#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd5 s ILE 5 N 0.00 3.84 0.20 3.15 -1.09 -1.26 -5.05 121.20 120.99 1pd5 s ILE 5 Ca 0.00 1.00 -0.24 0.00 -2.23 0.00 0.00 60.65 59.18 1pd5 s ILE 5 Cb 0.00 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 37.10 1pd5 s ILE 5 CO 0.00 -0.14 0.79 0.42 -1.23 0.00 0.00 174.94 174.77 1pd5 s THR 6 N 4.12 4.39 1.04 2.92 -4.23 -1.26 -5.06 115.64 117.56 1pd5 s THR 6 Ca 0.67 1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 62.66 1pd5 s THR 6 Cb -0.27 -4.06 0.21 0.00 1.34 0.00 0.00 72.50 69.72 1pd5 s THR 6 CO 0.25 0.40 1.11 -0.83 -0.54 0.00 0.00 174.62 175.00 1pd5 s GLY 7 N -1.34 1.57 0.15 3.99 0.00 -1.26 -4.91 107.32 105.52 1pd5 s GLY 7 Ca 0.39 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 44.34 1pd5 s GLY 7 CO 0.25 0.14 0.77 -2.52 0.00 0.00 0.00 173.10 171.73 1pd5 s TYR 8 N -3.03 -0.33 -0.09 1.90 -0.85 -1.26 -1.03 117.35 112.66 1pd5 s TYR 8 Ca 0.67 0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 57.27 1pd5 s TYR 8 Cb -0.16 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 1pd5 s TYR 8 CO 0.57 -0.87 -0.06 0.95 -1.52 0.00 0.00 175.55 174.62 1pd5 s THR 9 N -3.56 3.79 0.60 -3.49 -4.23 -0.87 -4.93 115.64 102.95 1pd5 s THR 9 Ca 0.07 -0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 59.96 1pd5 s THR 9 Cb -0.02 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1pd5 s THR 9 CO -0.04 0.57 1.20 -0.89 -0.54 0.00 0.00 174.62 174.91 1pd5 s THR 10 N -0.47 2.69 -0.19 3.99 2.01 -1.26 -1.41 115.64 121.01 1pd5 s THR 10 Ca 0.07 0.42 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 1pd5 s THR 10 Cb -0.12 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1pd5 s THR 10 CO 0.02 -0.10 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.09 1pd5 s VAL 11 N -1.67 3.33 -0.85 3.82 1.01 0.57 -4.82 120.40 121.80 1pd5 s VAL 11 Ca 0.76 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 1pd5 s VAL 11 Cb -0.29 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1pd5 s VAL 11 CO 0.33 0.46 1.63 -0.62 0.00 0.00 0.00 175.10 176.90 1pd5 s ASP 12 N 1.03 5.81 0.46 3.32 3.68 -1.26 -4.68 116.67 125.04 1pd5 s ASP 12 Ca 0.00 -0.67 0.24 0.00 2.13 0.00 0.00 52.55 54.26 1pd5 s ASP 12 Cb -0.15 -2.56 1.10 0.00 -1.45 0.00 0.00 42.92 39.87 1pd5 s ASP 12 CO -0.00 -2.09 1.92 0.40 0.13 0.00 0.00 175.17 175.52 1pd5 h ILE 13 N 6.77 0.63 0.00 4.11 2.04 -1.95 -1.78 117.51 127.32 1pd5 h ILE 13 Ca -0.03 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1pd5 h ILE 13 Cb 1.05 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1pd5 h ILE 13 CO 1.30 0.20 0.00 0.77 0.00 0.00 0.00 178.15 180.42 1pd5 h SER 14 N 0.00 0.00 -0.22 1.72 4.64 -1.98 -2.96 113.55 114.75 1pd5 h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pd5 h SER 14 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1pd5 h SER 14 CO 0.03 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.66 1pd5 n GLN 15 N -2.51 1.85 -3.65 4.77 -0.06 -0.67 -4.96 117.38 112.15 1pd5 n GLN 15 Ca 0.01 -1.72 -0.36 0.00 -2.00 0.00 0.00 57.00 52.93 1pd5 n GLN 15 Cb 0.23 -1.28 -0.07 0.00 -4.06 0.00 0.00 30.24 25.05 1pd5 n GLN 15 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 1pd5 s TRP 16 N -1.04 3.45 0.66 3.69 -0.00 -1.12 -4.96 118.94 119.62 1pd5 s TRP 16 Ca 0.21 0.48 0.25 0.00 -0.00 0.00 0.00 56.10 57.04 1pd5 s TRP 16 Cb 0.13 -2.23 1.35 0.00 -0.00 0.00 0.00 33.47 32.72 1pd5 s TRP 16 CO 0.17 0.30 1.77 0.45 -0.00 0.00 0.00 176.95 179.64 1pd5 h HIS 17 N 6.52 0.00 -0.53 5.86 3.86 -1.93 0.11 115.15 129.04 1pd5 h HIS 17 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1pd5 h HIS 17 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1pd5 h HIS 17 CO 0.60 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.93 1pd5 n ARG 18 N -2.90 3.21 -0.21 2.45 1.74 -1.26 -4.71 116.66 114.98 1pd5 n ARG 18 Ca -0.01 -2.61 -0.02 0.00 -0.77 0.00 0.00 57.85 54.45 1pd5 n ARG 18 Cb 0.51 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.35 1pd5 n ARG 18 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1pd5 h LYS 19 N 3.23 -0.06 -0.42 5.56 3.64 -1.17 0.64 116.57 127.98 1pd5 h LYS 19 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1pd5 h LYS 19 Cb 1.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1pd5 h LYS 19 CO 0.12 -0.04 -0.11 0.93 -2.27 0.00 0.00 179.45 178.08 1pd5 h GLU 20 N -0.07 0.82 0.39 1.90 5.08 -1.84 0.27 114.58 121.13 1pd5 h GLU 20 Ca 0.28 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1pd5 h GLU 20 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1pd5 h GLU 20 CO -0.67 0.94 -0.27 0.45 -1.00 0.00 0.00 179.01 178.46 1pd5 h HIS 21 N 0.64 -0.71 -0.67 4.33 3.86 -1.42 0.89 115.15 122.07 1pd5 h HIS 21 Ca 0.11 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.44 1pd5 h HIS 21 Cb 0.64 0.26 -0.13 0.00 1.06 0.00 0.00 27.41 29.24 1pd5 h HIS 21 CO 0.05 -0.41 -0.21 0.35 0.86 0.00 0.00 177.93 178.57 1pd5 h PHE 22 N -0.65 -0.51 -0.64 2.45 3.04 0.64 0.52 116.94 121.80 1pd5 h PHE 22 Ca -0.04 