.01 178.89 3gdr h GLU 139 N 0.69 0.00 0.11 2.33 5.08 -0.95 -3.35 114.58 118.50 3gdr h GLU 139 Ca 0.18 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.24 3gdr h GLU 139 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3gdr h GLU 139 CO -0.04 0.48 -1.57 0.28 -1.00 0.00 0.00 179.01 177.17 3gdr h VAL 140 N 0.00 0.92 -3.66 3.13 2.07 -0.60 -3.49 116.25 114.61 3gdr h VAL 140 Ca -0.00 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 3gdr h VAL 140 Cb 1.23 2.63 -0.13 0.00 -1.52 0.00 0.00 31.29 33.50 3gdr h VAL 140 CO 0.06 0.73 -0.24 0.28 0.02 0.00 0.00 177.57 178.43 3gdr s THR 141 N -2.50 0.09 -1.84 2.57 -1.32 -0.41 -4.98 115.64 107.26 3gdr s THR 141 Ca -0.21 -1.01 0.23 0.00 -1.21 0.00 0.00 61.69 59.49 3gdr s THR 141 Cb 0.05 -1.41 -0.01 0.00 -1.51 0.00 0.00 72.50 69.62 3gdr s THR 141 CO 0.76 -0.43 1.12 2.29 -2.21 0.00 0.00 174.62 176.15 3gdr n LYS 142 N -0.17 0.98 -2.28 7.08 -0.00 -1.26 -4.32 118.16 118.19 3gdr n LYS 142 Ca -0.13 -0.78 -0.36 0.00 -0.00 0.00 0.00 58.31 57.03 3gdr n LYS 142 Cb 0.63 -1.48 -0.01 0.00 -0.00 0.00 0.00 35.03 34.17 3gdr n LYS 142 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3gdr s GLU 143 N -2.56 3.66 0.20 -1.58 0.41 -1.26 -4.94 118.70 112.62 3gdr s GLU 143 Ca 0.18 1.71 -0.33 0.00 -0.41 0.00 0.00 54.97 56.12 3gdr s GLU 143 Cb 0.18 -2.29 -0.13 0.00 -1.78 0.00 0.00 34.13 30.11 3gdr s GLU 143 CO 0.61 -0.62 1.54 -2.30 -0.49 0.00 0.00 175.26 174.00 3gdr n PRO 144 N -0.72 2.21 -4.31 0.39 -0.02 -1.26 -5.01 135.00 126.29 3gdr n PRO 144 Ca 0.08 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 62.18 3gdr n PRO 144 Cb 0.49 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.29 3gdr n PRO 144 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gdr s ARG 145 N 0.41 0.70 0.07 -0.52 1.81 -1.26 -4.79 118.95 115.36 3gdr s ARG 145 Ca 0.74 -0.40 0.01 0.00 -1.72 0.00 0.00 55.73 54.36 3gdr s ARG 145 Cb -0.64 -0.66 -0.04 0.00 -0.45 0.00 0.00 34.95 33.16 3gdr s ARG 145 CO 0.42 0.17 -0.05 0.20 -0.68 0.00 0.00 175.30 175.36 3gdr s GLY 146 N -0.44 0.60 -0.02 -3.53 0.00 -0.51 -4.80 107.32 98.61 3gdr s GLY 146 Ca 0.02 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 43.60 3gdr s GLY 146 CO -0.00 -1.28 -0.16 -2.27 0.00 0.00 0.00 173.10 169.39 3gdr s LEU 147 N -2.72 1.99 -0.08 0.66 2.96 -0.01 -2.13 118.68 119.35 3gdr s LEU 147 Ca 0.06 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3gdr s LEU 147 Cb 0.03 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 3gdr s LEU 147 CO -0.06 0.18 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.35 3gdr s LEU 148 N -0.24 3.30 -0.03 -0.68 1.43 0.18 -1.50 118.68 121.14 3gdr s LEU 148 Ca 0.03 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 3gdr s LEU 148 Cb -0.08 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3gdr s LEU 148 CO 0.00 0.35 0.32 -0.04 0.23 0.00 0.00 176.35 177.22 3gdr s MET 149 N -0.74 3.76 -1.27 1.70 -1.94 -0.56 -1.26 119.30 118.97 3gdr s MET 149 Ca 0.11 0.22 -0.17 0.00 -1.71 0.00 0.00 55.69 54.15 3gdr s MET 149 Cb -0.11 -3.20 0.10 0.00 2.01 0.00 0.00 34.83 33.63 3gdr s MET 149 CO 0.02 0.71 1.65 -0.51 -0.01 0.00 0.00 175.02 176.88 3gdr s LEU 150 N -1.13 4.18 0.17 -0.03 1.43 -0.40 -1.72 118.68 121.18 3gdr s LEU 150 Ca 0.22 -2.60 0.01 0.00 -1.03 0.00 0.00 54.13 50.73 3gdr s LEU 150 Cb -0.15 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.58 3gdr s LEU 150 CO 0.11 -1.05 1.41 0.00 0.23 0.00 0.00 176.35 177.04 3gdr h ALA 151 N 7.46 0.57 -2.99 4.21 0.00 -1.81 -3.42 119.26 123.27 3gdr h ALA 151 Ca 0.41 -0.67 -0.40 0.00 0.00 0.00 0.00 54.91 54.25 3gdr h ALA 151 Cb 0.87 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.20 3gdr h ALA 151 CO 1.40 0.85 -0.71 -1.21 0.00 0.00 0.00 179.25 179.58 3gdr s GLU 152 N -3.37 0.06 0.48 0.00 2.02 -1.02 -4.36 118.70 112.51 3gdr s GLU 152 Ca -0.04 0.