#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 2.04 0.89 7.82 0.00 -1.26 -0.79 121.76 130.47 3gdr s ALA 4 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 3gdr s ALA 4 Cb 0.00 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 20.15 3gdr s ALA 4 CO 0.00 -1.95 1.10 0.95 0.00 0.00 0.00 175.76 175.86 3gdr s THR 5 N -3.17 2.55 0.22 0.00 -4.23 -1.26 -4.77 115.64 104.99 3gdr s THR 5 Ca 0.62 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.22 3gdr s THR 5 Cb -0.15 -2.77 0.19 0.00 1.34 0.00 0.00 72.50 71.12 3gdr s THR 5 CO 0.54 -0.23 1.87 1.88 -0.54 0.00 0.00 174.62 178.14 3gdr h TYR 6 N -1.50 1.12 -0.67 3.99 0.05 -1.95 -0.73 116.97 117.27 3gdr h TYR 6 Ca -0.50 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.29 3gdr h TYR 6 Cb 1.30 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 3gdr h TYR 6 CO 0.39 0.74 0.44 -0.22 -1.05 0.00 0.00 178.16 178.46 3gdr h LYS 7 N 1.17 0.87 -0.47 4.88 3.64 -1.92 -1.16 116.57 123.59 3gdr h LYS 7 Ca 0.31 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3gdr h LYS 7 Cb -0.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 3gdr h LYS 7 CO -0.06 0.58 -0.09 0.93 -2.27 0.00 0.00 179.45 178.54 3gdr h GLU 8 N 0.90 0.88 -0.14 1.90 5.08 -1.79 -2.90 114.58 118.51 3gdr h GLU 8 Ca 0.25 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3gdr h GLU 8 Cb -0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3gdr h GLU 8 CO -0.06 0.97 -0.18 0.00 -1.00 0.00 0.00 179.01 178.73 3gdr h ARG 9 N 0.73 0.23 -0.30 2.33 3.08 -0.86 -2.31 114.38 117.28 3gdr h ARG 9 Ca 0.12 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 3gdr h ARG 9 Cb 0.63 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3gdr h ARG 9 CO 0.04 0.41 -0.07 0.00 -1.07 0.00 0.00 179.97 179.28 3gdr h ALA 10 N 1.61 1.33 0.00 0.04 0.00 -1.02 0.46 119.26 121.67 3gdr h ALA 10 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3gdr h ALA 10 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gdr h ALA 10 CO 0.03 0.46 -0.27 0.00 0.00 0.00 0.00 179.25 179.46 3gdr h ALA 11 N 1.48 0.87 0.00 0.00 0.00 -1.30 -3.36 119.26 116.94 3gdr h ALA 11 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gdr h ALA 11 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gdr h ALA 11 CO 0.02 0.34 -1.37 0.25 0.00 0.00 0.00 179.25 178.49 3gdr n THR 12 N -3.23 0.00 -1.74 0.00 -2.24 -1.06 -5.04 114.28 100.97 3gdr n THR 12 Ca 0.02 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3gdr n THR 12 Cb 0.58 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.79 2.80 0.30 4.78 -0.00 0.13 -4.90 115.22 116.53 3gdr n HIS 13 Ca -0.01 0.23 0.16 0.00 0.46 0.00 0.00 57.72 58.55 3gdr n HIS 13 Cb 0.26 -2.60 0.59 0.00 -0.12 0.00 0.00 29.99 28.12 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 5.09 0.00 -4.99 1.57 0.13 -1.90 -3.43 132.00 128.47 3gdr h PRO 14 Ca -0.46 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.03 3gdr h PRO 14 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 3gdr h PRO 14 CO 0.82 0.00 -0.42 0.45 -0.23 0.00 0.00 178.00 178.62 3gdr s SER 15 N -5.49 6.10 0.38 1.44 0.15 -1.26 -4.82 113.70 110.21 3gdr s SER 15 Ca 0.03 0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.85 3gdr s SER 15 Cb 0.09 -2.15 0.84 0.00 -1.71 0.00 0.00 66.02 63.09 3gdr s SER 15 CO 0.54 -0.11 1.94 -0.65 1.20 0.00 0.00 173.24 176.16 3gdr h PRO 16 N 8.31 0.62 -0.38 5.44 0.11 -1.84 -0.46 132.00 143.80 3gdr h PRO 16 Ca -0.34 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 3gdr h PRO 16 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gdr h PRO 16 CO 0.59 0.41 -0.38 0.28 -0.21 0.00 0.00 178.00 178.69 3gdr h VAL 17 N 0.64 1.27 -0.11 3.15 2.07 -1.88 -0.82 116.25 120.58 3gdr h VAL 17 Ca 0.35 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3gdr h VAL 17 Cb 0.48 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3gdr h VAL 17 CO -0.12 0.52 0.03 0.00 0.02 0.00 0.00 177.57 178.02 3gdr h ALA 18 N 0.80 0.14 -0.90 1.67 0.00 -1.73 -0.36 119.26 118.89 3gdr h ALA 18 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3gdr h ALA 18 Cb 0.97 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3gdr h ALA 18 CO 0.09 -0.24 0.55 0.00 0.00 0.00 0.00 179.25 179.66 3gdr h ALA 19 N 0.84 1.26 -0.40 0.00 0.00 -1.02 0.52 119.26 120.47 3gdr h ALA 19 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gdr h ALA 19 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gdr h ALA 19 CO -0.00 0.27 0.13 -0.22 0.00 0.00 0.00 179.25 179.43 3gdr h LYS 20 N 0.98 0.61 -0.12 0.00 3.64 -0.84 -1.73 116.57 119.11 3gdr h LYS 20 Ca 0.41 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3gdr h LYS 20 Cb 0.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3gdr h LYS 20 CO -0.20 0.60 0.06 1.25 -2.27 0.00 0.00 179.45 178.89 3gdr h LEU 21 N 0.49 0.16 -1.06 5.20 5.85 -0.16 -2.20 115.31 123.60 3gdr h LEU 21 Ca 0.13 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3gdr h LEU 21 Cb 0.24 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3gdr h LEU 21 CO -0.01 0.25 0.63 -0.26 -0.34 0.00 0.00 178.44 178.71 3gdr h PHE 22 N 0.06 1.12 -0.54 1.25 0.04 -0.81 -1.16 116.94 116.91 3gdr h PHE 22 Ca 0.04 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 3gdr h PHE 22 Cb 0.13 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 3gdr h PHE 22 CO -0.03 0.53 0.03 -0.97 -0.60 0.00 0.00 178.31 177.27 3gdr h ASN 23 N 1.05 0.91 -0.53 2.17 -0.73 -1.09 -1.46 115.58 115.89 3gdr h ASN 23 Ca 0.45 -0.29 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 3gdr h ASN 23 Cb 0.32 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 3gdr h ASN 23 CO -0.20 0.98 0.29 0.40 -0.37 0.00 0.00 177.43 178.52 3gdr h ILE 24 N 0.82 1.18 -0.61 2.57 2.04 -0.71 -0.07 117.51 122.73 3gdr h ILE 24 Ca 0.16 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3gdr h ILE 24 Cb 0.49 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3gdr h ILE 24 CO 0.02 0.20 0.40 0.24 0.00 0.00 0.00 178.15 179.01 3gdr h MET 25 N 0.71 0.80 -0.05 2.37 2.86 -1.03 -0.48 114.93 120.12 3gdr h MET 25 Ca 0.19 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3gdr h MET 25 Cb 0.06 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 3gdr h MET 25 CO -0.03 0.53 0.01 1.25 1.06 0.00 0.00 176.91 179.72 3gdr h HIS 26 N 0.82 0.09 -0.64 -0.22 -0.00 -0.95 -0.59 115.15 113.67 3gdr h HIS 26 Ca 0.23 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.54 3gdr h HIS 26 Cb -0.08 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 3gdr h HIS 26 CO -0.03 0.33 0.23 0.93 -0.00 0.00 0.00 177.93 179.38 3gdr h GLU 27 N -0.18 0.97 -0.02 5.26 5.08 -0.84 -3.07 114.58 121.78 3gdr h GLU 27 Ca 0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3gdr h GLU 27 Cb 0.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gdr h GLU 27 CO 0.00 0.84 -0.06 1.63 -1.00 0.00 0.00 179.01 180.42 3gdr n LYS 28 N -4.39 1.70 -3.67 2.33 5.02 -0.20 -4.97 118.16 113.97 3gdr n LYS 28 Ca 0.04 -1.15 -0.28 0.00 -2.02 0.00 0.00 58.31 54.90 3gdr n LYS 28 Cb 0.19 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.35 -2.01 -3.71 1.97 6.02 -0.28 -4.99 117.38 114.73 3gdr n GLN 29 Ca 0.16 0.51 -0.14 0.00 -0.01 0.00 0.00 57.00 57.53 3gdr n GLN 29 Cb 0.42 -4.47 -0.09 0.00 1.02 0.00 0.00 30.24 27.12 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 -3.54 0.01 -0.10 5.09 -1.32 -0.89 -4.82 115.64 110.06 3gdr s THR 30 Ca 0.36 -0.07 0.15 0.00 -1.21 0.00 0.00 61.69 60.93 3gdr s THR 30 Cb -0.12 -0.66 0.34 0.00 -1.51 0.00 0.00 72.50 70.55 3gdr s THR 30 CO 0.85 -0.04 1.16 -0.46 -2.21 0.00 0.00 174.62 173.92 3gdr n ASN 31 N 2.48 1.38 -4.67 8.08 0.23 -1.26 -4.33 115.26 117.16 3gdr n ASN 31 Ca -0.15 -2.92 -0.39 0.00 -0.53 0.00 0.00 54.58 50.59 3gdr n ASN 31 Cb 0.57 -0.40 -0.07 0.00 -2.08 0.00 0.00 39.78 37.80 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 -1.76 4.17 -0.17 -4.53 2.96 -1.26 -1.40 118.68 116.69 3gdr s LEU 32 Ca 0.30 0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 54.86 3gdr s LEU 32 Cb 0.30 -2.