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1pd5 h PHE 22 Cb 0.55 0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.35 1pd5 h PHE 22 CO -0.12 -0.32 0.31 0.93 -2.02 0.00 0.00 178.31 177.09 1pd5 h GLU 23 N -0.04 0.92 -0.26 1.11 5.08 -0.30 -0.93 114.58 120.15 1pd5 h GLU 23 Ca 0.31 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1pd5 h GLU 23 Cb 0.52 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1pd5 h GLU 23 CO -0.71 0.73 -0.02 0.00 -1.00 0.00 0.00 179.01 178.01 1pd5 h ALA 24 N 1.14 0.36 -0.02 3.43 0.00 0.55 -2.93 119.26 121.78 1pd5 h ALA 24 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pd5 h ALA 24 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pd5 h ALA 24 CO -0.03 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.54 1pd5 n PHE 25 N -4.58 0.03 0.38 0.00 0.99 0.77 -1.47 117.46 113.58 1pd5 n PHE 25 Ca -0.03 -0.01 0.12 0.00 -0.00 0.00 0.00 57.45 57.52 1pd5 n PHE 25 Cb 0.27 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.81 1pd5 n PHE 25 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1pd5 n GLN 26 N -0.64 0.42 0.00 -1.08 1.13 -0.36 -4.26 117.38 112.59 1pd5 n GLN 26 Ca 0.15 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1pd5 n GLN 26 Cb 0.11 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.75 1pd5 n GLN 26 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1pd5 n SER 27 N -2.28 0.00 0.09 1.08 3.41 -0.54 -4.87 113.62 110.50 1pd5 n SER 27 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.57 1pd5 n SER 27 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1pd5 n SER 27 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1pd5 h VAL 28 N 0.00 0.08 0.00 -3.33 3.04 -1.76 -2.53 116.25 111.76 1pd5 h VAL 28 Ca 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 1pd5 h VAL 28 Cb 0.00 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.42 1pd5 h VAL 28 CO 0.00 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.58 1pd5 n ALA 29 N -2.74 1.95 -1.73 3.17 0.00 -1.20 -4.92 120.51 115.04 1pd5 n ALA 29 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1pd5 n ALA 29 Cb 0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1pd5 n ALA 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pd5 s GLN 30 N 0.57 3.76 0.32 0.00 0.74 -0.95 -4.56 119.66 119.55 1pd5 s GLN 30 Ca 0.00 2.27 0.04 0.00 0.05 0.00 0.00 55.36 57.71 1pd5 s GLN 30 Cb 0.00 -4.21 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 1pd5 s GLN 30 CO 0.00 -1.38 0.16 0.00 -0.55 0.00 0.00 175.29 173.52 1pd5 s THR 32 N -3.52 1.73 0.01 0.00 -1.32 -1.26 -2.32 115.64 108.96 1pd5 s THR 32 Ca 0.34 -2.09 -0.05 0.00 -1.21 0.00 0.00 61.69 58.69 1pd5 s THR 32 Cb 0.04 -1.94 -0.01 0.00 -1.51 0.00 0.00 72.50 69.09 1pd5 s THR 32 CO 0.18 -0.50 0.08 -0.72 -2.21 0.00 0.00 174.62 171.44 1pd5 s TYR 33 N -2.63 0.14 0.11 9.09 -0.85 -0.35 -4.92 117.35 117.94 1pd5 s TYR 33 Ca 0.19 -0.32 0.07 0.00 -0.52 0.00 0.00 57.07 56.49 1pd5 s TYR 33 Cb -0.03 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1pd5 s TYR 33 CO 0.06 -0.27 -0.07 -0.80 -1.52 0.00 0.00 175.55 172.96 1pd5 s ASN 34 N -1.52 4.56 -0.18 -0.18 -0.87 -1.26 -2.23 114.94 113.26 1pd5 s ASN 34 Ca -0.14 -0.35 -0.24 0.00 -1.57 0.00 0.00 52.86 50.57 1pd5 s ASN 34 Cb -0.07 -0.93 0.06 0.00 -0.02 0.00 0.00 41.25 40.29 1pd5 s ASN 34 CO -0.00 0.16 0.62 0.00 -2.57 0.00 0.00 177.10 175.32 1pd5 s GLN 35 N -2.33 0.81 -0.01 -0.60 -2.07 -0.89 -4.98 119.66 109.59 1pd5 s GLN 35 Ca 0.23 0.67 0.06 0.00 -1.82 0.00 0.00 55.36 54.51 1pd5 s GLN 35 Cb -0.11 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1pd5 s GLN 35 CO 0.15 -0.15 -0.20 0.99 -1.32 0.00 0.00 175.29 174.76 1pd5 s THR 36 N -0.11 1.62 0.03 3.63 2.01 -1.26 -1.32 115.64 120.24 1pd5 s THR 36 Ca -0.03 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1pd5 s THR 36 Cb -0.03 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1pd5 s THR 36 CO 0.03 0.42 -0.07 0.54 -0.69 0.00 0.00 174.62 174.86 1pd5 s VAL 37 N -0.52 0.50 -0.84 3.82 0.11 -0.06 -4.99 120.40 118.42 1pd5 s VAL 37 Ca 0.08 -0.82 -0.19 0.00 -2.93 0.00 0.00 61.98 58.12 1pd5 s VAL 37 Cb -0.08 -0.53 0.12 0.00 -1.53 0.00 0.00 36.38 34.36 1pd5 s VAL 37 CO -0.00 -0.23 1.03 -1.10 -3.33 0.00 0.00 175.10 171.47 1pd5 s GLN 38 N -1.13 3.45 0.17 1.54 -1.52 -1.26 -0.62 119.66 120.29 1pd5 s GLN 38 Ca -0.06 -1.59 -0.30 0.00 -1.95 0.00 0.00 55.36 51.46 1pd5 s GLN 38 Cb -0.08 -4.69 -0.08 0.00 -0.22 0.00 0.00 33.01 27.95 1pd5 s GLN 38 CO 0.00 -1.73 1.24 -1.17 -0.25 0.00 0.00 175.29 173.38 1pd5 s LEU 39 N 2.77 4.43 -0.98 2.90 0.20 0.12 -4.72 118.68 123.41 1pd5 s LEU 39 Ca 0.27 2.26 -0.22 0.00 0.69 0.00 0.00 54.13 57.13 1pd5 s LEU 39 Cb -0.09 -3.60 0.08 0.00 -0.43 0.00 0.00 46.19 42.14 1pd5 s LEU 39 CO -0.04 -0.44 1.33 -0.62 -0.29 0.00 0.00 176.35 176.29 1pd5 s ASP 40 N 0.35 6.53 -0.18 3.68 3.68 -1.26 -0.47 116.67 129.00 1pd5 s ASP 40 Ca 0.55 -1.63 0.15 0.00 2.13 0.00 0.00 52.55 53.75 1pd5 s ASP 40 Cb -0.33 -2.51 0.73 0.00 -1.45 0.00 0.00 42.92 39.36 1pd5 s ASP 40 CO 0.36 -1.36 1.63 2.30 0.13 0.00 0.00 175.17 178.22 1pd5 n ILE 41 N 6.38 2.23 0.03 4.11 -5.35 -0.24 -4.62 119.36 121.90 1pd5 n ILE 41 Ca 0.29 -1.22 -0.13 0.00 -0.27 0.00 0.00 62.75 61.42 1pd5 n ILE 41 Cb 0.50 -0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.19 1pd5 n ILE 41 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1pd5 h THR 42 N 3.77 0.14 -0.22 7.28 2.02 -1.74 0.38 112.91 124.53 1pd5 h THR 42 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1pd5 h THR 42 Cb 1.68 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1pd5 h THR 42 CO 0.37 0.00 0.03 0.00 0.37 0.00 0.00 175.52 176.29 1pd5 h ALA 43 N 0.01 0.22 -0.12 6.16 0.00 -1.87 -2.77 119.26 120.88 1pd5 h ALA 43 Ca 0.06 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1pd5 h ALA 43 Cb 0.64 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1pd5 h ALA 43 CO -0.36 -0.39 -0.17 0.35 0.00 0.00 0.00 179.25 178.68 1pd5 h PHE 44 N 0.11 -0.44 -0.91 0.00 3.57 -1.32 -1.19 116.94 116.76 1pd5 h PHE 44 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1pd5 h PHE 44 Cb 0.11 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1pd5 h PHE 44 CO -0.16 -0.25 0.60 1.25 -2.23 0.00 0.00 178.31 177.52 1pd5 h LEU 45 N -0.22 1.01 -0.17 0.59 6.46 -0.19 -0.45 115.31 122.35 1pd5 h LEU 45 Ca 0.09 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 1pd5 h LEU 45 Cb 0.36 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1pd5 h LEU 45 CO -0.25 0.72 -0.28 0.11 -0.62 0.00 0.00 178.44 178.12 1pd5 h LYS 46 N 1.19 0.49 -0.43 1.25 1.57 -1.23 -1.97 116.57 117.43 1pd5 h LYS 46 Ca 0.35 -0.30 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1pd5 h LYS 46 Cb -0.07 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 1pd5 h LYS 46 CO -0.10 0.90 -0.20 1.15 -0.57 0.00 0.00 179.45 180.63 1pd5 h THR 47 N 0.13 0.41 -0.83 -0.16 2.02 -0.77 -1.03 112.91 112.68 1pd5 h THR 47 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1pd5 h THR 47 Cb 0.86 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1pd5 h THR 47 CO 0.06 0.00 0.46 0.58 0.37 0.00 0.00 175.52 177.00 1pd5 h VAL 48 N -0.11 1.24 0.25 3.16 2.07 -0.87 -2.28 116.25 119.72 1pd5 h VAL 48 Ca 0.21 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1pd5 h VAL 48 Cb 0.43 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1pd5 h VAL 48 CO -0.50 0.27 -0.12 0.11 0.02 0.00 0.00 177.57 177.35 1pd5 h LYS 49 N 1.16 -0.33 -0.02 1.57 1.57 -1.06 -1.91 116.57 117.56 1pd5 h LYS 49 Ca 0.30 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1pd5 h LYS 49 Cb 0.02 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1pd5 h LYS 49 CO -0.05 0.01 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.52 1pd5 h LYS 50 N -0.72 -0.16 -7.51 3.15 3.64 -1.11 -3.38 116.57 110.48 1pd5 h LYS 50 Ca -0.03 0.01 -0.43 0.00 -1.27 0.00 0.00 60.65 58.93 1pd5 h LYS 50 Cb 0.49 0.04 0.18 0.00 -0.41 0.00 0.00 32.23 32.52 1pd5 h LYS 50 CO 0.06 -0.11 0.22 -0.80 -2.27 0.00 0.00 179.45 176.55 1pd5 s ASN 51 N -5.06 1.68 -0.69 4.20 0.01 -0.87 -4.95 114.94 109.27 1pd5 s ASN 51 Ca -0.14 0.57 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 1pd5 s ASN 51 Cb 0.08 -0.79 0.36 0.00 0.41 0.00 0.00 41.25 41.31 1pd5 s ASN 51 CO 0.67 -3.65 1.42 0.29 -1.51 0.00 0.00 177.10 174.32 1pd5 n LYS 52 N -4.43 3.62 -3.77 -0.60 5.02 -1.25 -4.79 118.16 111.97 1pd5 n LYS 52 Ca 0.13 -4.41 -0.37 0.00 -2.02 0.00 0.00 58.31 51.64 1pd5 n LYS 52 Cb 0.59 -2.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 1pd5 n LYS 52 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pd5 s HIS 53 N -3.81 3.63 0.14 2.13 3.76 -0.72 -5.04 115.29 115.39 1pd5 s HIS 53 Ca 0.47 0.66 -0.31 0.00 -0.15 0.00 0.00 55.06 55.73 1pd5 s HIS 53 Cb 0.34 -2.04 -0.10 0.00 1.11 0.00 0.00 32.58 31.88 1pd5 s HIS 53 CO -0.22 0.71 1.76 0.15 -0.85 0.00 0.00 174.74 176.28 1pd5 s LYS 54 N -1.09 4.15 0.10 1.40 1.02 -1.26 -4.72 119.74 119.35 1pd5 s LYS 54 Ca 0.18 2.54 -0.25 0.00 0.02 0.00 0.00 55.97 58.46 1pd5 s LYS 54 Cb -0.13 -3.43 -0.10 0.00 -0.52 0.00 0.00 37.83 33.64 1pd5 s LYS 54 CO 0.07 -0.78 1.68 0.35 -0.92 0.00 0.00 175.35 175.75 1pd5 h PHE 55 N 7.97 -0.35 0.65 3.18 3.57 -1.96 -3.00 116.94 127.00 1pd5 h PHE 55 Ca -0.44 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1pd5 h PHE 55 Cb 1.21 0.15 0.01 0.00 2.79 0.00 0.00 35.95 40.10 1pd5 h PHE 55 CO 0.74 -0.20 -0.31 -0.92 -2.23 0.00 0.00 178.31 175.38 1pd5 h TYR 56 N -0.26 -0.81 -0.58 0.41 3.20 -1.98 0.13 116.97 117.08 1pd5 h TYR 56 Ca 0.02 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1pd5 h TYR 56 Cb 0.29 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1pd5 h TYR 56 CO -0.16 -0.46 0.30 -1.00 -1.64 0.00 0.00 178.16 175.20 1pd5 h PRO 57 N -1.07 0.80 -0.90 1.82 0.13 -1.99 0.72 132.00 131.52 1pd5 h PRO 57 Ca -0.09 -0.09 0.08 0.00 -0.87 0.00 0.00 66.00 65.03 1pd5 h PRO 57 Cb 0.71 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 31.61 1pd5 h PRO 57 CO 0.15 0.60 0.55 0.00 -0.23 0.00 0.00 178.00 179.08 1pd5 h ALA 58 N 1.52 1.27 0.00 -0.56 