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.04 3gdr s GLU 152 Cb 0.10 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.00 3gdr s GLU 152 CO 0.83 -0.57 0.76 -0.51 0.02 0.00 0.00 175.26 175.79 3gdr s LEU 153 N 2.20 3.61 0.00 1.80 1.43 -1.26 -4.38 118.68 122.08 3gdr s LEU 153 Ca 0.04 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 53.94 3gdr s LEU 153 Cb -0.15 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3gdr s LEU 153 CO -0.08 -0.64 0.43 -1.20 0.23 0.00 0.00 176.35 175.09 3gdr n SER 154 N -2.24 0.85 -4.78 2.29 7.64 -1.26 -4.94 113.62 111.17 3gdr n SER 154 Ca 0.01 -0.92 -0.34 0.00 1.01 0.00 0.00 58.87 58.62 3gdr n SER 154 Cb 0.56 0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 64.17 3gdr n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gdr n LYS 156 N -1.43 2.39 -1.08 0.00 3.00 -1.26 -2.14 118.16 117.64 3gdr n LYS 156 Ca 0.10 0.87 -0.03 0.00 -0.00 0.00 0.00 58.31 59.25 3gdr n LYS 156 Cb 0.52 -2.68 -0.01 0.00 0.00 0.00 0.00 35.03 32.85 3gdr n LYS 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gdr n GLY 157 N 3.79 0.59 3.72 3.14 0.00 -1.26 -5.00 105.19 110.16 3gdr n GLY 157 Ca 0.18 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3gdr n GLY 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gdr s SER 158 N -2.48 4.23 -0.08 1.61 1.04 -0.91 -4.95 113.70 112.17 3gdr s SER 158 Ca 0.00 2.49 0.18 0.00 0.48 0.00 0.00 55.95 59.10 3gdr s SER 158 Cb 0.00 -2.60 0.62 0.00 0.10 0.00 0.00 66.02 64.14 3gdr s SER 158 CO 0.00 -2.25 1.53 0.18 0.98 0.00 0.00 173.24 173.69 3gdr n LEU 159 N -2.47 4.22 -3.61 2.42 4.77 -1.26 -4.78 117.00 116.29 3gdr n LEU 159 Ca 0.15 -2.33 -0.41 0.00 -0.03 0.00 0.00 56.01 53.39 3gdr n LEU 159 Cb 0.49 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3gdr n LEU 159 CO 0.47 0.83 2.58 0.00 -1.33 0.00 0.00 177.39 179.94 3gdr n ALA 160 N 0.99 5.08 -1.42 -1.18 0.00 -1.26 -4.78 120.51 117.93 3gdr n ALA 160 Ca 0.23 -3.54 -0.15 0.00 0.00 0.00 0.00 53.44 49.97 3gdr n ALA 160 Cb 0.76 -3.51 0.16 0.00 0.00 0.00 0.00 19.45 16.86 3gdr n ALA 160 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gdr n THR 161 N 5.12 0.00 -0.33 0.00 -2.24 -1.26 -4.68 114.28 110.89 3gdr n THR 161 Ca 0.54 -0.57 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 3gdr n THR 161 Cb 0.36 -1.45 0.09 0.00 -2.10 0.00 0.00 70.33 67.22 3gdr n THR 161 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gdr h GLY 162 N -1.61 1.29 1.27 3.38 0.00 -1.97 0.37 103.07 105.79 3gdr h GLY 162 Ca -0.31 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.31 3gdr h GLY 162 CO 0.21 0.51 -0.56 -2.09 0.00 0.00 0.00 176.54 174.62 3gdr h GLU 163 N 1.22 0.76 -0.38 4.80 4.57 -1.95 -1.42 114.58 122.18 3gdr h GLU 163 Ca 0.32 -0.49 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 3gdr h GLU 163 Cb -0.06 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3gdr h GLU 163 CO -0.06 1.12 0.04 -0.92 -1.18 0.00 0.00 179.01 178.00 3gdr h TYR 164 N 0.58 0.70 -0.72 0.92 3.20 -1.80 -0.91 116.97 118.94 3gdr h TYR 164 Ca 0.01 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 3gdr h TYR 164 Cb 1.15 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 3gdr h TYR 164 CO 0.06 0.71 0.38 1.15 -1.64 0.00 0.00 178.16 178.82 3gdr h THR 165 N 0.48 1.23 -0.46 1.81 2.02 -0.88 0.22 112.91 117.33 3gdr h THR 165 Ca 0.11 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3gdr h THR 165 Cb 0.41 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3gdr h THR 165 CO 0.01 0.26 0.27 0.50 0.37 0.00 0.00 175.52 176.93 3gdr h LYS 166 N 1.00 0.64 -0.47 6.66 3.11 -1.04 0.28 116.57 126.75 3gdr h LYS 166 Ca 0.25 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.99 3gdr h LYS 166 Cb 0.07 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.15 3gdr h LYS 166 CO -0.04 0.49 0.16 0.78 -2.81 0.00 0.00 179.45 178.03 3gdr h GLY 167 N 0.61 0.73 1.03 5.01 0.00 -0.66 -1.41 103.07 108.38 3gdr h GLY 167 Ca 0.17 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3gdr h GLY 167 CO -0.03 