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 3gdr s LEU 32 CO -0.07 -0.14 -0.08 0.00 -1.32 0.00 0.00 176.35 174.75 3gdr s ALA 34 N 0.76 3.58 -0.46 0.00 0.00 -0.40 -1.69 121.76 123.55 3gdr s ALA 34 Ca -0.03 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 3gdr s ALA 34 Cb -0.15 -2.49 0.08 0.00 0.00 0.00 0.00 23.12 20.56 3gdr s ALA 34 CO 0.02 -0.34 0.35 0.45 0.00 0.00 0.00 175.76 176.24 3gdr s SER 35 N 1.23 5.95 -0.54 0.00 0.15 -0.37 -0.42 113.70 119.70 3gdr s SER 35 Ca 0.12 -1.46 -0.06 0.00 0.70 0.00 0.00 55.95 55.25 3gdr s SER 35 Cb -0.15 -2.11 0.14 0.00 -1.71 0.00 0.00 66.02 62.20 3gdr s SER 35 CO 0.07 -0.63 0.38 -0.76 1.20 0.00 0.00 173.24 173.51 3gdr s LEU 36 N 1.55 5.57 -1.11 3.45 1.43 -0.89 -4.35 118.68 124.33 3gdr s LEU 36 Ca 0.04 -2.29 -0.06 0.00 -1.03 0.00 0.00 54.13 50.78 3gdr s LEU 36 Cb -0.24 -1.94 0.28 0.00 0.03 0.00 0.00 46.19 44.32 3gdr s LEU 36 CO 0.04 -0.55 1.40 -0.90 0.23 0.00 0.00 176.35 176.57 3gdr n ASP 37 N 4.33 6.01 -4.95 2.29 5.75 -1.26 -4.23 116.55 124.49 3gdr n ASP 37 Ca 0.00 -3.26 -0.19 0.00 -0.01 0.00 0.00 54.79 51.33 3gdr n ASP 37 Cb 0.41 -1.33 -0.01 0.00 -1.03 0.00 0.00 41.12 39.15 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 -1.92 3.52 0.04 2.12 -7.23 -1.26 -5.06 120.40 110.61 3gdr s VAL 38 Ca 0.32 -1.13 0.09 0.00 -1.81 0.00 0.00 61.98 59.46 3gdr s VAL 38 Cb 0.00 -3.21 -0.22 0.00 0.56 0.00 0.00 36.38 33.51 3gdr s VAL 38 CO 0.04 -0.11 0.97 -0.09 -0.31 0.00 0.00 175.10 175.60 3gdr h ARG 39 N 0.93 0.01 -6.62 4.82 2.43 -1.95 -3.38 114.38 110.62 3gdr h ARG 39 Ca -0.44 -0.02 -0.65 0.00 -0.81 0.00 0.00 59.98 58.07 3gdr h ARG 39 Cb 1.26 0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 30.62 3gdr h ARG 39 CO 0.53 0.77 -0.84 0.95 -1.51 0.00 0.00 179.97 179.87 3gdr s THR 40 N -2.65 2.20 0.29 0.20 -4.23 -1.26 -0.63 115.64 109.56 3gdr s THR 40 Ca -0.02 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 3gdr s THR 40 Cb 0.09 -1.99 0.21 0.00 1.34 0.00 0.00 72.50 72.14 3gdr s THR 40 CO 0.82 -0.05 1.89 0.74 -0.54 0.00 0.00 174.62 177.49 3gdr h THR 41 N 3.56 1.22 -0.33 3.99 2.02 -1.92 -2.19 112.91 119.26 3gdr h THR 41 Ca -0.48 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.12 3gdr h THR 41 Cb 1.19 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3gdr h THR 41 CO 0.44 0.26 0.16 0.50 0.37 0.00 0.00 175.52 177.24 3gdr h LYS 42 N 0.97 0.32 -0.49 6.66 3.64 -1.95 0.34 116.57 126.05 3gdr h LYS 42 Ca 0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3gdr h LYS 42 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3gdr h LYS 42 CO -0.03 0.21 0.25 0.93 -2.27 0.00 0.00 179.45 178.54 3gdr h GLU 43 N 0.33 0.71 0.05 1.90 5.08 -1.91 -2.19 114.58 118.55 3gdr h GLU 43 Ca 0.14 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3gdr h GLU 43 Cb 0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3gdr h GLU 43 CO -0.10 0.58 -0.09 1.25 -1.00 0.00 0.00 179.01 179.65 3gdr h LEU 44 N 0.66 -0.24 -0.93 1.33 5.85 -0.83 -1.77 115.31 119.38 3gdr h LEU 44 Ca 0.17 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3gdr h LEU 44 Cb 0.10 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3gdr h LEU 44 CO -0.02 -0.13 0.46 -0.07 -0.34 0.00 0.00 178.44 178.34 3gdr h LEU 45 N -0.17 1.10 -0.64 2.25 3.38 -0.87 -0.74 115.31 119.62 3gdr h LEU 45 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3gdr h LEU 45 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3gdr h LEU 45 CO -0.06 0.89 0.35 -0.33 0.09 0.00 0.00 178.44 179.39 3gdr h GLU 46 N 1.22 0.90 -0.33 1.13 5.08 -1.16 -0.83 114.58 120.59 3gdr h GLU 46 Ca 0.31 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3gdr h GLU 46 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3gdr h GLU 46 CO -0.05 0.68 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.17 3gdr h LEU 47 N 0.88 0.84 -1.06 1.33 3.38 -0.93 -2.76 115.31 116.98 3gdr h LEU 47 Ca 0.23 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3gdr h LEU 47 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3gdr h LEU 47 CO -0.04 1.13 -0.22 0.58 0.09 0.00 0.00 178.44 179.99 3gdr h VAL 48 N 0.65 1.25 -0.36 1.22 2.07 -0.88 -0.21 116.25 119.98 3gdr h VAL 48 Ca 0.05 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3gdr h VAL 48 Cb 0.96 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3gdr h VAL 48 CO 0.09 0.36 0.16 -0.08 0.02 0.00 0.00 177.57 178.12 3gdr h GLU 49 N 0.36 0.53 -0.09 1.57 4.57 -1.03 0.22 114.58 120.71 3gdr h GLU 49 Ca 0.06 -0.09 -0.18 0.00 -1.18 0.00 0.00 59.36 57.97 3gdr h GLU 49 Cb 0.59 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3gdr h GLU 49 CO 0.04 0.50 -0.69 0.00 -1.18 0.00 0.00 179.01 177.68 3gdr h ALA 50 N 1.01 0.64 0.00 2.92 0.00 -1.19 -3.32 119.26 119.32 3gdr h ALA 50 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gdr h ALA 50 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gdr h ALA 50 CO -0.01 0.75 -1.06 1.28 0.00 0.00 0.00 179.25 180.21 3gdr n LEU 51 N -3.86 0.76 -0.31 0.00 4.77 -0.12 -4.48 117.00 113.77 3gdr n LEU 51 Ca -0.04 0.28 0.02 0.00 -0.03 0.00 0.00 56.01 56.23 3gdr n LEU 51 Cb 0.68 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.79 3gdr n LEU 51 CO 0.47 -0.15 0.66 1.23 -1.33 0.00 0.00 177.39 178.27 3gdr h GLY 52 N 4.07 0.42 2.00 -0.72 0.00 -0.65 -0.03 103.07 108.16 3gdr h GLY 52 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3gdr h GLY 52 CO 0.00 -0.29 -0.04 -2.55 0.00 0.00 0.00 176.54 173.66 3gdr h PRO 53 N -0.02 0.00 -0.02 4.80 0.11 -1.82 -3.11 132.00 131.93 3gdr h PRO 53 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 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 -0.88 0.04 -0.26 1.63 -0.21 0.00 0.00 178.00 178.32 3gdr n LYS 54 N -3.69 1.70 -4.43 1.05 4.76 -0.05 -5.00 118.16 112.51 3gdr n LYS 54 Ca -0.03 -1.40 -0.24 0.00 -2.87 0.00 0.00 58.31 53.77 3gdr n LYS 54 Cb 0.14 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.23 2.64 -0.05 -0.18 -4.36 -1.09 -4.60 121.20 111.34 3gdr s ILE 55 Ca 0.22 -2.27 0.14 0.00 -0.26 0.00 0.00 60.65 58.49 3gdr s ILE 55 Cb 0.19 -2.38 -0.22 0.00 1.25 0.00 0.00 42.46 41.30 3gdr s ILE 55 CO 0.44 -0.36 0.33 0.00 0.24 0.00 0.00 174.94 175.59 3gdr s LEU 57 N -3.94 0.47 -0.16 0.00 2.96 -1.21 -1.85 118.68 114.95 3gdr s LEU 57 Ca -0.05 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 3gdr s LEU 57 Cb 0.09 1.40 0.00 0.00 0.50 0.00 0.00 46.19 48.18 3gdr s LEU 57 CO 0.59 -0.18 -0.15 -0.22 -1.32 0.00 0.00 176.35 175.07 3gdr s LEU 58 N 0.04 2.45 -0.37 -0.68 2.96 -0.44 -1.28 118.68 121.37 3gdr s LEU 58 Ca -0.01 -0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 53.27 3gdr s LEU 58 Cb -0.03 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.10 3gdr s LEU 58 CO 0.01 0.07 0.28 -0.75 -1.32 0.00 0.00 176.35 174.64 3gdr s LYS 59 N 0.91 3.31 0.37 1.98 2.20 0.45 -0.59 119.74 128.36 3gdr s LYS 59 Ca -0.03 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 3gdr s LYS 59 Cb -0.15 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 3gdr s LYS 59 CO -0.02 -0.57 0.60 0.95 -0.36 0.00 0.00 175.35 175.95 3gdr s THR 60 N 1.76 5.05 -0.45 3.43 -4.23 0.12 -2.09 115.64 119.23 3gdr s THR 60 Ca 0.07 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.38 3gdr s THR 60 Cb -0.18 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.03 3gdr s THR 60 CO 0.11 -0.59 0.48 1.41 -0.54 0.00 0.00 174.62 175.48 3gdr n HIS 61 N -1.78 0.16 0.29 3.99 -0.00 -1.26 -0.32 115.22 116.30 3gdr n HIS 61 Ca -0.03 -3.60 0.16 0.00 -0.00 0.00 0.00 57.72 54.25 3gdr n HIS 61 Cb 0.56 -0.18 0.84 0.00 -0.00 0.00 0.00 29.99 31.21 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 3.24 0.31 0.00 1.59 -1.51 -1.96 -2.85 116.25 115.07 3gdr h VAL 62 Ca 0.16 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3gdr h VAL 62 Cb 0.86 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3gdr h VAL 62 CO 0.49 0.06 0.00 0.47 -1.23 0.00 0.00 177.57 177.36 3gdr n ASP 63 N -3.40 0.69 -0.57 4.19 8.00 -1.26 -2.50 116.55 121.70 3gdr n ASP 63 Ca -0.02 0.68 0.07 0.00 0.71 0.00 0.00 54.79 56.24 3gdr n ASP 63 Cb 0.21 -0.83 0.06 0.00 -0.02 0.00 0.00 41.12 40.54 3gdr n ASP 63 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3gdr n ILE 64 N -2.28 0.00 -2.48 0.53 -5.35 -1.08 -4.96 119.36 103.75 3gdr n ILE 64 Ca 0.02 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.59 3gdr n ILE 64 Cb 0.21 1.30 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 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 -1.18 4.54 0.09 7.28 1.43 -1.04 -4.55 118.68 125.25 3gdr s LEU 65 Ca 0.17 2.25 0.23 0.00 -1.03 0.00 0.00 54.13 55.75 3gdr s LEU 65 Cb 0.12 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.83 3gdr s LEU 65 CO 0.18 -0.16 1.10 0.35 0.23 0.00 0.00 176.35 178.05 3gdr n THR 66 N 1.34 0.28 -2.52 5.49 -2.24 0.20 -4.40 114.28 112.44 3gdr n THR 66 Ca -0.01 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3gdr n THR 66 Cb 0.45 0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 3gdr n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gdr n ASP 67 N -2.12 2.95 -4.76 3.42 5.68 -1.26 -5.09 116.55 115.36 3gdr n ASP 67 Ca 0.02 -2.90 -0.41 0.00 -0.50 0.00 0.00 54.79 51.00 3gdr n ASP 67 Cb 0.46 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.97 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 -3.56 3.11 -0.12 2.11 5.36 -1.26 -4.74 117.98 118.87 3gdr s PHE 68 Ca 0.37 1.34 -0.25 0.00 -0.96 0.00 0.00 56.93 57.43 3gdr s PHE 68 Cb 0.39 -3.66 0.06 0.00 -0.34 0.00 0.00 43.02 39.46 3gdr s PHE 68 CO -0.03 -1.90 0.61 -1.54 -1.46 0.00 0.00 175.22 170.90 3gdr s SER 69 N -0.24 -0.59 0.24 6.13 1.04 -1.26 -4.97 113.70 114.03 3gdr s SER 69 Ca 0.51 0.86 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 3gdr s SER 69 Cb -0.39 0.82 0.23 0.00 0.10 0.00 0.00 66.02 66.78 3gdr s SER 69 CO 0.48 -0.42 1.86 -0.03 0.98 0.00 0.00 173.24 176.11 3gdr h MET 70 N 4.02 1.25 0.18 4.02 4.05 -1.95 0.22 114.93 126.71 3gdr h MET 70 Ca -0.28 -0.14 -0.31 0.00 -0.28 0.00 0.00 59.70 58.69 3gdr h MET 70 Cb 1.16 -0.25 0.02 0.00 -0.80 0.00 0.00 31.60 31.73 3gdr h MET 70 CO 0.27 0.91 -1.43 1.49 0.23 0.00 0.00 176.91 178.38 3gdr h GLU 71 N 1.25 0.38 0.00 0.39 4.57 -1.96 -1.73 114.58 117.48 3gdr h GLU 71 Ca 0.32 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 3gdr h GLU 71 Cb 0.02 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3gdr h GLU 71 CO -0.05 1.29 -1.33 0.41 -1.18 0.00 0.00 179.01 178.15 3gdr n GLY 72 N 1.66 -1.31 0.62 1.92 0.00 -1.18 -4.34 105.19 102.56 3gdr n GLY 72 Ca -0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.55 1.01 -0.10 2.61 -1.04 0.75 -4.66 114.28 110.29 3gdr n THR 73 Ca -0.02 0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 62.18 3gdr n THR 73 Cb 0.57 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.32 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 -0.32 1.12 0.43 12.58 2.07 -1.49 -2.14 116.25 128.50 3gdr h VAL 74 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3gdr h VAL 74 Cb 0.32 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3gdr h VAL 74 CO 0.00 0.12 -0.31 0.50 0.02 0.00 0.00 177.57 177.90 3gdr h LYS 75 N 0.41 -0.70 0.00 1.57 3.64 -1.50 0.13 116.57 120.12 3gdr h LYS 75 Ca 0.12 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3gdr h LYS 75 Cb 0.04 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3gdr h LYS 75 CO -0.02 -0.47 -0.06 -1.00 -2.27 0.00 0.00 179.45 175.63 3gdr h PRO 76 N -0.73 0.00 -0.18 1.90 0.13 -1.77 -1.92 132.00 129.43 3gdr h PRO 76 Ca -0.04 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.90 3gdr h PRO 76 Cb 0.62 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.76 3gdr h PRO 76 CO 0.01 0.06 -0.63 1.25 -0.23 0.00 0.00 178.00 178.46 3gdr h LEU 77 N 0.00 0.86 -1.11 1.56 5.85 -0.68 -2.08 115.31 119.72 3gdr h LEU 77 Ca -0.00 -0.60 -0.07 0.00 0.84 0.00 0.00 57.88 58.05 3gdr h LEU 77 Cb 0.33 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3gdr h LEU 77 CO 0.01 1.32 -0.09 0.11 -0.34 0.00 0.00 178.44 179.45 3gdr h LYS 78 N 0.45 0.53 -0.44 1.25 1.79 -0.14 -0.70 116.57 119.31 3gdr h LYS 78 Ca -0.03 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.25 3gdr h LYS 78 Cb 1.26 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 3gdr h LYS 78 CO 0.13 0.62 0.08 0.00 -1.08 0.00 0.00 179.45 179.21 3gdr h ALA 79 N 1.42 0.59 -0.63 3.86 0.00 -1.26 -1.05 119.26 122.19 3gdr h ALA 79 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3gdr h ALA 79 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3gdr h ALA 79 CO 0.02 0.29 0.19 -0.07 0.00 0.00 0.00 179.25 179.68 3gdr h LEU 80 N 0.59 0.93 -1.06 0.00 3.38 -1.01 0.15 115.31 118.30 3gdr h LEU 80 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gdr h LEU 80 Cb 0.36 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3gdr h LEU 80 CO 0.01 0.90 0.46 -1.28 0.09 0.00 0.00 178.44 178.61 3gdr h SER 81 N 0.92 0.99 -0.16 -0.43 0.87 -0.92 -0.75 113.55 114.07 3gdr h SER 81 Ca 0.20 -0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 3gdr h SER 81 Cb 0.31 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3gdr h SER 81 CO -0.00 0.78 -0.55 0.00 -0.53 0.00 0.00 176.83 176.53 3gdr h ALA 82 N 1.38 0.28 -0.17 6.23 0.00 -0.69 -0.88 119.26 125.40 3gdr h ALA 82 Ca 0.29 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gdr h ALA 82 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gdr h ALA 82 CO -0.05 0.49 0.04 -0.22 0.00 0.00 0.00 179.25 179.51 3gdr h LYS 83 N 0.32 0.28 -0.02 0.00 3.64 -0.40 -3.26 116.57 117.13 3gdr h LYS 83 Ca -0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3gdr h LYS 83 Cb 1.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3gdr h LYS 83 CO 0.12 0.44 -0.19 0.66 -2.27 0.00 0.00 179.45 178.20 3gdr n TYR 84 N -4.79 0.00 -2.98 1.91 4.01 -0.32 -5.03 117.16 109.96 3gdr n TYR 84 Ca -0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.64 3gdr n TYR 84 Cb 0.17 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.61 -7.77 -3.78 7.72 5.15 -0.37 -4.65 115.26 112.17 3gdr n ASN 85 Ca 0.13 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 54.21 3gdr n ASN 85 Cb 0.51 -5.20 -0.07 0.00 -0.53 0.00 0.00 39.78 34.50 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 -2.78 0.01 0.42 1.20 -0.12 -0.99 -4.82 117.98 110.90 3gdr s PHE 86 Ca 0.13 -0.33 0.05 0.00 -0.05 0.00 0.00 56.93 56.72 3gdr s PHE 86 Cb -0.03 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 3gdr s PHE 86 CO 0.77 -0.56 0.59 -0.51 -0.05 0.00 0.00 175.22 175.46 3gdr s LEU 87 N -2.61 3.70 -0.14 -1.99 1.43 -0.77 -4.71 118.68 113.60 3gdr s LEU 87 Ca 0.01 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3gdr s LEU 87 Cb 0.02 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 3gdr s LEU 87 CO -0.09 -0.70 -0.07 -0.76 0.23 0.00 0.00 176.35 174.96 3gdr s LEU 88 N -4.40 3.08 -0.23 1.79 1.43 -1.26 -1.33 118.68 117.76 3gdr s LEU 88 Ca 0.51 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3gdr s LEU 88 Cb -0.10 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.47 3gdr s LEU 88 CO 0.34 0.19 -0.01 0.12 0.23 0.00 0.00 176.35 177.22 3gdr s PHE 89 N 0.20 1.94 0.10 0.29 5.36 0.24 -1.22 117.98 124.88 3gdr s PHE 89 Ca -0.04 -1.49 -0.23 0.00 -0.96 0.00 0.00 56.93 54.21 3gdr s PHE 89 Cb -0.14 -1.43 -0.07 0.00 -0.34 0.00 0.00 43.02 41.04 3gdr s PHE 89 CO 0.04 -0.73 0.71 -2.00 -1.46 0.00 0.00 175.22 171.78 3gdr s GLU 90 N 1.55 4.45 0.20 10.12 2.56 -1.02 -0.70 118.70 135.85 3gdr s GLU 90 Ca -0.03 1.00 -0.11 0.00 0.00 0.00 0.00 54.97 55.83 3gdr s GLU 90 Cb -0.18 -3.29 0.14 0.00 2.00 0.00 0.00 34.13 32.80 3gdr s GLU 90 CO -0.08 0.48 1.87 -0.97 -0.56 0.00 0.00 175.26 176.01 3gdr h ASN 91 N 4.88 0.81 -0.19 -1.70 -1.24 -1.03 -3.39 115.58 113.71 3gdr h ASN 91 Ca -0.47 -0.02 -0.46 0.00 0.71 0.00 0.00 56.30 56.07 3gdr h ASN 91 Cb 1.21 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 3gdr h ASN 91 CO 0.67 0.58 0.62 -1.14 -1.29 0.00 0.00 177.43 176.88 3gdr n ARG 92 N -4.60 0.00 -2.88 6.67 0.63 -1.26 -4.81 116.66 110.41 3gdr n ARG 92 Ca 0.06 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.56 3gdr n ARG 92 Cb 0.02 -0.85 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 3gdr n ARG 92 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3gdr s LYS 93 N 2.80 3.63 0.31 -0.14 1.02 -1.26 -4.34 119.74 121.75 3gdr s LYS 93 Ca 0.65 -1.