0.00 -1.30 -0.56 119.26 119.63 1pd5 h ALA 58 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pd5 h ALA 58 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1pd5 h ALA 58 CO -0.03 0.26 -0.00 0.35 0.00 0.00 0.00 179.25 179.83 1pd5 h PHE 59 N 0.97 0.00 -1.11 0.00 3.57 0.10 -2.96 116.94 117.51 1pd5 h PHE 59 Ca 0.41 -0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.24 1pd5 h PHE 59 Cb 0.26 -0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.88 1pd5 h PHE 59 CO -0.03 0.84 0.70 0.82 -2.23 0.00 0.00 178.31 178.41 1pd5 h ILE 60 N -0.83 0.34 -0.04 1.41 2.04 0.59 0.20 117.51 121.21 1pd5 h ILE 60 Ca -0.00 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1pd5 h ILE 60 Cb 0.84 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1pd5 h ILE 60 CO 0.00 0.05 -0.62 -0.74 0.00 0.00 0.00 178.15 176.84 1pd5 h HIS 61 N 0.29 0.21 0.26 1.37 2.76 -1.01 -0.16 115.15 118.87 1pd5 h HIS 61 Ca 0.70 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.78 1pd5 h HIS 61 Cb 1.86 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.79 1pd5 h HIS 61 CO -0.01 0.74 -0.13 0.82 -1.30 0.00 0.00 177.93 178.05 1pd5 h ILE 62 N 0.12 0.78 -0.96 6.26 2.04 -0.46 -0.35 117.51 124.95 1pd5 h ILE 62 Ca -0.01 -0.54 0.24 0.00 1.00 0.00 0.00 64.86 65.54 1pd5 h ILE 62 Cb 1.12 1.08 -0.18 0.00 -0.74 0.00 0.00 36.82 38.10 1pd5 h ILE 62 CO 0.09 0.11 -0.08 0.18 0.00 0.00 0.00 178.15 178.46 1pd5 n LEU 63 N -5.12 -0.20 -0.01 1.44 4.77 -1.01 -0.94 117.00 115.93 1pd5 n LEU 63 Ca -0.09 1.64 -0.08 0.00 -0.03 0.00 0.00 56.01 57.44 1pd5 n LEU 63 Cb 0.24 -0.56 0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1pd5 n LEU 63 CO 0.32 -1.63 0.54 0.00 -1.33 0.00 0.00 177.39 175.29 1pd5 h ALA 64 N 1.92 0.77 -0.19 -1.18 0.00 -0.80 0.77 119.26 120.56 1pd5 h ALA 64 Ca 0.54 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1pd5 h ALA 64 Cb 1.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1pd5 h ALA 64 CO -0.94 0.67 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1pd5 h ARG 65 N 0.46 0.06 -0.21 0.00 3.08 0.05 -2.27 114.38 115.56 1pd5 h ARG 65 Ca 0.03 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1pd5 h ARG 65 Cb 0.99 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 1pd5 h ARG 65 CO 0.09 0.04 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.90 1pd5 h LEU 66 N 0.06 -0.21 -2.27 3.04 3.38 0.00 0.11 115.31 119.43 1pd5 h LEU 66 Ca 0.09 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1pd5 h LEU 66 Cb 0.11 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pd5 h LEU 66 CO -0.15 -0.08 -0.05 0.24 0.09 0.00 0.00 178.44 178.50 1pd5 h MET 67 N -0.01 0.00 -0.72 1.13 2.86 -0.82 -0.46 114.93 116.90 1pd5 h MET 67 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1pd5 h MET 67 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1pd5 h MET 67 CO -0.22 0.05 0.00 0.09 1.06 0.00 0.00 176.91 177.89 1pd5 n ASN 68 N -3.42 4.08 -0.10 1.22 3.02 0.27 -3.81 115.26 116.52 1pd5 n ASN 68 Ca -0.02 -2.08 0.02 0.00 -0.03 0.00 0.00 54.58 52.46 1pd5 n ASN 68 Cb 0.17 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 38.84 1pd5 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pd5 n ALA 69 N 1.55 2.47 -3.63 5.41 0.00 -0.19 -4.97 120.51 121.16 1pd5 n ALA 69 Ca 0.25 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1pd5 n ALA 69 Cb 0.67 -0.12 -0.17 0.00 0.00 0.00 0.00 19.45 19.83 1pd5 n ALA 69 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pd5 s HIS 70 N -0.60 0.02 0.43 0.00 3.76 -1.21 -5.05 115.29 112.64 1pd5 s HIS 70 Ca 0.03 0.12 0.17 0.00 -0.15 0.00 0.00 55.06 55.23 1pd5 s HIS 70 Cb 0.03 -0.50 1.05 0.00 1.11 0.00 0.00 32.58 34.27 1pd5 s HIS 70 CO 0.07 -0.37 1.98 -1.00 -0.85 0.00 0.00 174.74 174.58 1pd5 h PRO 71 N 8.40 0.00 0.00 8.40 0.13 -1.93 -2.82 132.00 144.18 1pd5 h PRO 71 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1pd5 h PRO 71 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1pd5 h PRO 71 CO 0.21 0.20 -0.00 1.05 -0.23 0.00 0.00 178.00 179.23 1pd5 h GLU 72 N 0.00 0.00 -0.10 0.86 9.09 -1.92 0.33 114.58 122.84 1pd5 h GLU 72 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pd5 h GLU 72 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1pd5 h GLU 72 CO 0.03 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.28 1pd5 n PHE 73 N -3.14 0.12 -1.84 2.06 3.01 -1.06 -4.13 117.46 112.48 1pd5 n PHE 73 Ca -0.03 -0.06 0.05 0.00 1.01 0.00 0.00 57.45 58.43 1pd5 n PHE 73 Cb 0.09 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.71 1pd5 n PHE 73 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pd5 n ARG 74 N 0.18 1.06 -2.77 -1.08 1.74 0.10 -4.59 116.66 111.30 1pd5 n ARG 74 Ca 0.17 -2.82 -0.23 0.00 -0.77 0.00 0.00 57.85 54.21 1pd5 n ARG 74 Cb 0.32 -1.11 0.02 0.00 -1.02 0.00 0.00 32.46 30.67 1pd5 n ARG 74 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1pd5 s MET 75 N -2.18 2.84 0.04 5.56 -1.94 -1.24 -1.12 119.30 121.25 1pd5 s MET 75 Ca 0.35 -0.52 -0.27 0.00 -1.71 0.00 0.00 55.69 53.54 1pd5 s MET 75 Cb 