0.35 -0.16 -0.84 0.00 0.00 0.00 176.54 175.86 3gdr h THR 168 N 0.67 1.28 -0.72 4.70 2.02 -0.22 -2.00 112.91 118.64 3gdr h THR 168 Ca 0.16 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 3gdr h THR 168 Cb 0.18 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3gdr h THR 168 CO -0.01 0.44 0.25 0.58 0.37 0.00 0.00 175.52 177.14 3gdr h VAL 169 N 0.67 1.25 -0.75 3.16 2.07 -0.54 -1.46 116.25 120.65 3gdr h VAL 169 Ca 0.10 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 3gdr h VAL 169 Cb 0.72 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3gdr h VAL 169 CO 0.05 0.33 0.38 0.44 0.02 0.00 0.00 177.57 178.80 3gdr h ASP 170 N 1.05 0.96 -0.62 0.57 3.32 -1.03 -1.87 116.42 118.80 3gdr h ASP 170 Ca 0.24 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3gdr h ASP 170 Cb 0.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3gdr h ASP 170 CO -0.01 0.81 0.30 0.40 -1.72 0.00 0.00 179.24 179.02 3gdr h ILE 171 N 1.05 1.21 -0.83 0.35 2.04 -0.88 -2.32 117.51 118.13 3gdr h ILE 171 Ca 0.26 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.62 3gdr h ILE 171 Cb 0.08 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3gdr h ILE 171 CO -0.04 0.25 0.54 0.00 0.00 0.00 0.00 178.15 178.90 3gdr h ALA 172 N 1.13 1.70 0.00 1.87 0.00 -0.58 -0.68 119.26 122.70 3gdr h ALA 172 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gdr h ALA 172 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gdr h ALA 172 CO -0.03 0.13 0.00 0.87 0.00 0.00 0.00 179.25 180.22 3gdr h LYS 173 N 0.80 0.00 0.00 0.00 1.57 -0.77 -2.67 116.57 115.49 3gdr h LYS 173 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3gdr h LYS 173 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gdr h LYS 173 CO -0.15 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.39 3gdr h SER 174 N 0.00 0.00 -1.22 0.86 4.64 -1.15 -3.39 113.55 113.29 3gdr h SER 174 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3gdr h SER 174 Cb 0.14 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.02 3gdr h SER 174 CO 0.00 0.00 -0.51 -0.62 -0.87 0.00 0.00 176.83 174.83 3gdr s ASP 175 N -4.41 -0.92 0.16 4.97 -1.08 -1.01 -4.99 116.67 109.40 3gdr s ASP 175 Ca 0.05 -1.05 0.23 0.00 -0.52 0.00 0.00 52.55 51.26 3gdr s ASP 175 Cb 0.10 1.63 0.90 0.00 -1.46 0.00 0.00 42.92 44.09 3gdr s ASP 175 CO 0.43 -0.18 1.71 2.29 0.52 0.00 0.00 175.17 179.95 3gdr n LYS 176 N 4.26 0.15 0.08 4.34 2.85 -1.26 -1.00 118.16 127.58 3gdr n LYS 176 Ca 0.12 0.28 -0.14 0.00 -1.05 0.00 0.00 58.31 57.51 3gdr n LYS 176 Cb 0.54 -1.74 -0.08 0.00 -0.65 0.00 0.00 35.03 33.11 3gdr n LYS 176 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gdr h ASP 177 N 0.00 0.48 0.00 -5.58 3.45 -1.94 -3.40 116.42 109.43 3gdr h ASP 177 Ca 0.00 -0.43 -0.31 0.00 0.43 0.00 0.00 57.03 56.73 3gdr h ASP 177 Cb 0.47 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 39.03 3gdr h ASP 177 CO 0.00 1.26 -2.16 0.33 -1.57 0.00 0.00 179.24 177.10 3gdr n PHE 178 N -3.67 0.00 -2.83 4.55 7.35 -1.15 -4.40 117.46 117.31 3gdr n PHE 178 Ca -0.07 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.19 3gdr n PHE 178 Cb 0.90 -0.79 -0.04 0.00 0.35 0.00 0.00 39.48 39.90 3gdr n PHE 178 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gdr s VAL 179 N -2.41 4.38 -1.12 -2.13 1.01 -0.17 -0.83 120.40 119.13 3gdr s VAL 179 Ca -0.27 0.31 0.25 0.00 0.00 0.00 0.00 61.98 62.28 3gdr s VAL 179 Cb 0.07 -4.54 0.06 0.00 0.00 0.00 0.00 36.38 31.97 3gdr s VAL 179 CO 0.48 -1.11 1.46 2.30 0.00 0.00 0.00 175.10 178.22 3gdr n ILE 180 N 6.22 0.00 -1.59 2.22 -5.35 -0.56 -4.61 119.36 115.69 3gdr n ILE 180 Ca 0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3gdr n ILE 180 Cb 0.48 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 3gdr n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdr n GLY 181 N 1.47 -0.54 3.13 3.28 0.00 -1.24 -1.03 105.19 110.26 3gdr n GLY 181 Ca 0.07 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 