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.61 3gdr s LYS 93 Cb -0.85 -4.98 -0.12 0.00 -0.52 0.00 0.00 37.83 31.36 3gdr s LYS 93 CO 0.40 -1.82 1.47 1.19 -0.92 0.00 0.00 175.35 175.67 3gdr n PHE 94 N 6.77 2.63 -2.69 3.18 3.72 -1.11 -4.75 117.46 125.21 3gdr n PHE 94 Ca 0.26 0.39 -0.07 0.00 -0.05 0.00 0.00 57.45 57.98 3gdr n PHE 94 Cb 0.49 -2.52 0.08 0.00 -0.94 0.00 0.00 39.48 36.59 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 1.37 2.34 -3.93 4.37 0.00 -1.26 -1.32 120.51 122.08 3gdr n ALA 95 Ca 0.07 -2.10 -0.10 0.00 0.00 0.00 0.00 53.44 51.31 3gdr n ALA 95 Cb 0.36 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.47 -1.50 -2.84 0.00 -0.08 -1.26 -4.91 116.55 105.49 3gdr n ASP 96 Ca 0.01 -2.73 -0.15 0.00 -1.51 0.00 0.00 54.79 50.41 3gdr n ASP 96 Cb 0.84 2.70 -0.04 0.00 2.34 0.00 0.00 41.12 46.95 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 -0.54 0.00 -5.00 5.18 -5.35 -1.26 -4.46 119.36 107.93 3gdr n ILE 97 Ca -0.01 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 3gdr n ILE 97 Cb 0.56 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.30 0.52 0.34 3.28 0.00 -1.26 -2.84 105.19 105.53 3gdr n GLY 98 Ca -0.02 -0.87 0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 0.07 0.24 1.61 4.21 -1.98 -2.06 115.58 117.67 3gdr h ASN 99 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 3gdr h ASN 99 Cb 0.00 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3gdr h ASN 99 CO 0.00 0.04 -0.15 0.74 -1.29 0.00 0.00 177.43 176.77 3gdr h THR 100 N 0.08 0.68 -0.27 2.81 2.02 -1.98 0.53 112.91 116.76 3gdr h THR 100 Ca 0.18 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.25 3gdr h THR 100 Cb 0.62 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3gdr h THR 100 CO -0.02 0.00 -0.28 1.62 0.37 0.00 0.00 175.52 177.21 3gdr h VAL 101 N -0.38 1.28 -0.52 3.16 3.04 -1.28 -0.63 116.25 120.91 3gdr h VAL 101 Ca -0.02 -1.36 -0.01 0.00 -1.01 0.00 0.00 66.70 64.30 3gdr h VAL 101 Cb 0.32 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 3gdr h VAL 101 CO 0.02 0.43 0.29 0.11 -1.01 0.00 0.00 177.57 177.42 3gdr h LYS 102 N 0.47 0.72 -0.01 4.17 1.57 -1.14 -1.92 116.57 120.44 3gdr h LYS 102 Ca 0.06 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3gdr h LYS 102 Cb 0.74 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3gdr h LYS 102 CO 0.06 0.55 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.76 3gdr h LEU 103 N 0.69 0.03 -1.32 2.94 3.38 -0.68 0.85 115.31 121.21 3gdr h LEU 103 Ca 0.18 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3gdr h LEU 103 Cb 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3gdr h LEU 103 CO -0.03 0.68 -0.33 1.56 0.09 0.00 0.00 178.44 180.40 3gdr h GLN 104 N 0.02 0.00 0.13 1.13 4.20 -0.78 0.20 115.11 120.00 3gdr h GLN 104 Ca -0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 3gdr h GLN 104 Cb 1.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3gdr h GLN 104 CO 0.09 0.33 -1.93 -0.92 -0.67 0.00 0.00 178.83 175.73 3gdr h TYR 105 N 0.00 0.48 0.00 2.96 3.20 -1.14 -3.42 116.97 119.05 3gdr h TYR 105 Ca -0.00 -0.35 -0.26 0.00 3.14 0.00 0.00 58.73 61.26 3gdr h TYR 105 Cb 0.64 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 3gdr h TYR 105 CO 0.00 1.71 -2.10 -1.13 -1.64 0.00 0.00 178.16 175.00 3gdr n SER 106 N -3.47 0.20 0.00 -2.11 3.41 0.27 -0.20 113.62 111.73 3gdr n SER 106 Ca -0.29 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3gdr n SER 106 Cb 1.05 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 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 -2.58 0.00 -0.49 7.33 0.00 0.70 -4.47 120.51 121.01 3gdr n ALA 107 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3gdr n ALA 107 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.13 0.11 0.00 0.00 -1.26 -1.46 105.19 106.44 3gdr n GLY 108 Ca 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 1.56 0.02 1.61 -1.51 -1.97 -3.33 116.25 112.62 3gdr h VAL 109 Ca 0.00 -2.77 -0.20 0.00 -1.23 0.00 0.00 66.70 62.50 3gdr h VAL 109 Cb 0.00 2.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 3gdr h VAL 109 CO 0.00 0.80 -0.95 1.88 -1.23 0.00 0.00 177.57 178.07 3gdr h TYR 110 N 0.04 0.11 -6.93 5.19 0.05 -1.97 -3.45 116.97 110.01 3gdr h TYR 110 Ca -0.02 -0.07 -0.59 0.00 0.05 0.00 0.00 58.73 58.10 3gdr h TYR 110 Cb 1.49 -0.01 -0.19 0.00 1.01 0.00 0.00 36.73 39.03 3gdr h TYR 110 CO 0.01 0.97 -0.93 0.54 -1.05 0.00 0.00 178.16 177.70 3gdr n ARG 111 N -3.49 -1.67 -0.28 4.88 1.74 -0.54 -4.82 116.66 112.48 3gdr n ARG 111 Ca -0.02 0.19 0.10 0.00 -0.77 0.00 0.00 57.85 57.36 3gdr n ARG 111 Cb 0.88 -4.03 0.25 0.00 -1.02 0.00 0.00 32.46 28.54 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 -1.69 0.41 -0.04 0.55 2.04 -1.73 -0.83 117.51 116.22 3gdr h ILE 112 Ca -0.64 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3gdr h ILE 112 Cb 1.39 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3gdr h ILE 112 CO 0.71 0.05 0.05 0.00 0.00 0.00 0.00 178.15 178.96 3gdr h ALA 113 N 1.71 1.55 0.00 1.87 0.00 -0.86 0.59 119.26 124.12 3gdr h ALA 113 Ca 0.50 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 3gdr h ALA 113 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3gdr h ALA 113 CO -0.58 -0.07 -0.17 0.93 0.00 0.00 0.00 179.25 179.36 3gdr h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.41 -3.39 114.58 114.86 3gdr h GLU 114 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gdr h GLU 114 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gdr h GLU 114 CO -0.00 0.17 -0.43 -2.67 -1.00 0.00 0.00 179.01 175.07 3gdr n TRP 115 N -3.30 0.00 -2.65 4.33 4.27 -0.70 -5.04 117.44 114.35 3gdr n TRP 115 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 3gdr n TRP 115 Cb 0.41 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.34 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 -1.11 3.35 0.20 -1.67 0.00 0.12 -4.80 121.76 117.83 3gdr s ALA 116 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 3gdr s ALA 116 Cb 0.00 -3.74 0.12 0.00 0.00 0.00 0.00 23.12 19.50 3gdr s ALA 116 CO 0.00 -1.81 1.86 -0.44 0.00 0.00 0.00 175.76 175.37 3gdr h ASP 117 N 8.60 0.77 -4.29 0.00 3.32 -1.53 -3.44 116.42 119.86 3gdr h ASP 117 Ca -0.22 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.30 3gdr h ASP 117 Cb 1.06 -0.19 -0.27 0.00 0.22 0.00 0.00 39.33 40.15 3gdr h ASP 117 CO 1.06 0.56 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.69 3gdr s ILE 118 N -6.14 1.32 0.33 0.35 1.01 -0.36 -1.47 121.20 116.24 3gdr s ILE 118 Ca -0.13 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3gdr s ILE 118 Cb 0.14 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3gdr s ILE 118 CO 0.77 0.22 0.16 0.42 0.00 0.00 0.00 174.94 176.51 3gdr s THR 119 N -0.61 0.40 0.09 2.92 -4.23 -0.90 -2.44 115.64 110.87 3gdr s THR 119 Ca 0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 3gdr s THR 119 Cb -0.07 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 3gdr s THR 119 CO 0.00 0.00 -0.09 0.54 -0.54 0.00 0.00 174.62 174.54 3gdr s ASN 120 N -3.42 1.28 0.02 3.99 2.20 -1.26 -0.94 114.94 116.81 3gdr s ASN 120 Ca 0.34 -0.83 -0.02 0.00 -0.94 0.00 0.00 52.86 51.41 3gdr s ASN 120 Cb 0.05 0.04 -0.02 0.00 -2.00 0.00 0.00 41.25 39.32 3gdr s ASN 120 CO 0.17 -0.31 0.01 0.00 -2.94 0.00 0.00 177.10 174.03 3gdr s ALA 121 N -2.63 0.04 -0.02 3.54 0.00 -0.33 -2.74 121.76 119.62 3gdr s ALA 121 Ca 0.05 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 3gdr s ALA 121 Cb -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3gdr s ALA 121 CO -0.01 -0.19 0.76 -1.01 0.00 0.00 0.00 175.76 175.31 3gdr s HIS 122 N -1.61 3.64 -1.30 0.00 3.76 -0.43 -0.85 115.29 118.49 3gdr s HIS 122 Ca -0.14 1.38 0.28 0.00 -0.15 0.00 0.00 55.06 56.42 3gdr s HIS 122 Cb -0.08 -2.85 1.33 0.00 1.11 0.00 0.00 32.58 32.09 3gdr s HIS 122 CO -0.01 0.14 1.93 0.41 -0.85 0.00 0.00 174.74 176.36 3gdr n GLY 123 N 2.84 -1.27 0.38 -2.22 0.00 -1.26 -4.13 105.19 99.53 3gdr n GLY 123 Ca -0.01 -0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.61 0.00 1.61 3.04 -1.95 0.05 116.25 119.60 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 0.32 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 3gdr h VAL 124 CO 0.00 0.10 0.00 1.33 -1.01 0.00 0.00 177.57 177.99 3gdr n VAL 125 N -4.67 0.25 0.00 1.51 0.24 -1.26 -5.02 118.33 109.39 3gdr n VAL 125 Ca 0.24 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 3gdr n VAL 125 Cb 0.74 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 0.66 0.11 0.38 7.63 0.00 0.00 -4.56 105.19 109.41 3gdr n GLY 126 Ca 0.11 -1.92 0.19 0.00 0.00 0.00 0.00 46.02 44.40 3gdr n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdr h PRO 127 N 0.00 0.00 -0.15 1.61 0.11 -1.94 -2.43 132.00 129.20 3gdr h PRO 127 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 