0.36 -2.48 0.09 0.00 2.01 0.00 0.00 34.83 34.81 1pd5 s MET 75 CO -0.09 -0.51 0.80 0.00 -0.01 0.00 0.00 175.02 175.21 1pd5 s ALA 76 N -2.70 -1.76 -0.19 3.03 0.00 -0.39 -4.59 121.76 115.16 1pd5 s ALA 76 Ca 0.52 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1pd5 s ALA 76 Cb -0.10 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1pd5 s ALA 76 CO 0.39 -0.69 0.52 -1.64 0.00 0.00 0.00 175.76 174.34 1pd5 s MET 77 N -3.19 4.22 -0.21 0.00 -1.94 -1.26 -0.96 119.30 115.96 1pd5 s MET 77 Ca 0.03 0.44 0.02 0.00 -1.71 0.00 0.00 55.69 54.47 1pd5 s MET 77 Cb -0.01 -3.54 0.04 0.00 2.01 0.00 0.00 34.83 33.32 1pd5 s MET 77 CO -0.09 -0.11 -0.16 0.21 -0.01 0.00 0.00 175.02 174.86 1pd5 s LYS 78 N 1.50 2.63 -1.17 2.03 2.20 0.09 -4.79 119.74 122.23 1pd5 s LYS 78 Ca 0.25 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1pd5 s LYS 78 Cb -0.15 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1pd5 s LYS 78 CO 0.10 -0.35 0.15 -0.25 -0.36 0.00 0.00 175.35 174.64 1pd5 n ASP 79 N 4.57 -4.50 0.00 1.43 10.43 -1.26 -1.64 116.55 125.57 1pd5 n ASP 79 Ca -0.18 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.10 1pd5 n ASP 79 Cb 0.47 -3.55 0.00 0.00 1.84 0.00 0.00 41.12 39.88 1pd5 n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pd5 n GLY 80 N -1.11 0.87 3.69 0.44 0.00 -1.26 -5.02 105.19 102.80 1pd5 n GLY 80 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1pd5 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pd5 s GLU 81 N -0.05 2.46 -0.01 1.61 2.02 -0.65 -5.10 118.70 118.97 1pd5 s GLU 81 Ca 0.00 -1.31 -0.26 0.00 0.02 0.00 0.00 54.97 53.43 1pd5 s GLU 81 Cb 0.00 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1pd5 s GLU 81 CO 0.00 0.38 0.80 -1.17 0.02 0.00 0.00 175.26 175.29 1pd5 s LEU 82 N -3.67 4.38 -0.04 1.80 2.96 -1.26 -0.73 118.68 122.11 1pd5 s LEU 82 Ca 0.32 1.41 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 1pd5 s LEU 82 Cb -0.07 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1pd5 s LEU 82 CO 0.21 -0.11 0.13 0.54 -1.32 0.00 0.00 176.35 175.81 1pd5 s VAL 83 N 0.55 0.01 -0.41 1.68 0.11 -0.14 -0.32 120.40 121.88 1pd5 s VAL 83 Ca 0.42 -0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 1pd5 s VAL 83 Cb -0.20 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1pd5 s VAL 83 CO 0.22 -0.04 0.35 -0.63 -3.33 0.00 0.00 175.10 171.67 1pd5 s ILE 84 N -0.08 5.19 0.59 7.04 1.01 -0.50 -1.26 121.20 133.19 1pd5 s ILE 84 Ca -0.02 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 1pd5 s ILE 84 Cb -0.02 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1pd5 s ILE 84 CO 0.00 -0.33 1.29 0.26 0.00 0.00 0.00 174.94 176.16 1pd5 s TRP 85 N 1.86 2.27 0.31 3.97 0.52 -0.28 -2.06 118.94 125.54 1pd5 s TRP 85 Ca 0.08 1.45 -0.00 0.00 0.02 0.00 0.00 56.10 57.65 1pd5 s TRP 85 Cb -0.18 -3.67 0.51 0.00 -1.15 0.00 0.00 33.47 28.98 1pd5 s TRP 85 CO 0.11 -2.68 1.97 -0.44 0.02 0.00 0.00 176.95 175.94 1pd5 h ASP 86 N 1.05 0.88 -5.04 2.95 3.45 -1.43 -3.45 116.42 114.84 1pd5 h ASP 86 Ca -0.51 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 56.87 1pd5 h ASP 86 Cb 1.31 -0.22 -0.16 0.00 -0.56 0.00 0.00 39.33 39.71 1pd5 h ASP 86 CO 0.55 0.63 -0.06 -0.94 -1.57 0.00 0.00 179.24 177.86 1pd5 s SER 87 N -6.31 -0.32 0.05 6.45 1.04 -1.26 -5.07 113.70 108.28 1pd5 s SER 87 Ca -0.11 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.38 1pd5 s SER 87 Cb 0.18 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1pd5 s SER 87 CO 0.79 -0.72 -0.21 0.68 0.98 0.00 0.00 173.24 174.76 1pd5 s VAL 88 N -2.75 1.68 -0.19 5.02 -7.23 -1.26 -4.91 120.40 110.77 1pd5 s VAL 88 Ca -0.04 -1.25 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1pd5 s VAL 88 Cb -0.00 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 1pd5 s VAL 88 CO -0.04 0.17 -0.02 -1.00 -0.31 0.00 0.00 175.10 173.90 1pd5 s HIS 89 N -0.85 3.03 0.26 2.82 3.76 0.20 -4.65 115.29 119.86 1pd5 s HIS 89 Ca 0.07 -0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 54.25 1pd5 s HIS 89 Cb -0.09 -2.04 -0.12 0.00 1.11 0.00 0.00 32.58 31.44 1pd5 s HIS 89 CO 0.02 -0.18 1.63 -0.35 -0.85 0.00 0.00 174.74 175.01 1pd5 n PRO 90 N 4.02 2.70 -4.00 8.40 -0.04 -1.26 -2.52 135.00 142.30 1pd5 n PRO 90 Ca -0.17 0.96 -0.33 0.00 -0.04 0.00 0.00 63.50 63.92 1pd5 n PRO 90 Cb 0.52 -2.76 -0.14 0.00 -0.04 0.00 0.00 33.50 31.07 1pd5 n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pd5 s TYR 92 N 1.11 2.46 0.26 0.00 -0.85 0.25 -0.53 117.35 120.05 1pd5 s TYR 92 Ca -0.03 -0.37 -0.09 0.00 -0.52 0.00 0.00 57.07 56.06 1pd5 s TYR 92 Cb -0.20 -1.24 -0.07 0.00 0.38 0.00 0.00 41.96 40.84 1pd5 s TYR 92 CO -0.04 0.61 0.57 0.95 -1.52 0.00 0.00 175.55 176.12 1pd5 s THR 93 N -2.50 4.94 -0.08 -3.49 -4.23 -0.98 -1.53 115.64 107.77 1pd5 s THR 93 Ca 0.32 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1pd5 s THR 93 Cb -0.03 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1pd5 s THR 93 CO 0.17 -0.18 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.31 1pd5 s VAL 94 N -1.94 0.90 -0.14 