3gdr n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdr s PHE 182 N -3.58 0.65 -0.35 1.61 0.08 -0.22 -1.50 117.98 114.67 3gdr s PHE 182 Ca 0.00 -1.11 -0.11 0.00 0.12 0.00 0.00 56.93 55.83 3gdr s PHE 182 Cb 0.00 -0.40 0.01 0.00 -0.57 0.00 0.00 43.02 42.06 3gdr s PHE 182 CO 0.00 -0.46 0.21 0.42 -0.10 0.00 0.00 175.22 175.28 3gdr s ILE 183 N -3.98 4.80 0.30 0.64 -1.09 -0.70 -1.36 121.20 119.81 3gdr s ILE 183 Ca 0.15 -0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 57.84 3gdr s ILE 183 Cb 0.07 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 3gdr s ILE 183 CO -0.05 -0.10 0.64 0.00 -1.23 0.00 0.00 174.94 174.20 3gdr s ALA 184 N 1.62 -0.62 -1.27 9.38 0.00 -0.77 -2.42 121.76 127.68 3gdr s ALA 184 Ca 0.04 -0.70 0.19 0.00 0.00 0.00 0.00 51.96 51.49 3gdr s ALA 184 Cb -0.18 0.91 -0.12 0.00 0.00 0.00 0.00 23.12 23.73 3gdr s ALA 184 CO 0.08 -0.95 0.87 1.04 0.00 0.00 0.00 175.76 176.80 3gdr n GLN 185 N -0.46 1.12 -4.04 0.00 1.13 -1.26 -3.97 117.38 109.89 3gdr n GLN 185 Ca -0.04 -0.39 -0.13 0.00 -1.94 0.00 0.00 57.00 54.50 3gdr n GLN 185 Cb 0.60 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.54 3gdr n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdr s ARG 186 N -2.52 1.86 0.34 -1.09 1.70 -1.26 -4.92 118.95 113.06 3gdr s ARG 186 Ca 0.11 -1.61 -0.28 0.00 -0.47 0.00 0.00 55.73 53.47 3gdr s ARG 186 Cb 0.15 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.89 3gdr s ARG 186 CO 0.65 -0.78 1.29 0.34 -1.08 0.00 0.00 175.30 175.71 3gdr s ASP 187 N -3.17 6.74 -0.10 -2.89 2.15 -1.22 -4.92 116.67 113.26 3gdr s ASP 187 Ca 0.27 2.65 0.15 0.00 0.43 0.00 0.00 52.55 56.05 3gdr s ASP 187 Cb -0.01 -2.65 0.53 0.00 -0.30 0.00 0.00 42.92 40.50 3gdr s ASP 187 CO 0.17 -0.55 1.45 0.23 -0.17 0.00 0.00 175.17 176.29 3gdr n MET 188 N 0.71 3.24 0.00 4.34 2.81 -1.26 -5.07 117.12 121.89 3gdr n MET 188 Ca 0.01 -2.62 0.00 0.00 -1.81 0.00 0.00 57.70 53.28 3gdr n MET 188 Cb 0.42 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 3gdr n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdr n GLY 189 N 0.43 2.78 1.02 3.03 0.00 -1.26 -4.93 105.19 106.26 3gdr n GLY 189 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gdr n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdr n GLY 190 N 0.00 3.05 0.32 -0.02 0.00 -1.26 -4.75 105.19 102.53 3gdr n GLY 190 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3gdr n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdr h ARG 191 N 0.91 0.78 0.00 1.61 3.08 -1.90 -0.17 114.38 118.69 3gdr h ARG 191 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3gdr h ARG 191 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3gdr h ARG 191 CO 0.00 0.52 0.00 -0.44 -1.07 0.00 0.00 179.97 178.98 3gdr h ASP 192 N 0.80 0.00 -0.05 7.04 3.45 -1.92 -2.48 116.42 123.27 3gdr h ASP 192 Ca 0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.91 3gdr h ASP 192 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3gdr h ASP 192 CO -0.29 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 176.76 3gdr n GLU 193 N -2.61 2.09 -0.53 3.56 4.71 -0.14 -4.96 120.64 122.77 3gdr n GLU 193 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 57.16 55.31 3gdr n GLU 193 Cb 0.19 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 3gdr n GLU 193 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gdr n GLY 194 N 1.25 0.88 3.52 0.62 0.00 -0.93 -5.08 105.19 105.45 3gdr n GLY 194 Ca 0.13 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3gdr n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdr s TYR 195 N -2.00 2.80 -0.49 1.61 2.02 -0.83 -5.02 117.35 115.45 3gdr s TYR 195 Ca 0.00 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 3gdr s TYR 195 Cb 0.00 -1.67 0.14 0.00 -0.40 0.00 0.00 41.96 40.03 3gdr s TYR 195 CO 0.00 0.24 0.29 0.34 -1.57 0.00 0.00 175.55 174.85 3gdr s ASP 196 N -0.74 3.80 -0.06 2.29 2.15 -1.26 -3.15 116.67 119.69 