3gdr h PRO 127 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3gdr h PRO 127 CO 0.00 0.00 0.14 0.78 -0.21 0.00 0.00 178.00 178.71 3gdr h GLY 128 N 0.00 0.00 1.64 -0.55 0.00 -1.96 -0.71 103.07 101.49 3gdr h GLY 128 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 3gdr h GLY 128 CO -0.00 0.00 -0.64 1.19 0.00 0.00 0.00 176.54 177.09 3gdr h ILE 129 N 0.00 1.37 0.08 2.60 2.10 -1.65 -0.21 117.51 121.79 3gdr h ILE 129 Ca 0.07 -2.01 -0.00 0.00 1.08 0.00 0.00 64.86 63.99 3gdr h ILE 129 Cb 0.35 2.00 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3gdr h ILE 129 CO -0.00 0.60 -0.04 0.58 -1.08 0.00 0.00 178.15 178.22 3gdr h VAL 130 N 0.26 1.18 -0.56 2.19 2.07 -1.36 -1.45 116.25 118.57 3gdr h VAL 130 Ca -0.01 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 3gdr h VAL 130 Cb 1.18 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 3gdr h VAL 130 CO 0.11 0.24 0.08 0.77 0.02 0.00 0.00 177.57 178.79 3gdr h SER 131 N -0.57 0.87 -0.09 0.57 4.64 -1.40 -0.93 113.55 116.63 3gdr h SER 131 Ca -0.01 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3gdr h SER 131 Cb 0.48 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3gdr h SER 131 CO 0.02 0.88 0.01 1.23 -0.87 0.00 0.00 176.83 178.10 3gdr h GLY 132 N 1.01 0.17 1.35 -0.77 0.00 -1.05 -1.86 103.07 101.91 3gdr h GLY 132 Ca 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3gdr h GLY 132 CO 0.01 0.11 0.01 1.41 0.00 0.00 0.00 176.54 178.09 3gdr h LEU 133 N -0.10 0.76 -0.49 3.11 3.38 -1.17 -1.85 115.31 118.95 3gdr h LEU 133 Ca 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3gdr h LEU 133 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gdr h LEU 133 CO 0.00 0.82 0.26 0.50 0.09 0.00 0.00 178.44 180.12 3gdr h LYS 134 N 0.75 0.68 -0.52 1.13 3.64 -1.08 -0.15 116.57 121.02 3gdr h LYS 134 Ca 0.15 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3gdr h LYS 134 Cb 0.44 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3gdr h LYS 134 CO 0.02 0.53 0.11 0.37 -2.27 0.00 0.00 179.45 178.21 3gdr h GLN 135 N 0.64 0.85 -0.80 1.90 4.15 -1.08 -1.38 115.11 119.39 3gdr h GLN 135 Ca 0.17 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3gdr h GLN 135 Cb 0.05 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3gdr h GLN 135 CO -0.03 0.82 0.31 0.00 -1.93 0.00 0.00 178.83 178.00 3gdr h ALA 136 N 1.00 1.04 -0.03 3.38 0.00 -1.08 -0.68 119.26 122.88 3gdr h ALA 136 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gdr h ALA 136 Cb 0.36 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gdr h ALA 136 CO 0.00 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.94 3gdr h ALA 137 N 1.17 0.04 -0.47 0.00 0.00 -0.70 -0.75 119.26 118.55 3gdr h ALA 137 Ca 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3gdr h ALA 137 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gdr h ALA 137 CO -0.02 -0.43 0.08 0.93 0.00 0.00 0.00 179.25 179.81 3gdr h GLU 138 N -0.02 0.72 0.00 0.00 5.08 -1.05 -1.92 114.58 117.39 3gdr h GLU 138 Ca 0.01 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3gdr h GLU 138 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3gdr h GLU 138 CO -0.00 0.67 -0.31 0.93 -1.00 0.00 0.00 179.01 179.30 3gdr h GLU 139 N 0.69 0.00 0.10 2.33 5.08 -0.89 -3.35 114.58 118.54 3gdr h GLU 139 Ca 0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.18 3gdr h GLU 139 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3gdr h GLU 139 CO 0.00 0.31 -1.79 0.28 -1.00 0.00 0.00 179.01 176.81 3gdr h VAL 140 N 0.00 0.72 -3.85 3.13 2.07 -0.79 -3.50 116.25 114.03 3gdr h VAL 140 Ca -0.00 -2.31 -0.09 0.00 0.82 0.00 0.00 66.70 65.11 3gdr h VAL 140 Cb 0.99 2.46 -0.14 0.00 -1.52 0.00 0.00 31.29 33.08 3gdr h VAL 140 CO 0.04 0.75 -0.38 0.28 0.02 0.00 0.00 177.57 178.28 3gdr s THR 141 N -2.51 0.13 -0.67 2.57 -1.32 -0.75 -4.99 115.64 108.10 3gdr s THR 141 Ca -0.24 -1.26 0.23 0.00 -1.21 0.00 0.00 61.69 59.22 3gdr s THR 141 Cb 0.06 -1.44 -0.10 0.00 -1.51 0.00 0.00 72.50 69.52 3gdr s THR 141 CO 0.73 -0.61 1.08 2.29 -2.21 0.00 0.00 174.62 175.90 3gdr n LYS 142 N -0.08 0.25 -2.10 7.08 2.85 -1.26 -4.44 118.16 120.45 3gdr n LYS 142 Ca -0.14 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.75 3gdr n LYS 142 Cb 0.62 -1.59 0.01 0.00 -0.65 0.00 0.00 35.03 33.42 3gdr n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3gdr s GLU 143 N -3.17 3.58 0.19 -1.58 0.41 -1.26 -4.93 118.70 111.94 3gdr s GLU 143 Ca 0.05 1.93 -0.33 0.00 -0.41 0.00 0.00 54.97 56.21 3gdr s GLU 143 Cb 0.15 -2.38 -0.13 0.00 -1.78 0.00 0.00 34.13 29.98 3gdr s GLU 143 CO 0.79 -0.74 1.55 -2.30 -0.49 0.00 0.00 175.26 174.07 3gdr n PRO 144 N -0.62 2.21 -4.40 0.39 -0.02 -1.26 -5.00 135.00 126.29 3gdr n PRO 144 Ca 0.08 0.79 -0.20 0.00 -2.02 0.00 0.00 63.50 62.16 3gdr n PRO 144 Cb 0.47 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.57 0.90 0.05 -0.52 1.81 -1.26 -4.79 118.95 115.71 3gdr s ARG 145 Ca 0.75 -0.60 -0.02 0.00 -1.72 0.00 0.00 55.73 54.15 3gdr s ARG 145 Cb -0.65 -0.88 -0.03 0.00 -0.45 0.00 0.00 34.95 32.94 3gdr s ARG 145 CO 0.40 0.23 -0.01 0.20 -0.68 0.00 0.00 175.30 175.44 3gdr s GLY 146 N -0.77 0.42 -0.02 -3.53 0.00 -0.54 -4.77 107.32 98.10 3gdr s GLY 146 Ca 0.02 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.67 3gdr s GLY 146 CO 0.00 -1.22 -0.13 -2.27 0.00 0.00 0.00 173.10 169.48 3gdr s LEU 147 N -2.80 1.93 -0.09 0.66 2.96 0.02 -2.12 118.68 119.25 3gdr s LEU 147 Ca 0.05 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3gdr s LEU 147 Cb 0.06 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 3gdr s LEU 147 CO -0.09 0.14 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.30 3gdr s LEU 148 N -0.10 3.48 -0.07 -0.68 1.43 -0.11 -1.21 118.68 121.42 3gdr s LEU 148 Ca 0.01 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 3gdr s LEU 148 Cb -0.08 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3gdr s LEU 148 CO 0.00 0.35 0.28 -0.04 0.23 0.00 0.00 176.35 177.18 3gdr s MET 149 N -0.74 3.75 -1.31 1.70 -1.94 -0.38 -1.18 119.30 119.19 3gdr s MET 149 Ca 0.11 0.15 -0.17 0.00 -1.71 0.00 0.00 55.69 54.08 3gdr s MET 149 Cb -0.11 -3.23 0.08 0.00 2.01 0.00 0.00 34.83 33.58 3gdr s MET 149 CO 0.02 0.69 1.76 1.28 -0.01 0.00 0.00 175.02 178.76 3gdr n LEU 150 N 2.05 5.28 0.03 -0.03 4.77 -0.03 -1.58 117.00 127.49 3gdr n LEU 150 Ca -0.16 -4.05 -0.10 0.00 -0.03 0.00 0.00 56.01 51.67 3gdr n LEU 150 Cb 0.53 -1.71 0.04 0.00 -2.33 0.00 0.00 43.42 39.96 3gdr n LEU 150 CO 0.35 0.40 0.42 0.00 -1.33 0.00 0.00 177.39 177.22 3gdr h ALA 151 N 7.24 0.65 -2.87 -1.18 0.00 -1.80 -3.43 119.26 117.88 3gdr h ALA 151 Ca 0.44 -0.56 -0.40 0.00 0.00 0.00 0.00 54.91 54.40 3gdr h ALA 151 Cb 0.83 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.17 3gdr h ALA 151 CO 1.49 0.72 -0.70 -1.21 0.00 0.00 0.00 179.25 179.55 3gdr s GLU 152 N -3.81 0.10 0.52 0.00 2.02 -1.00 -4.43 118.70 112.10 3gdr s GLU 152 Ca -0.07 0.06 -0.06 0.00 0.02 0.00 0.00 54.97 54.93 3gdr s GLU 152 Cb 0.11 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 3gdr s GLU 152 CO 0.84 -0.64 0.84 -0.51 0.02 0.00 0.00 175.26 175.81 3gdr s LEU 153 N 2.22 3.53 0.00 1.80 1.43 -1.26 -4.38 118.68 122.00 3gdr s LEU 153 Ca 0.04 1.02 0.11 0.00 -1.03 0.00 0.00 54.13 54.27 3gdr s LEU 153 Cb -0.16 -3.98 -0.10 0.00 0.03 0.00 0.00 46.19 41.98 3gdr s LEU 153 CO -0.10 -0.66 0.51 -1.20 0.23 0.00 0.00 176.35 175.12 3gdr n SER 154 N -2.38 0.65 -4.77 2.29 7.64 -1.26 -4.96 113.62 110.83 3gdr n SER 154 Ca 0.02 -0.82 -0.35 0.00 1.01 0.00 0.00 58.87 58.73 3gdr n SER 154 Cb 0.55 0.92 0.01 0.00 -1.01 0.00 0.00 64.21 64.68 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 -1.37 2.72 -1.02 0.00 4.81 -1.26 -2.18 118.16 119.86 3gdr n LYS 156 Ca 0.12 0.98 -0.01 0.00 -0.87 0.00 0.00 58.31 58.53 3gdr n LYS 156 Cb 0.51 -2.82 -0.00 0.00 0.02 0.00 0.00 35.03 32.74 3gdr n LYS 156 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gdr n GLY 157 N 3.92 0.46 3.71 3.14 0.00 -1.26 -5.00 105.19 110.16 3gdr n GLY 157 Ca 0.16 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3gdr n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gdr n SER 158 N 0.11 1.93 -1.19 1.61 3.41 -0.93 -4.93 113.62 113.63 3gdr n SER 158 Ca -0.01 0.85 0.11 0.00 -0.26 0.00 0.00 58.87 59.56 3gdr n SER 158 Cb 0.10 -1.53 0.26 0.00 -0.26 0.00 0.00 64.21 62.78 3gdr n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdr n LEU 159 N -1.56 3.64 -3.63 1.04 4.77 -1.26 -4.76 117.00 115.24 3gdr n LEU 159 Ca 0.15 -1.81 -0.41 0.00 -0.03 0.00 0.00 56.01 53.91 3gdr n LEU 159 Cb 0.47 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3gdr n LEU 159 CO 0.48 0.86 2.74 0.00 -1.33 0.00 0.00 177.39 180.15 3gdr n ALA 160 N 1.45 5.63 -2.22 -1.18 0.00 -1.26 -4.78 120.51 118.15 3gdr n ALA 160 Ca 0.21 -3.69 -0.09 0.00 0.00 0.00 0.00 53.44 49.86 3gdr n ALA 160 Cb 0.59 -3.51 -0.10 0.00 0.00 0.00 0.00 19.45 16.44 3gdr n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdr s THR 161 N 3.23 0.11 0.00 0.00 -4.23 -1.26 -4.48 115.64 109.02 3gdr s THR 161 Ca 0.52 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3gdr s THR 161 Cb 0.15 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3gdr s THR 161 CO -0.06 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 3gdr n GLY 162 N -0.08 2.42 0.23 3.99 0.00 -1.26 -1.59 105.19 108.89 3gdr n GLY 162 Ca -0.07 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.38 3gdr n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gdr h GLU 163 N 0.00 0.00 -0.16 1.61 4.57 -1.98 -2.44 114.58 116.19 3gdr h GLU 163 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3gdr h GLU 163 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3gdr h GLU 163 CO 0.00 0.15 0.02 -0.92 -1.18 0.00 0.00 179.01 177.07 3gdr h TYR 164 N 0.00 0.29 -0.60 0.92 3.20 -1.60 0.11 116.97 119.28 3gdr h TYR 164 Ca -0.00 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 3gdr h TYR 164 Cb 0.26 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3gdr h TYR 164 CO 0.00 0.45 0.24 1.15 -1.64 0.00 0.00 178.16 178.36 3gdr h THR 165 N 0.04 1.23 -0.64 1.81 2.02 -1.62 0.35 112.91 116.11 3gdr h THR 165 Ca 0.05 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3gdr h THR 165 Cb 0.32 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3gdr h THR 165 CO 0.00 0.28 0.38 0.50 0.37 0.00 0.00 175.52 177.06 3gdr h LYS 166 N 0.84 0.86 -0.17 6.66 3.64 -1.28 -0.97 116.57 126.14 3gdr h LYS 166 Ca 0.20 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3gdr h LYS 166 Cb 0.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3gdr h LYS 166 CO -0.02 0.62 -0.26 0.78 -2.27 0.00 0.00 179.45 178.30 3gdr h GLY 167 N 0.86 0.35 1.05 5.01 0.00 -0.34 -1.90 103.07 108.09 3gdr h GLY 167 Ca 0.23 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3gdr h GLY 167 CO -0.04 0.25 -0.13 -0.84 0.00 0.00 0.00 176.54 175.77 3gdr h THR 168 N 0.29 1.27 -0.65 4.70 2.02 -0.33 -1.46 112.91 118.75 3gdr h THR 168 Ca 0.04 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 3gdr h THR 168 Cb 0.62 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3gdr h THR 168 CO 0.04 0.43 0.26 0.58 0.37 0.00 0.00 175.52 177.21 3gdr h VAL 169 N 0.75 1.24 -0.86 3.16 2.07 -0.95 -1.37 116.25 120.28 3gdr h VAL 169 Ca 0.11 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3gdr h VAL 169 Cb 0.69 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3gdr h VAL 169 CO 0.05 0.30 0.49 0.44 0.02 0.00 0.00 177.57 178.87 3gdr h ASP 170 N 0.92 1.06 -0.68 0.57 3.32 -1.06 -1.66 116.42 118.89 3gdr h ASP 170 Ca 0.22 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3gdr h ASP 170 Cb 0.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3gdr h ASP 170 CO -0.02 0.84 0.13 0.40 -1.72 0.00 0.00 179.24 178.88 3gdr h ILE 171 N 1.20 1.26 -1.00 0.35 2.04 -0.82 -2.52 117.51 118.03 3gdr h ILE 171 Ca 0.31 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 65.21 3gdr h ILE 171 Cb -0.00 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3gdr h ILE 171 CO -0.05 0.38 0.65 0.00 0.00 0.00 0.00 178.15 179.13 3gdr h ALA 172 N 1.09 1.37 0.00 1.87 0.00 -0.38 -1.03 119.26 122.18 3gdr h ALA 172 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gdr h ALA 172 Cb 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gdr h ALA 172 CO 0.01 0.46 0.00 0.87 0.00 0.00 0.00 179.25 180.59 3gdr h LYS 173 N 1.19 0.00 0.00 0.00 1.57 -0.89 -2.44 116.57 116.00 3gdr h LYS 173 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3gdr h LYS 173 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3gdr h LYS 173 CO -0.16 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.38 3gdr h SER 174 N 0.00 0.00 -1.12 0.86 4.64 -1.22 -3.40 113.55 113.32 3gdr h SER 174 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3gdr h SER 174 Cb 0.01 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.89 3gdr h SER 174 CO 0.00 0.00 -0.47 -0.62 -0.87 0.00 0.00 176.83 174.87 3gdr s ASP 175 N -4.54 -1.21 0.20 4.97 -1.08 -0.92 -4.99 116.67 109.10 3gdr s ASP 175 Ca 0.04 -0.76 0.24 0.00 -0.52 0.00 0.00 52.55 51.56 3gdr s ASP 175 Cb 0.09 1.80 0.90 0.00 -1.46 0.00 0.00 42.92 44.26 3gdr s ASP 175 CO 0.44 -0.20 1.74 2.29 0.52 0.00 0.00 175.17 179.96 3gdr n LYS 176 N 4.52 0.19 0.09 4.34 2.85 -1.26 -1.15 118.16 127.74 3gdr n LYS 176 Ca 0.10 0.29 -0.12 0.00 -1.05 0.00 0.00 58.31 57.53 3gdr n LYS 176 Cb 0.55 -1.79 -0.07 0.00 -0.65 0.00 0.00 35.03 33.08 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 0.33 0.00 -5.58 3.32 -1.94 -3.39 116.42 109.16 3gdr h ASP 177 Ca 0.00 -0.30 -0.26 0.00 0.02 0.00 0.00 57.03 56.49 3gdr h ASP 177 Cb 0.53 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3gdr h ASP 177 CO 0.00 1.16 -1.97 0.33 -1.72 0.00 0.00 179.24 177.04 3gdr n PHE 178 N -3.60 0.00 -2.86 4.55 7.35 -1.17 -4.36 117.46 117.37 3gdr n PHE 178 Ca -0.05 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.21 3gdr n PHE 178 Cb 0.90 -0.66 -0.04 0.00 0.35 0.00 0.00 39.48 40.02 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 -2.34 4.42 -0.84 -2.13 1.01 -0.30 -0.79 120.40 119.42 3gdr s VAL 179 Ca -0.20 0.21 0.25 0.00 0.00 0.00 0.00 61.98 62.23 3gdr s VAL 179 Cb 0.06 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.94 3gdr s VAL 179 CO 0.43 -1.11 1.41 2.30 0.00 0.00 0.00 175.10 178.12 3gdr n ILE 180 N 6.15 0.15 -1.69 2.22 -5.35 -0.35 -4.62 119.36 115.87 3gdr n ILE 180 Ca 0.01 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3gdr n ILE 180 Cb 0.47 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 1.43 -0.56 3.10 3.28 0.00 -1.24 -1.03 105.19 110.18 3gdr n GLY 181 Ca 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.54 0.44 -0.37 1.61 0.08 -0.12 -1.25 117.98 114.84 3gdr s PHE 182 Ca 0.00 -0.96 -0.15 0.00 0.12 0.00 0.00 56.93 55.95 3gdr s PHE 182 Cb 0.00 -0.32 -0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3gdr s PHE 182 CO 0.00 -0.40 0.32 0.42 -0.10 0.00 0.00 175.22 175.47 3gdr s ILE 183 N -3.77 5.21 0.26 0.64 -1.09 -0.62 -1.44 121.20 120.40 3gdr s ILE 183 Ca 0.05 -0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.08 3gdr s ILE 183 Cb 0.06 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3gdr s ILE 183 CO -0.10 -0.16 0.56 0.00 -1.23 0.00 0.00 174.94 174.01 3gdr s ALA 184 N 1.88 -0.50 -2.01 9.38 0.00 -0.78 -2.36 121.76 127.36 3gdr s ALA 184 Ca 0.09 -0.73 0.20 0.00 0.00 0.00 0.00 51.96 51.51 3gdr s ALA 184 Cb -0.17 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.00 3gdr s ALA 184 CO 0.11 -0.91 1.02 1.04 0.00 0.00 0.00 175.76 177.03 3gdr n GLN 185 N -0.41 1.58 -3.97 0.00 1.13 -1.26 -4.00 117.38 110.45 3gdr n GLN 185 Ca -0.02 -1.17 -0.10 0.00 -1.94 0.00 0.00 57.00 53.76 3gdr n GLN 185 Cb 0.61 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.01 1.82 0.35 -1.09 1.70 -1.26 -4.95 118.95 113.50 3gdr s ARG 186 Ca 0.18 -1.39 -0.28 0.00 -0.47 0.00 0.00 55.73 53.77 3gdr s ARG 186 Cb 0.16 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.95 3gdr s ARG 186 CO 0.41 -0.79 1.33 0.34 -1.08 0.00 0.00 175.30 175.51 3gdr s ASP 187 N -3.07 6.65 -0.08 -2.89 2.15 -1.26 -4.93 116.67 113.23 3gdr s ASP 187 Ca 0.22 2.73 0.14 0.00 0.43 0.00 0.00 52.55 56.07 3gdr s ASP 187 Cb -0.02 -2.65 0.47 0.00 -0.30 0.00 0.00 42.92 40.42 3gdr s ASP 187 CO 0.12 -0.62 1.39 0.23 -0.17 0.00 0.00 175.17 176.12 3gdr n MET 188 N 0.65 3.07 0.00 4.34 2.81 -1.26 -5.08 117.12 121.65 3gdr n MET 188 Ca 0.01 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.40 3gdr n MET 188 Cb 0.42 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.31 1.78 0.42 3.03 0.00 -1.26 -4.94 105.19 104.53 3gdr n GLY 189 Ca 