2.29 1.01 0.89 -4.80 120.40 118.60 1pd5 s VAL 94 Ca 0.47 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1pd5 s VAL 94 Cb -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1pd5 s VAL 94 CO 0.24 0.33 0.18 0.12 0.00 0.00 0.00 175.10 175.97 1pd5 s PHE 95 N 1.33 3.53 -0.68 5.22 5.36 -1.26 -0.56 117.98 130.92 1pd5 s PHE 95 Ca -0.03 0.51 -0.11 0.00 -0.96 0.00 0.00 56.93 56.34 1pd5 s PHE 95 Cb -0.14 -2.09 0.18 0.00 -0.34 0.00 0.00 43.02 40.63 1pd5 s PHE 95 CO -0.03 0.51 0.58 -1.01 -1.46 0.00 0.00 175.22 173.82 1pd5 s HIS 96 N -0.37 3.55 0.30 10.12 3.76 0.73 -5.00 115.29 128.39 1pd5 s HIS 96 Ca 0.13 -2.02 0.06 0.00 -0.15 0.00 0.00 55.06 53.09 1pd5 s HIS 96 Cb -0.12 -3.63 0.82 0.00 1.11 0.00 0.00 32.58 30.76 1pd5 s HIS 96 CO 0.03 -0.96 1.67 0.93 -0.85 0.00 0.00 174.74 175.55 1pd5 h GLU 97 N 7.91 0.31 -0.09 1.40 4.39 -1.97 0.47 114.58 127.00 1pd5 h GLU 97 Ca -0.04 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.69 1pd5 h GLU 97 Cb 1.04 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.56 1pd5 h GLU 97 CO 0.81 0.21 -0.31 1.96 -1.16 0.00 0.00 179.01 180.52 1pd5 h GLN 98 N 0.32 -0.39 0.00 2.33 1.08 -1.95 -3.21 115.11 113.29 1pd5 h GLN 98 Ca 0.61 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.83 1pd5 h GLN 98 Cb 1.25 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1pd5 h GLN 98 CO -0.59 -0.26 -1.70 0.25 -0.95 0.00 0.00 178.83 175.58 1pd5 n THR 99 N -5.40 0.08 -3.10 -0.54 -2.24 -1.11 -4.98 114.28 96.99 1pd5 n THR 99 Ca -0.04 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 1pd5 n THR 99 Cb 0.32 0.10 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1pd5 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pd5 n GLU 100 N -2.19 -4.84 -4.57 -0.78 1.02 0.14 -5.02 120.64 104.39 1pd5 n GLU 100 Ca -0.02 0.54 -0.27 0.00 -0.02 0.00 0.00 57.16 57.39 1pd5 n GLU 100 Cb 0.53 -4.68 -0.09 0.00 -0.02 0.00 0.00 31.44 27.18 1pd5 n GLU 100 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1pd5 s THR 101 N -3.22 0.93 0.14 2.62 -4.23 -1.20 -4.99 115.64 105.71 1pd5 s THR 101 Ca 0.24 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1pd5 s THR 101 Cb -0.11 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1pd5 s THR 101 CO 0.47 0.00 0.15 0.72 -0.54 0.00 0.00 174.62 175.42 1pd5 s PHE 102 N -3.11 0.68 0.20 3.99 -0.12 -1.26 -0.19 117.98 118.16 1pd5 s PHE 102 Ca 0.22 -1.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.06 1pd5 s PHE 102 Cb 0.04 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 1pd5 s PHE 102 CO 0.12 -0.60 0.04 -1.12 -0.05 0.00 0.00 175.22 173.61 1pd5 s SER 103 N -3.02 1.08 -0.07 1.98 0.01 0.28 -4.67 113.70 109.29 1pd5 s SER 103 Ca 0.21 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 56.27 1pd5 s SER 103 Cb 0.06 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.44 1pd5 s SER 103 CO 0.01 -0.64 -0.22 -0.44 0.41 0.00 0.00 173.24 172.36 1pd5 s SER 104 N -3.20 2.76 0.05 2.44 0.01 -0.61 0.30 113.70 115.46 1pd5 s SER 104 Ca 0.29 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.10 1pd5 s SER 104 Cb 0.07 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1pd5 s SER 104 CO 0.07 0.17 -0.10 -0.76 0.41 0.00 0.00 173.24 173.03 1pd5 s LEU 105 N 0.19 2.26 0.23 2.44 1.02 -0.58 -4.28 118.68 119.96 1pd5 s LEU 105 Ca -0.12 -0.57 0.07 0.00 0.02 0.00 0.00 54.13 53.53 1pd5 s LEU 105 Cb -0.15 -0.29 -0.05 0.00 0.02 0.00 0.00 46.19 45.71 1pd5 s LEU 105 CO 0.06 -0.15 -0.10 -1.66 0.02 0.00 0.00 176.35 174.51 1pd5 s TRP 106 N -1.32 1.74 -0.08 0.29 1.48 -1.26 0.85 118.94 120.63 1pd5 s TRP 106 Ca -0.07 -0.65 -0.04 0.00 -1.06 0.00 0.00 56.10 54.28 1pd5 s TRP 106 Cb -0.10 -0.89 0.04 0.00 -1.16 0.00 0.00 33.47 31.37 1pd5 s TRP 106 CO 0.01 0.28 0.18 -1.12 -4.06 0.00 0.00 176.95 172.24 1pd5 s SER 107 N -3.34 0.03 -0.32 -2.66 0.01 -0.99 -4.98 113.70 101.45 1pd5 s SER 107 Ca 0.25 0.37 -0.41 0.00 1.31 0.00 0.00 55.95 57.47 1pd5 s SER 107 Cb 0.01 0.28 -0.18 0.00 0.21 0.00 0.00 66.02 66.34 1pd5 s SER 107 CO 0.08 -0.17 1.30 1.21 0.41 0.00 0.00 173.24 176.07 1pd5 n GLU 108 N 4.48 0.00 -1.77 12.44 2.13 -1.26 -4.00 120.64 132.65 1pd5 n GLU 108 Ca -0.21 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.20 1pd5 n GLU 108 Cb 0.51 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 30.88 1pd5 n GLU 108 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1pd5 s TYR 109 N 1.91 2.48 -0.02 4.31 5.04 -1.26 -4.90 117.35 124.90 1pd5 s TYR 109 Ca 0.91 1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 56.72 1pd5 s TYR 109 Cb -1.29 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 37.03 1pd5 s TYR 109 CO 0.67 -3.06 0.06 -1.01 -1.34 0.00 0.00 175.55 170.88 1pd5 s HIS 110 N -1.16 -0.04 0.29 4.97 3.76 -1.26 -5.00 115.29 116.85 1pd5 s HIS 110 Ca 0.58 0.11 0.05 0.00 -0.15 0.00 0.00 55.06 55.65 1pd5 s HIS 110 Cb -0.46 0.01 0.71 0.00 1.11 0.00 0.00 32.58 33.95 1pd5 s HIS 110 CO 0.60 -0.05 1.76 -0.44 -0.85 0.00 0.00 174.74 175.76 1pd5 h ASP 111 N 5.89 0.67 -3.46 1.40 3.32 -1.99 -3.41 116.42 