3gdr s ASP 196 Ca 0.11 -2.92 -0.16 0.00 0.43 0.00 0.00 52.55 50.02 3gdr s ASP 196 Cb -0.11 -1.21 -0.05 0.00 -0.30 0.00 0.00 42.92 41.25 3gdr s ASP 196 CO 0.01 -0.23 0.42 0.26 -0.17 0.00 0.00 175.17 175.47 3gdr s TRP 197 N -0.07 3.61 0.04 -5.34 0.51 -1.26 -4.88 118.94 111.56 3gdr s TRP 197 Ca 0.20 0.91 -0.30 0.00 -2.12 0.00 0.00 56.10 54.78 3gdr s TRP 197 Cb -0.20 -2.40 -0.05 0.00 -0.81 0.00 0.00 33.47 30.01 3gdr s TRP 197 CO -0.04 0.41 1.13 -0.51 -0.51 0.00 0.00 176.95 177.44 3gdr s LEU 198 N -0.23 4.37 -0.33 2.99 1.43 -0.20 -4.91 118.68 121.79 3gdr s LEU 198 Ca 0.24 1.90 -0.06 0.00 -1.03 0.00 0.00 54.13 55.19 3gdr s LEU 198 Cb -0.16 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3gdr s LEU 198 CO 0.11 -0.41 0.09 -0.63 0.23 0.00 0.00 176.35 175.74 3gdr s ILE 199 N 1.06 3.65 -0.20 -0.59 -1.09 -1.26 -1.05 121.20 121.72 3gdr s ILE 199 Ca 0.57 -1.16 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 3gdr s ILE 199 Cb -0.27 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 3gdr s ILE 199 CO 0.29 -0.16 0.02 -0.04 -1.23 0.00 0.00 174.94 173.82 3gdr s MET 200 N 1.38 3.69 -0.22 2.79 -1.94 -0.46 -0.72 119.30 123.82 3gdr s MET 200 Ca -0.02 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 53.47 3gdr s MET 200 Cb -0.19 -3.15 0.02 0.00 2.01 0.00 0.00 34.83 33.52 3gdr s MET 200 CO 0.02 0.03 -0.12 0.99 -0.01 0.00 0.00 175.02 175.94 3gdr s THR 201 N 0.97 2.57 0.76 2.05 2.01 -0.11 -1.84 115.64 122.05 3gdr s THR 201 Ca 0.02 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 3gdr s THR 201 Cb -0.14 -2.21 0.13 0.00 0.01 0.00 0.00 72.50 70.28 3gdr s THR 201 CO 0.02 0.36 1.06 -2.16 -0.69 0.00 0.00 174.62 173.21 3gdr s PRO 202 N 1.32 1.59 -0.65 4.92 0.04 -1.26 -0.39 135.00 140.57 3gdr s PRO 202 Ca 0.02 -0.78 -0.02 0.00 0.04 0.00 0.00 61.00 60.27 3gdr s PRO 202 Cb -0.15 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3gdr s PRO 202 CO -0.08 -1.59 0.21 0.41 0.04 0.00 0.00 177.00 175.99 3gdr n GLY 203 N -3.03 0.16 3.70 0.56 0.00 -1.23 -4.87 105.19 100.49 3gdr n GLY 203 Ca 0.13 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3gdr n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdr s VAL 204 N -2.73 4.82 0.00 1.61 1.01 -1.23 -1.59 120.40 122.30 3gdr s VAL 204 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3gdr s VAL 204 Cb -0.04 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3gdr s VAL 204 CO 0.13 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3gdr n GLY 205 N 2.80 0.29 0.00 4.51 0.00 -1.26 -4.68 105.19 106.85 3gdr n GLY 205 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3gdr n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdr n ARG 218 N -1.37 0.00 -1.96 1.61 1.74 -0.62 -4.74 116.66 111.32 3gdr n ARG 218 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3gdr n ARG 218 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3gdr n ARG 218 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gdr s THR 219 N 0.00 4.63 0.09 0.55 -4.23 -1.26 -4.92 115.64 110.50 3gdr s THR 219 Ca 0.00 0.77 -0.26 0.00 -1.18 0.00 0.00 61.69 61.02 3gdr s THR 219 Cb 0.00 -3.84 -0.15 0.00 1.34 0.00 0.00 72.50 69.85 3gdr s THR 219 CO 0.00 -1.07 1.70 0.58 -0.54 0.00 0.00 174.62 175.28 3gdr h VAL 220 N -0.28 0.75 -0.83 2.29 2.07 -1.95 -2.01 116.25 116.29 3gdr h VAL 220 Ca -0.44 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.20 3gdr h VAL 220 Cb 1.20 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3gdr h VAL 220 CO 0.62 0.00 0.44 0.44 0.02 0.00 0.00 177.57 179.09 3gdr h ASP 221 N -0.31 0.57 0.70 0.57 3.32 -1.94 -1.23 116.42 118.09 3gdr h ASP 221 Ca -0.02 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3gdr h ASP 221 Cb 0.26 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.79 3gdr h ASP 221 CO 0.03 0.28 -0.35 -0.78 -1.72 0.00 0.00 179.24 176.70 3gdr h ASP 222 N 0.67 -0.83 -0.52 6.45 3.58 -1.86 -1.59 116.42 122.32 3gdr h ASP 222 Ca 0.43 