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 2.95 0.39 -0.02 0.00 -1.26 -4.74 105.19 102.50 3gdr n GLY 190 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.31 0.00 1.61 3.08 -1.90 -0.18 114.38 117.30 3gdr h ARG 191 Ca 0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3gdr h ARG 191 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3gdr h ARG 191 CO 0.00 0.20 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.40 3gdr h ASP 192 N 0.32 0.00 -0.30 7.04 3.32 -1.91 -3.10 116.42 121.79 3gdr h ASP 192 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3gdr h ASP 192 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3gdr h ASP 192 CO -0.10 0.26 0.00 -0.62 -1.72 0.00 0.00 179.24 177.06 3gdr n GLU 193 N -3.37 2.35 -0.39 3.56 4.71 -0.16 -4.94 120.64 122.38 3gdr n GLU 193 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 57.16 55.13 3gdr n GLU 193 Cb 0.48 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 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 1.42 0.77 3.73 0.62 0.00 -1.03 -5.07 105.19 105.64 3gdr n GLY 194 Ca 0.18 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 3.25 -0.53 1.61 2.02 -0.71 -5.00 117.35 115.99 3gdr s TYR 195 Ca 0.00 0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.99 3gdr s TYR 195 Cb 0.00 -1.80 0.15 0.00 -0.40 0.00 0.00 41.96 39.90 3gdr s TYR 195 CO 0.00 0.53 0.33 0.34 -1.57 0.00 0.00 175.55 175.18 3gdr s ASP 196 N -1.07 3.91 -0.02 2.29 2.15 -1.26 -3.06 116.67 119.62 3gdr s ASP 196 Ca 0.15 -3.13 -0.18 0.00 0.43 0.00 0.00 52.55 49.82 3gdr s ASP 196 Cb -0.12 -1.29 -0.05 0.00 -0.30 0.00 0.00 42.92 41.16 3gdr s ASP 196 CO 0.05 -0.19 0.51 0.26 -0.17 0.00 0.00 175.17 175.62 3gdr s TRP 197 N -0.36 3.68 0.04 -5.34 0.51 -1.26 -4.88 118.94 111.32 3gdr s TRP 197 Ca 0.21 1.08 -0.30 0.00 -2.12 0.00 0.00 56.10 54.97 3gdr s TRP 197 Cb -0.16 -2.49 -0.04 0.00 -0.81 0.00 0.00 33.47 29.97 3gdr s TRP 197 CO -0.07 0.43 1.04 -0.51 -0.51 0.00 0.00 176.95 177.33 3gdr s LEU 198 N -0.40 4.39 -0.33 2.99 1.43 -0.19 -4.93 118.68 121.64 3gdr s LEU 198 Ca 0.27 1.79 -0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3gdr s LEU 198 Cb -0.17 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.52 3gdr s LEU 198 CO 0.15 -0.28 0.09 -0.63 0.23 0.00 0.00 176.35 175.90 3gdr s ILE 199 N 0.81 3.54 -0.20 -0.59 -1.09 -1.26 -0.95 121.20 121.45 3gdr s ILE 199 Ca 0.53 -1.27 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 3gdr s ILE 199 Cb -0.24 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 3gdr s ILE 199 CO 0.29 -0.20 0.04 -0.04 -1.23 0.00 0.00 174.94 173.80 3gdr s MET 200 N 1.34 3.77 -0.22 2.79 -1.94 -0.52 -0.48 119.30 124.05 3gdr s MET 200 Ca -0.02 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.53 3gdr s MET 200 Cb -0.20 -3.19 0.03 0.00 2.01 0.00 0.00 34.83 33.48 3gdr s MET 200 CO 0.01 0.07 -0.15 0.99 -0.01 0.00 0.00 175.02 175.93 3gdr s THR 201 N 0.90 2.24 0.80 2.05 2.01 0.00 -1.87 115.64 121.76 3gdr s THR 201 Ca 0.03 -1.16 -0.07 0.00 0.31 0.00 0.00 61.69 60.79 3gdr s THR 201 Cb -0.14 -2.09 0.14 0.00 0.01 0.00 0.00 72.50 70.42 3gdr s THR 201 CO 0.02 0.31 1.11 -2.16 -0.69 0.00 0.00 174.62 173.22 3gdr s PRO 202 N 1.24 1.44 -0.66 4.92 0.04 -1.26 -1.05 135.00 139.67 3gdr s PRO 202 Ca -0.00 -0.68 -0.04 0.00 0.04 0.00 0.00 61.00 60.32 3gdr s PRO 202 Cb -0.16 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3gdr s PRO 202 CO -0.09 -1.73 0.55 0.41 0.04 0.00 0.00 177.00 176.18 3gdr n GLY 203 N -3.17 0.23 3.67 0.56 0.00 -1.23 -4.88 105.19 100.36 3gdr n GLY 203 Ca 0.13 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.13 4.38 0.00 1.61 1.01 -1.25 -1.45 120.40 121.57 3gdr s VAL 204 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3gdr s VAL 204 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3gdr s VAL 204 CO 0.34 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.63 3gdr n GLY 205 N 2.39 0.03 0.00 4.51 0.00 -1.26 -4.79 105.19 106.08 3gdr n GLY 205 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.76 0.00 -2.00 1.61 1.74 -0.53 -4.73 116.66 111.00 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 4.72 0.10 0.55 -4.23 -1.26 -4.92 115.64 110.60 3gdr s THR 219 Ca 0.00 0.83 -0.23 0.00 -1.18 0.00 0.00 61.69 61.11 3gdr s THR 219 Cb 0.00 -3.86 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 3gdr s THR 219 CO 0.00 -1.08 1.72 0.58 -0.54 0.00 0.00 174.62 175.30 3gdr h VAL 220 N -0.16 0.87 -0.95 2.29 2.07 -1.94 -1.73 116.25 116.70 3gdr h VAL 220 Ca -0.45 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.15 3gdr h VAL 220 Cb 1.19 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 3gdr h VAL 220 CO 0.62 0.00 0.60 0.44 0.02 0.00 0.00 177.57 179.25 3gdr h ASP 221 N -0.08 0.94 0.86 0.57 3.45 -1.94 -1.63 116.42 118.59 3gdr h ASP 221 Ca 0.02 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 3gdr h ASP 221 Cb 0.11 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 3gdr h ASP 221 CO -0.06 0.58 -0.46 -0.78 -1.57 0.00 0.00 179.24 176.96 3gdr h ASP 222 N 1.07 -1.11 -0.43 6.45 3.58 -1.79 -2.12 116.42 122.06 3gdr h ASP 222 Ca 0.42 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.89 3gdr h ASP 222 Cb 0.22 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 3gdr h ASP 222 CO -0.19 -0.74 0.15 -0.37 -2.88 0.00 0.00 179.24 175.21 3gdr h VAL 223 N -1.21 1.21 -0.51 2.25 -1.51 -1.18 -2.74 116.25 112.56 3gdr h VAL 223 Ca -0.12 -0.68 -0.05 0.00 -1.23 0.00 0.00 66.70 64.63 3gdr h VAL 223 Cb 0.95 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 3gdr h VAL 223 CO 0.16 0.24 0.13 0.58 -1.23 0.00 0.00 177.57 177.46 3gdr h VAL 224 N 0.54 1.24 0.00 7.19 2.07 -1.35 -1.70 116.25 124.24 3gdr h VAL 224 Ca 0.14 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3gdr h VAL 224 Cb 0.23 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3gdr h VAL 224 CO -0.01 0.31 -0.15 0.77 0.02 0.00 0.00 177.57 178.51 3gdr h SER 225 N 0.70 0.00 1.78 0.57 4.64 -1.38 -2.11 113.55 117.76 3gdr h SER 225 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3gdr h SER 225 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3gdr h SER 225 CO 0.00 0.15 -0.00 0.74 -0.87 0.00 0.00 176.83 176.85 3gdr h THR 226 N 0.00 0.01 0.00 2.95 2.02 -1.12 -3.47 112.91 113.30 3gdr h THR 226 Ca -0.00 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3gdr h THR 226 Cb 0.46 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3gdr h THR 226 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3gdr n GLY 227 N 0.87 0.44 3.75 2.16 0.00 -0.79 -4.26 105.19 107.34 3gdr n GLY 227 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.73 7.19 -0.12 1.61 0.01 -0.69 -4.69 113.70 116.29 3gdr s SER 228 Ca 0.00 2.25 0.10 0.00 1.31 0.00 0.00 55.95 59.61 3gdr s SER 228 Cb 0.00 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.38 3gdr s SER 228 CO 0.00 -0.24 0.38 0.47 0.41 0.00 0.00 173.24 174.25 3gdr n ASP 229 N 1.78 0.95 -3.94 2.44 8.00 0.37 -4.53 116.55 121.62 3gdr n ASP 229 Ca 0.01 0.22 -0.19 0.00 0.71 0.00 0.00 54.79 55.55 3gdr n ASP 229 Cb 0.45 0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.56 0.55 -0.20 0.53 1.01 -0.75 -4.81 121.20 114.97 3gdr s ILE 230 Ca -0.12 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 3gdr s ILE 230 Cb 0.07 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 3gdr s ILE 230 CO 0.80 0.19 0.16 0.27 0.00 0.00 0.00 174.94 176.36 3gdr s ILE 231 N 0.40 5.38 -0.34 2.92 -4.36 -0.49 -0.82 121.20 123.89 3gdr s ILE 231 Ca -0.05 0.24 -0.10 0.00 -0.26 0.00 0.00 60.65 60.48 3gdr s ILE 231 Cb -0.09 -3.50 0.01 0.00 1.25 0.00 0.00 42.46 40.13 3gdr s ILE 231 CO 0.00 0.41 0.18 -0.63 0.24 0.00 0.00 174.94 175.14 3gdr s ILE 232 N 0.55 4.61 -0.09 8.37 1.01 -0.21 -0.97 121.20 134.47 3gdr s ILE 232 Ca 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3gdr s ILE 232 Cb -0.12 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3gdr s ILE 232 CO 0.00 -0.07 -0.18 -0.69 0.00 0.00 0.00 174.94 174.01 3gdr s VAL 233 N 1.59 2.69 0.00 2.92 1.01 -0.68 -3.55 120.40 124.38 3gdr s VAL 233 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3gdr s VAL 233 Cb -0.18 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3gdr s VAL 233 CO 0.07 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3gdr n GLY 