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.84 3gdr h ASP 222 Cb 0.53 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 3gdr h ASP 222 CO -0.32 -0.58 0.07 -0.37 -2.88 0.00 0.00 179.24 175.16 3gdr h VAL 223 N -0.96 1.25 -0.42 2.25 -1.51 -1.09 -2.45 116.25 113.33 3gdr h VAL 223 Ca -0.09 -0.98 -0.05 0.00 -1.23 0.00 0.00 66.70 64.34 3gdr h VAL 223 Cb 0.74 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.75 3gdr h VAL 223 CO 0.15 0.35 0.04 0.58 -1.23 0.00 0.00 177.57 177.46 3gdr h VAL 224 N 0.76 1.21 0.00 7.19 2.07 -1.27 -1.67 116.25 124.54 3gdr h VAL 224 Ca 0.16 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3gdr h VAL 224 Cb 0.43 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3gdr h VAL 224 CO 0.01 0.29 -0.35 0.28 0.02 0.00 0.00 177.57 177.83 3gdr h SER 225 N 0.63 0.00 -0.06 0.57 0.02 -1.08 -2.73 113.55 110.90 3gdr h SER 225 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3gdr h SER 225 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3gdr h SER 225 CO 0.01 0.35 0.00 0.35 -1.14 0.00 0.00 176.83 176.39 3gdr n THR 226 N -3.89 0.07 0.00 -2.27 -2.24 -0.81 -4.90 114.28 100.24 3gdr n THR 226 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3gdr n THR 226 Cb 0.41 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3gdr n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdr n GLY 227 N 1.09 1.05 3.74 3.38 0.00 -1.03 -3.37 105.19 110.06 3gdr n GLY 227 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gdr n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdr s SER 228 N -1.35 7.03 -0.11 1.61 0.01 -0.69 -4.68 113.70 115.50 3gdr s SER 228 Ca 0.00 2.29 0.11 0.00 1.31 0.00 0.00 55.95 59.67 3gdr s SER 228 Cb 0.00 -2.61 -0.24 0.00 0.21 0.00 0.00 66.02 63.38 3gdr s SER 228 CO 0.00 -0.41 0.39 0.47 0.41 0.00 0.00 173.24 174.09 3gdr n ASP 229 N 2.45 0.81 -3.95 2.44 8.00 0.10 -4.55 116.55 121.85 3gdr n ASP 229 Ca 0.05 0.23 -0.19 0.00 0.71 0.00 0.00 54.79 55.58 3gdr n ASP 229 Cb 0.44 0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.54 3gdr n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdr s ILE 230 N -2.55 0.59 -0.21 0.53 1.01 -0.63 -4.80 121.20 115.13 3gdr s ILE 230 Ca -0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3gdr s ILE 230 Cb 0.07 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 3gdr s ILE 230 CO 0.81 0.20 0.15 0.27 0.00 0.00 0.00 174.94 176.37 3gdr s ILE 231 N 0.34 5.39 -0.35 2.92 -4.36 -0.43 -0.93 121.20 123.77 3gdr s ILE 231 Ca -0.04 0.22 -0.11 0.00 -0.26 0.00 0.00 60.65 60.45 3gdr s ILE 231 Cb -0.09 -3.49 0.01 0.00 1.25 0.00 0.00 42.46 40.14 3gdr s ILE 231 CO 0.00 0.41 0.20 -0.63 0.24 0.00 0.00 174.94 175.16 3gdr s ILE 232 N 0.53 4.76 -0.10 8.37 1.01 0.48 -0.92 121.20 135.33 3gdr s ILE 232 Ca 0.09 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3gdr s ILE 232 Cb -0.12 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3gdr s ILE 232 CO -0.00 -0.08 -0.20 -0.69 0.00 0.00 0.00 174.94 173.97 3gdr s VAL 233 N 1.62 2.47 0.00 2.92 1.01 -0.59 -3.46 120.40 124.36 3gdr s VAL 233 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3gdr s VAL 233 Cb -0.18 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3gdr s VAL 233 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3gdr n GLY 234 N 3.35 0.58 0.50 4.51 0.00 -1.26 -0.94 105.19 111.93 3gdr n GLY 234 Ca -0.18 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.16 3gdr n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdr h ARG 235 N 0.00 0.14 0.00 1.61 2.47 -1.98 -0.21 114.38 116.41 3gdr h ARG 235 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3gdr h ARG 235 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3gdr h ARG 235 CO 0.00 0.09 0.04 0.41 0.56 0.00 0.00 179.97 181.07 3gdr n GLY 236 N -1.65 -0.64 0.07 0.04 0.00 -1.26 -0.97 105.19 100.79 3gdr n GLY 236 Ca 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 3gdr n GLY 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gdr n LEU 237 N -1.82 0.21 0.00 0.99 4.77 -0.09 -4.82 117.00 116.24 3gdr n LEU 237 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3gdr n LEU 237 Cb 0.05 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3gdr n LEU 237 CO 0.04 0.29 -0.03 2.22 -1.33 0.00 0.00 177.39 178.59 3gdr n PHE 238 N -2.66 0.00 -1.85 -1.77 1.16 -0.73 -3.54 117.46 108.06 3gdr n PHE 238 Ca -0.20 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.08 3gdr n PHE 238 Cb 0.93 0.00 0.17 0.00 -1.61 0.00 0.00 39.48 38.98 3gdr n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdr s ALA 239 N -0.18 2.17 -1.56 1.98 0.00 -0.14 -4.02 121.76 120.01 3gdr s ALA 239 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3gdr s ALA 239 Cb 0.00 -2.83 0.10 0.00 0.00 0.00 0.00 23.12 20.39 3gdr s ALA 239 CO 0.00 -2.39 0.93 1.63 0.00 0.00 0.00 175.76 175.93 3gdr n LYS 240 N -3.76 -4.98 -1.13 0.00 5.02 -1.26 -1.44 118.16 110.60 3gdr n LYS 240 Ca 0.13 0.55 -0.05 0.00 -2.02 0.00 0.00 58.31 56.93 3gdr n LYS 240 Cb 0.60 -5.41 -0.02 0.00 -0.02 0.00 0.00 35.03 30.18 3gdr n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdr n GLY 241 N -1.61 0.64 3.77 0.72 0.00 -1.26 -4.99 105.19 102.46 3gdr n GLY 241 Ca 0.05 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3gdr n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gdr s ARG 242 N -1.83 2.75 -0.47 1.61 0.52 -0.52 -4.99 118.95 116.02 3gdr s ARG 242 Ca 0.00 1.33 -0.18 0.00 -0.52 0.00 0.00 55.73 56.37 3gdr s ARG 242 Cb 0.00 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.57 3gdr s ARG 242 CO 0.00 -1.28 0.51 0.34 0.02 0.00 0.00 175.30 174.89 3gdr s ASP 243 N -2.75 6.20 0.35 0.23 3.68 -1.26 -4.78 116.67 118.33 3gdr s ASP 243 Ca 0.66 -0.95 0.08 0.00 2.13 0.00 0.00 52.55 54.46 3gdr s ASP 243 Cb -0.20 -2.24 0.78 0.00 -1.45 0.00 0.00 42.92 39.81 3gdr s ASP 243 CO 0.44 -0.74 1.88 0.00 0.13 0.00 0.00 175.17 176.88 3gdr h ALA 244 N 8.85 1.78 0.26 3.66 0.00 -1.89 -0.18 119.26 131.74 3gdr h ALA 244 Ca -0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gdr h ALA 244 Cb 1.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gdr h ALA 244 CO 0.89 -0.00 -0.13 -0.22 0.00 0.00 0.00 179.25 179.80 3gdr h LYS 245 N 0.74 -0.34 -0.43 0.00 1.63 -1.87 0.14 116.57 116.44 3gdr h LYS 245 Ca 0.43 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.25 3gdr h LYS 245 Cb 0.62 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 3gdr h LYS 245 CO -0.19 -0.20 0.27 0.28 -3.45 0.00 0.00 179.45 176.16 3gdr h VAL 246 N -0.39 1.13 -0.30 2.00 2.07 -1.76 -2.46 116.25 116.54 3gdr h VAL 246 Ca -0.04 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 3gdr h VAL 246 Cb 0.30 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3gdr h VAL 246 CO 0.06 0.13 -0.19 -0.33 0.02 0.00 0.00 177.57 177.26 3gdr h GLU 247 N 0.58 0.55 -0.72 1.57 4.39 -0.96 -1.06 114.58 118.93 3gdr h GLU 247 Ca 0.16 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3gdr h GLU 247 Cb -0.02 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3gdr h GLU 247 CO -0.03 0.72 0.47 0.78 -1.16 0.00 0.00 179.01 179.79 3gdr h GLY 248 N 0.98 1.01 1.29 -3.84 0.00 -0.36 -0.87 103.07 101.27 3gdr h GLY 248 Ca 0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 3gdr h GLY 248 CO 0.04 0.36 -0.51 -2.09 0.00 0.00 0.00 176.54 174.34 3gdr h GLU 249 N 0.96 0.76 -0.23 4.80 4.57 -1.07 -1.56 114.58 122.81 3gdr h GLU 249 Ca 0.26 -0.46 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3gdr h GLU 249 Cb -0.10 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3gdr h GLU 249 CO -0.06 1.09 0.11 -0.09 -1.18 0.00 0.00 179.01 178.88 3gdr h ARG 250 N 0.59 0.32 -0.23 1.92 2.43 -0.79 -1.17 114.38 117.45 3gdr h ARG 250 Ca 0.02 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3gdr h ARG 250 Cb 1.09 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3gdr h ARG 250 CO 0.11 0.32 -0.48 1.88 -1.51 0.00 0.00 