234 N 3.10 0.66 0.25 4.51 0.00 -1.26 -1.24 105.19 111.21 3gdr n GLY 234 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 1.61 3.08 -1.99 -0.15 114.38 116.92 3gdr h ARG 235 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gdr h ARG 235 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gdr h ARG 235 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gdr n GLY 236 N -1.26 -0.88 0.05 0.04 0.00 -1.26 -0.68 105.19 101.20 3gdr n GLY 236 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.48 0.03 0.00 0.99 4.77 -0.07 -4.80 117.00 116.44 3gdr n LEU 237 Ca 0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3gdr n LEU 237 Cb 0.13 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3gdr n LEU 237 CO 0.11 0.18 0.00 2.22 -1.33 0.00 0.00 177.39 178.57 3gdr n PHE 238 N -2.46 0.00 -2.21 -1.77 1.16 -0.97 -3.57 117.46 107.64 3gdr n PHE 238 Ca -0.14 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.17 3gdr n PHE 238 Cb 0.79 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.76 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 -0.03 3.06 -1.43 1.98 0.00 0.15 -4.18 121.76 121.31 3gdr s ALA 239 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3gdr s ALA 239 Cb 0.00 -2.53 0.04 0.00 0.00 0.00 0.00 23.12 20.63 3gdr s ALA 239 CO 0.00 -1.58 0.62 1.63 0.00 0.00 0.00 175.76 176.44 3gdr n LYS 240 N -3.09 -4.48 -0.99 0.00 4.76 -1.26 -1.83 118.16 111.27 3gdr n LYS 240 Ca 0.11 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 3gdr n LYS 240 Cb 0.60 -5.50 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 3gdr n LYS 240 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gdr n GLY 241 N -1.42 0.45 3.76 0.72 0.00 -1.26 -5.02 105.19 102.43 3gdr n GLY 241 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 2.62 -0.46 1.61 0.52 -0.76 -4.98 118.95 117.18 3gdr s ARG 242 Ca 0.00 1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 56.52 3gdr s ARG 242 Cb 0.00 -1.92 0.04 0.00 0.52 0.00 0.00 34.95 33.59 3gdr s ARG 242 CO 0.00 -1.41 0.57 0.34 0.02 0.00 0.00 175.30 174.82 3gdr s ASP 243 N -2.40 6.24 0.27 0.23 3.68 -1.26 -4.77 116.67 118.66 3gdr s ASP 243 Ca 0.69 -0.69 -0.00 0.00 2.13 0.00 0.00 52.55 54.68 3gdr s ASP 243 Cb -0.23 -2.28 0.57 0.00 -1.45 0.00 0.00 42.92 39.54 3gdr s ASP 243 CO 0.42 -0.76 1.73 0.00 0.13 0.00 0.00 175.17 176.69 3gdr h ALA 244 N 8.88 1.28 -0.47 3.66 0.00 -1.90 -1.05 119.26 129.66 3gdr h ALA 244 Ca -0.27 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gdr h ALA 244 Cb 1.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3gdr h ALA 244 CO 0.89 -0.19 0.16 -0.22 0.00 0.00 0.00 179.25 179.89 3gdr h LYS 245 N 0.51 0.72 -0.17 0.00 3.64 -1.86 0.83 116.57 120.23 3gdr h LYS 245 Ca 0.48 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3gdr h LYS 245 Cb 0.77 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 3gdr h LYS 245 CO -0.42 0.67 0.07 0.28 -2.27 0.00 0.00 179.45 177.78 3gdr h VAL 246 N 0.62 1.15 -0.33 2.00 2.07 -1.71 -2.47 116.25 117.58 3gdr h VAL 246 Ca 0.15 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3gdr h VAL 246 Cb 0.24 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3gdr h VAL 246 CO -0.01 0.14 -0.10 -0.33 0.02 0.00 0.00 177.57 177.29 3gdr h GLU 247 N 0.13 0.57 -0.84 1.57 4.39 -1.12 -1.19 114.58 118.08 3gdr h GLU 247 Ca 0.06 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3gdr h GLU 247 Cb 0.16 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3gdr h GLU 247 CO -0.01 0.67 0.50 0.78 -1.16 0.00 0.00 179.01 179.79 3gdr h GLY 248 N 0.93 1.23 1.01 -3.84 0.00 -0.62 0.19 103.07 101.98 3gdr h GLY 248 Ca 0.10 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 3gdr h GLY 248 CO 0.03 0.50 -0.42 -2.09 0.00 0.00 0.00 176.54 174.56 3gdr h GLU 249 N 1.16 0.72 -0.01 4.80 4.57 -1.11 -1.16 114.58 123.54 3gdr h GLU 249 Ca 0.30 -0.45 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3gdr h GLU 249 Cb -0.03 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3gdr h GLU 249 CO -0.06 1.07 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.64 3gdr h ARG 250 N 0.45 -0.19 -0.30 1.92 2.43 -0.85 -0.54 114.38 117.29 3gdr h ARG 250 Ca 0.02 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 3gdr h ARG 250 Cb 1.02 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3gdr h ARG 250 CO 0.10 -0.13 -0.38 1.88 -1.51 0.00 0.00 179.97 179.93 3gdr h TYR 251 N -0.20 0.84 -0.49 2.20 -1.99 -1.00 -2.37 116.97 113.97 3gdr h TYR 251 Ca 0.05 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.54 3gdr h TYR 251 Cb 0.26 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3gdr h TYR 251 CO -0.18 0.98 0.32 -0.09 -0.00 0.00 0.00 178.16 179.19 3gdr h ARG 252 N 0.59 0.64 -0.09 4.88 2.43 -0.95 -0.01 114.38 121.87 3gdr h ARG 252 Ca 0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3gdr h ARG 252 Cb 0.92 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3gdr h ARG 252 CO 0.08 0.43 0.05 -0.22 -1.51 0.00 0.00 179.97 178.80 3gdr h LYS 253 N 0.66 0.12 -0.53 0.20 3.64 -1.03 0.57 116.57 120.21 3gdr h LYS 253 Ca 0.18 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3gdr h LYS 253 Cb -0.07 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3gdr h LYS 253 CO -0.04 0.15 0.33 0.00 -2.27 0.00 0.00 179.45 177.63 3gdr h ALA 254 N 0.96 0.67 -0.29 5.00 0.00 -1.22 0.02 119.26 124.40 3gdr h ALA 254 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3gdr h ALA 254 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gdr h ALA 254 CO -0.01 0.07 -0.01 0.78 0.00 0.00 0.00 179.25 180.08 3gdr h GLY 255 N 0.68 0.57 0.95 0.00 0.00 -0.81 -2.18 103.07 102.26 3gdr h GLY 255 Ca 0.20 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3gdr h GLY 255 CO -0.06 0.39 -0.09 -0.25 0.00 0.00 0.00 176.54 176.53 3gdr h TRP 256 N 0.31 0.78 -0.78 5.60 2.91 -0.74 -2.03 115.95 122.00 3gdr h TRP 256 Ca 0.08 -0.17 -0.03 0.00 1.13 0.00 0.00 58.89 59.90 3gdr h TRP 256 Cb 0.46 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.88 3gdr h TRP 256 CO 0.04 0.85 0.37 0.93 -1.03 0.00 0.00 178.44 179.60 3gdr h GLU 257 N 0.49 1.13 -0.69 2.65 5.08 -1.01 0.14 114.58 122.36 3gdr h GLU 257 Ca 0.09 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3gdr h GLU 257 Cb 0.60 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3gdr h GLU 257 CO 0.04 0.87 0.27 0.00 -1.00 0.00 0.00 179.01 179.19 3gdr h ALA 258 N 1.29 0.89 -0.37 3.43 0.00 -1.28 -1.85 119.26 121.36 3gdr h ALA 258 Ca 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gdr h ALA 258 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gdr h ALA 258 CO -0.03 0.51 0.17 -0.92 0.00 0.00 0.00 179.25 178.98 3gdr h TYR 259 N 0.98 0.55 -0.44 0.00 3.20 -0.69 -2.14 116.97 118.42 3gdr h TYR 259 Ca 0.23 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3gdr h TYR 259 Cb 0.21 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3gdr h TYR 259 CO 0.01 0.47 0.29 -0.07 -1.64 0.00 0.00 178.16 177.23 3gdr h LEU 260 N 0.46 0.50 -0.40 2.82 3.38 -0.67 -2.52 115.31 118.88 3gdr h LEU 260 Ca 0.13 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3gdr h LEU 260 Cb 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gdr h LEU 260 CO -0.01 0.36 -0.66 0.03 0.09 0.00 0.00 178.44 178.25 3gdr h ARG 261 N 0.59 0.54 -6.77 1.13 3.08 -0.99 -3.46 114.38 108.50 3gdr h ARG 261 Ca 0.16 -0.40 -0.57 0.00 0.07 0.00 0.00 59.98 59.24 3gdr h ARG 261 Cb -0.07 0.07 0.13 0.00 0.08 0.00 0.00 29.97 30.18 3gdr h ARG 261 CO -0.03 1.02 0.39 -2.13 -1.07 0.00 0.00 179.97 178.15 3gdr n ARG 262 N -3.90 1.74 -2.33 0.04 0.63 -0.84 -4.92 116.66 107.07 3gdr n ARG 262 Ca -0.04 0.62 -0.42 0.00 -0.92 0.00 0.00 57.85 57.08 3gdr n ARG 262 Cb 0.67 -2.28 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 3gdr n ARG 262 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gdr s GLY 264 N 1.31 1.55 -0.47 0.00 0.00 -1.26 -4.17 107.32 104.28 3gdr s GLY 264 Ca 0.61 -1.08 -0.29 0.00 0.00 0.00 0.00 44.72 43.96 3gdr s GLY 264 CO 0.28 -0.93 1.24 1.62 0.00 0.00 0.00 173.10 175.30 3gdr s GLN 265 N -4.49 3.65 0.00 2.90 2.00 0.03 -4.80 119.66 118.95 3gdr s GLN 265 Ca 0.47 0.66 0.26 0.00 -2.00 0.00 0.00 55.36 54.74 3gdr s GLN 265 Cb -0.10 -3.96 0.52 0.00 0.80 0.00 0.00 33.01 30.27 3gdr s GLN 265 CO 0.37 -1.48 1.44 1.04 -0.50 0.00 0.00 175.29 176.17