179.97 180.29 3gdr h TYR 251 N 0.24 0.77 -0.13 2.20 -1.99 -1.19 -2.32 116.97 114.55 3gdr h TYR 251 Ca 0.08 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.56 3gdr h TYR 251 Cb 0.10 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3gdr h TYR 251 CO -0.03 0.99 0.08 -0.09 -0.00 0.00 0.00 178.16 179.11 3gdr h ARG 252 N 0.50 0.18 -0.34 4.88 2.43 -1.14 -0.31 114.38 120.58 3gdr h ARG 252 Ca 0.02 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3gdr h ARG 252 Cb 1.03 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 3gdr h ARG 252 CO 0.10 0.14 0.16 -0.22 -1.51 0.00 0.00 179.97 178.63 3gdr h LYS 253 N 0.16 0.32 -0.51 0.20 3.64 -1.17 0.90 116.57 120.11 3gdr h LYS 253 Ca 0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3gdr h LYS 253 Cb 0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3gdr h LYS 253 CO -0.01 0.21 0.30 0.00 -2.27 0.00 0.00 179.45 177.68 3gdr h ALA 254 N 1.18 0.65 -0.35 5.00 0.00 -1.21 -0.35 119.26 124.18 3gdr h ALA 254 Ca 0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3gdr h ALA 254 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gdr h ALA 254 CO -0.11 0.15 -0.13 0.78 0.00 0.00 0.00 179.25 179.94 3gdr h GLY 255 N 0.68 0.76 0.85 0.00 0.00 -0.75 -1.89 103.07 102.71 3gdr h GLY 255 Ca 0.18 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3gdr h GLY 255 CO -0.03 0.60 0.04 -0.25 0.00 0.00 0.00 176.54 176.90 3gdr h TRP 256 N 0.48 0.37 -0.72 5.60 2.91 -0.70 -1.72 115.95 122.17 3gdr h TRP 256 Ca 0.08 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 3gdr h TRP 256 Cb 0.66 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 3gdr h TRP 256 CO 0.06 0.48 0.34 0.93 -1.03 0.00 0.00 178.44 179.21 3gdr h GLU 257 N 0.15 1.03 -0.80 2.65 5.08 -1.08 0.21 114.58 121.83 3gdr h GLU 257 Ca 0.07 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3gdr h GLU 257 Cb 0.31 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3gdr h GLU 257 CO 0.00 0.80 0.40 0.00 -1.00 0.00 0.00 179.01 179.21 3gdr h ALA 258 N 1.35 1.02 -0.55 3.43 0.00 -1.19 -1.81 119.26 121.52 3gdr h ALA 258 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gdr h ALA 258 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gdr h ALA 258 CO -0.03 0.58 0.11 -0.92 0.00 0.00 0.00 179.25 178.98 3gdr h TYR 259 N 1.12 0.95 -0.20 0.00 3.20 -0.44 -2.59 116.97 119.01 3gdr h TYR 259 Ca 0.27 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3gdr h TYR 259 Cb 0.10 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3gdr h TYR 259 CO 0.01 0.84 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.21 3gdr h LEU 260 N 0.80 0.30 -0.20 2.82 3.38 -0.64 -3.10 115.31 118.66 3gdr h LEU 260 Ca 0.17 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3gdr h LEU 260 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3gdr h LEU 260 CO 0.01 0.43 -0.39 0.03 0.09 0.00 0.00 178.44 178.61 3gdr h ARG 261 N 0.30 0.62 -6.96 1.13 3.08 -1.02 -3.45 114.38 108.08 3gdr h ARG 261 Ca 0.06 -0.40 -0.54 0.00 0.07 0.00 0.00 59.98 59.18 3gdr h ARG 261 Cb 0.36 0.05 0.11 0.00 0.08 0.00 0.00 29.97 30.56 3gdr h ARG 261 CO 0.02 1.01 0.70 -0.98 -1.07 0.00 0.00 179.97 179.65 3gdr s ARG 262 N -4.07 3.88 0.13 0.04 1.70 -1.01 -4.92 118.95 114.71 3gdr s ARG 262 Ca -0.12 2.38 -0.31 0.00 -0.47 0.00 0.00 55.73 57.21 3gdr s ARG 262 Cb 0.07 -2.77 -0.09 0.00 -0.57 0.00 0.00 34.95 31.59 3gdr s ARG 262 CO 0.83 -0.64 1.50 0.00 -1.08 0.00 0.00 175.30 175.91 3gdr s GLY 264 N 1.26 1.54 -0.25 0.00 0.00 -1.26 -4.06 107.32 104.55 3gdr s GLY 264 Ca 0.68 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 3gdr s GLY 264 CO 0.31 -0.97 1.48 1.62 0.00 0.00 0.00 173.10 175.53 3gdr s GLN 265 N -4.46 3.86 0.00 2.90 2.00 0.57 -4.76 119.66 119.77 3gdr s GLN 265 Ca 0.47 1.49 0.21 0.00 -2.00 0.00 0.00 55.36 55.53 3gdr s GLN 265 Cb -0.10 -3.96 0.17 0.00 0.80 0.00 0.00 33.01 29.91 3gdr s GLN 265 CO 0.36 -1.21 1.17 1.04 -0.50 0.00 0.00 175.29 176.16