118.84 1pd5 h ASP 111 Ca -0.25 0.11 -0.60 0.00 0.02 0.00 0.00 57.03 56.30 1pd5 h ASP 111 Cb 1.21 -0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1pd5 h ASP 111 CO 0.46 0.21 0.12 -0.62 -1.72 0.00 0.00 179.24 177.70 1pd5 s ASP 112 N -5.36 6.60 0.16 6.45 2.15 -1.26 -4.98 116.67 120.43 1pd5 s ASP 112 Ca -0.11 0.73 -0.16 0.00 0.43 0.00 0.00 52.55 53.44 1pd5 s ASP 112 Cb 0.25 -2.33 0.04 0.00 -0.30 0.00 0.00 42.92 40.57 1pd5 s ASP 112 CO 0.79 -0.32 1.79 0.15 -0.17 0.00 0.00 175.17 177.41 1pd5 h PHE 113 N 7.74 0.38 -0.70 -5.34 3.57 -2.00 -0.43 116.94 120.16 1pd5 h PHE 113 Ca -0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1pd5 h PHE 113 Cb 1.13 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1pd5 h PHE 113 CO 0.74 0.21 0.45 0.00 -2.23 0.00 0.00 178.31 177.48 1pd5 h ARG 114 N 0.42 0.93 0.13 1.11 3.08 -1.94 0.47 114.38 118.57 1pd5 h ARG 114 Ca 0.16 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1pd5 h ARG 114 Cb 0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1pd5 h ARG 114 CO -0.09 0.63 -0.06 -0.56 -1.07 0.00 0.00 179.97 178.81 1pd5 h GLN 115 N 0.95 -0.16 -0.81 0.04 3.07 -1.77 -2.84 115.11 113.58 1pd5 h GLN 115 Ca 0.25 0.01 0.20 0.00 0.09 0.00 0.00 58.65 59.20 1pd5 h GLN 115 Cb -0.09 0.04 -0.13 0.00 0.08 0.00 0.00 27.48 27.38 1pd5 h GLN 115 CO -0.05 0.03 0.17 0.35 0.09 0.00 0.00 178.83 179.41 1pd5 h PHE 116 N -0.33 0.24 -0.57 0.06 3.57 -0.21 0.10 116.94 119.81 1pd5 h PHE 116 Ca -0.02 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1pd5 h PHE 116 Cb 0.27 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1pd5 h PHE 116 CO -0.02 -0.18 0.36 1.25 -2.23 0.00 0.00 178.31 177.49 1pd5 h LEU 117 N 0.20 0.60 -0.87 0.59 6.46 0.07 0.10 115.31 122.47 1pd5 h LEU 117 Ca 0.48 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.17 1pd5 h LEU 117 Cb 0.91 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 1pd5 h LEU 117 CO -0.62 0.43 0.07 -0.74 -0.62 0.00 0.00 178.44 176.96 1pd5 h HIS 118 N 0.72 0.96 -0.49 1.25 2.76 -0.61 0.49 115.15 120.23 1pd5 h HIS 118 Ca 0.22 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1pd5 h HIS 118 Cb -0.03 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 1pd5 h HIS 118 CO -0.05 0.83 0.11 0.82 -1.30 0.00 0.00 177.93 178.35 1pd5 h ILE 119 N 0.86 1.24 -0.40 6.26 2.04 0.03 0.16 117.51 127.70 1pd5 h ILE 119 Ca 0.17 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 1pd5 h ILE 119 Cb 0.41 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1pd5 h ILE 119 CO 0.01 0.31 0.03 0.22 0.00 0.00 0.00 178.15 178.72 1pd5 h TYR 120 N 0.68 0.73 -0.45 1.37 3.20 -0.15 -0.16 116.97 122.18 1pd5 h TYR 120 Ca 0.15 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1pd5 h TYR 120 Cb 0.34 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1pd5 h TYR 120 CO 0.02 0.74 -0.05 0.77 -1.64 0.00 0.00 178.16 178.00 1pd5 h SER 121 N 0.52 0.83 -1.00 -2.11 0.02 0.36 0.66 113.55 112.83 1pd5 h SER 121 Ca 0.12 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1pd5 h SER 121 Cb 0.42 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1pd5 h SER 121 CO 0.01 0.97 0.66 1.56 -1.14 0.00 0.00 176.83 178.89 1pd5 h GLN 122 N 0.68 1.24 -0.14 3.45 4.20 -0.20 -1.14 115.11 123.21 1pd5 h GLN 122 Ca 0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1pd5 h GLN 122 Cb 0.58 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1pd5 h GLN 122 CO 0.03 0.82 0.03 -0.44 -0.67 0.00 0.00 178.83 178.61 1pd5 h ASP 123 N 1.28 0.21 -0.52 1.46 3.32 0.58 0.16 116.42 122.91 1pd5 h ASP 123 Ca 0.40 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1pd5 h ASP 123 Cb -0.02 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1pd5 h ASP 123 CO -0.12 0.40 0.11 0.58 -1.72 0.00 0.00 179.24 178.48 1pd5 h VAL 124 N 0.02 1.25 0.28 -1.35 2.07 0.39 -0.95 116.25 117.96 1pd5 h VAL 124 Ca 0.04 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1pd5 h VAL 124 Cb 0.27 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1pd5 h VAL 124 CO 0.00 0.33 -0.14 0.00 0.02 0.00 0.00 177.57 177.77 1pd5 h ALA 125 N 0.99 -0.39 -0.85 1.67 0.00 -0.83 0.20 119.26 120.05 1pd5 h ALA 125 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1pd5 h ALA 125 Cb 0.37 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1pd5 h ALA 125 CO 0.01 -0.72 0.56 0.00 0.00 0.00 0.00 179.25 179.10 1pd5 n TYR 127 N -4.44 0.00 0.44 0.00 4.01 -0.37 -4.78 117.16 112.02 1pd5 n TYR 127 Ca 0.11 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.87 1pd5 n TYR 127 Cb 0.10 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.22 1pd5 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pd5 n GLY 128 N 0.37 -0.22 0.00 2.72 0.00 0.69 -0.44 105.19 108.30 1pd5 n GLY 128 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pd5 n GLY 128 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pd5 n GLU 129 N -0.72 6.04 -2.63 1.61 4.07 -1.26 -4.91 120.64 122.84 1pd5 n GLU 129 Ca 0.02 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.70 1pd5 n GLU 129 Cb 0.01 -0.52 -0.02 0.00 -0.06 0.00 0.00 31.44 30.84 1pd5 n GLU 129 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1pd5 s ASN 130 N -1.04 7.16 0.00 4.31 3.84 0.42 -4.94 114.94 124.68 1pd5 s ASN 130 Ca 0.00 1.55 0.22 0.00 0.21 0.00 0.00 52.86 54.84 1pd5 s ASN 130 Cb 0.00 -2.55 1.30 0.00 -0.55 0.00 0.00 41.25 39.45 1pd5 s ASN 130 CO 0.00 -0.54 1.83 0.18 -2.79 0.00 0.00 177.10 175.78 1pd5 n LEU 131 N 5.46 0.00 -4.77 3.21 4.77 -1.26 -4.82 117.00 119.59 1pd5 n LEU 131 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.68 1pd5 n LEU 131 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1pd5 n LEU 131 CO 0.53 0.00 1.00 0.00 -1.33 0.00 0.00 177.39 177.59 1pd5 s ALA 132 N -2.00 3.31 0.19 -1.18 0.00 -1.26 -4.90 121.76 115.92 1pd5 s ALA 132 Ca 0.33 1.31 -0.23 0.00 0.00 0.00 0.00 51.96 53.37 1pd5 s ALA 132 Cb 0.15 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.85 1pd5 s ALA 132 CO 0.25 -0.90 1.57 -0.92 0.00 0.00 0.00 175.76 175.76 1pd5 h TYR 133 N 2.71 -1.20 -2.34 0.00 3.20 -1.88 -3.31 116.97 114.16 1pd5 h TYR 133 Ca -0.50 0.09 -0.70 0.00 3.14 0.00 0.00 58.73 60.76 1pd5 h TYR 133 Cb 1.25 0.63 -0.35 0.00 1.54 0.00 0.00 36.73 39.80 1pd5 h TYR 133 CO 0.53 -0.40 0.17 1.19 -1.64 0.00 0.00 178.16 178.00 1pd5 n PHE 134 N -5.42 3.30 -0.09 -3.82 3.01 -1.26 -1.57 117.46 111.62 1pd5 n PHE 134 Ca 0.05 -3.31 0.03 0.00 1.01 0.00 0.00 57.45 55.23 1pd5 n PHE 134 Cb 0.36 -0.86 0.06 0.00 -0.01 0.00 0.00 39.48 39.03 1pd5 n PHE 134 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1pd5 n PRO 135 N 0.15 -0.02 -0.46 -1.08 -0.01 -1.25 -0.46 135.00 131.88 1pd5 n PRO 135 Ca 0.36 0.40 0.08 0.00 -0.01 0.00 0.00 63.50 64.33 1pd5 n PRO 135 Cb 0.34 -0.62 0.28 0.00 -0.01 0.00 0.00 33.50 33.48 1pd5 n PRO 135 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1pd5 n LYS 136 N -4.23 3.33 -1.27 -0.52 5.02 -1.26 -5.04 118.16 114.19 1pd5 n LYS 136 Ca 0.06 -2.67 0.17 0.00 -2.02 0.00 0.00 58.31 53.84 1pd5 n LYS 136 Cb 0.18 -1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 33.40 1pd5 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd5 n GLY 137 N 0.42 -2.20 3.95 0.72 0.00 0.40 -4.93 105.19 103.55 1pd5 n GLY 137 Ca 0.21 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 1pd5 n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pd5 s PHE 138 N -2.60 3.48 0.32 1.61 -0.12 -1.26 -4.79 117.98 114.62 1pd5 s PHE 138 Ca 0.00 0.13 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 1pd5 s PHE 138 Cb 0.00 -1.68 -0.06 0.00 -0.63 0.00 0.00 43.02 40.65 1pd5 s PHE 138 CO 0.00 0.48 0.07 0.96 -0.05 0.00 0.00 175.22 176.68 1pd5 s ILE 139 N -1.80 1.10 -0.92 -4.49 -4.36 -1.26 -5.06 121.20 104.41 1pd5 s ILE 139 Ca 0.35 -2.00 0.25 0.00 -0.26 0.00 0.00 60.65 58.99 1pd5 s ILE 139 Cb -0.11 -2.76 0.22 0.00 1.25 0.00 0.00 42.46 41.07 1pd5 s ILE 139 CO 0.29 0.00 1.78 -1.84 0.24 0.00 0.00 174.94 175.41 1pd5 n GLU 140 N -0.68 0.06 -2.62 0.37 0.28 -1.26 -4.20 120.64 112.59 1pd5 n GLU 140 Ca -0.02 0.12 -0.18 0.00 -0.16 0.00 0.00 57.16 56.92 1pd5 n GLU 140 Cb 0.66 -1.58 0.01 0.00 1.43 0.00 0.00 31.44 31.97 1pd5 n GLU 140 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1pd5 n ASN 141 N -1.68 2.95 -4.80 -1.84 6.94 -1.26 -5.04 115.26 110.54 1pd5 n ASN 141 Ca 0.06 -3.20 -0.27 0.00 -0.02 0.00 0.00 54.58 51.15 1pd5 n ASN 141 Cb 0.31 -0.51 -0.05 0.00 -2.36 0.00 0.00 39.78 37.17 1pd5 n ASN 141 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1pd5 s MET 142 N -3.28 2.91 0.24 -3.83 -1.94 -1.26 0.61 119.30 112.75 1pd5 s MET 142 Ca 0.38 -0.85 0.10 0.00 -1.71 0.00 0.00 55.69 53.61 1pd5 s MET 142 Cb 0.42 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 34.55 1pd5 s MET 142 CO -0.07 0.49 -0.17 -0.59 -0.01 0.00 0.00 175.02 174.66 1pd5 s PHE 143 N -1.72 2.01 0.04 -0.03 -0.12 -1.05 -4.76 117.98 112.35 1pd5 s PHE 143 Ca 0.31 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.79 1pd5 s PHE 143 Cb -0.10 -0.90 -0.04 0.00 -0.63 0.00 0.00 43.02 41.35 1pd5 s PHE 143 CO 0.23 0.55 -0.06 -0.06 -0.05 0.00 0.00 175.22 175.83 1pd5 s PHE 144 N -2.71 2.88 -0.12 3.49 0.40 -0.80 -1.54 117.98 119.58 1pd5 s PHE 144 Ca 0.26 -0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1pd5 s PHE 144 Cb -0.03 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 41.98 1pd5 s PHE 144 CO 0.11 0.41 0.03 0.08 0.70 0.00 0.00 175.22 176.54 1pd5 s VAL 145 N -1.10 0.33 -0.14 -0.44 1.01 0.31 -1.53 120.40 118.84 1pd5 s VAL 145 Ca 0.20 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1pd5 s VAL 145 Cb -0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1pd5 s VAL 145 CO 0.11 0.03 0.30 -0.44 0.00 0.00 0.00 175.10 175.10 1pd5 s SER 146 N 1.97 6.47 -0.07 3.32 0.01 -0.64 -2.32 113.70 122.45 1pd5 s SER 146 Ca 0.03 0.55 -0.22 0.00 1.31 0.00 0.00 55.95 57.62 1pd5 s SER 146 Cb -0.14 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1pd5 s SER 146 CO -0.06 0.13 0.66 0.00 0.41 0.00 0.00 173.24 174.38 1pd5 s ALA 147 N 0.27 3.36 -0.51 1.44 0.00 -1.26 -1.47 121.76 123.59 1pd5 s ALA 147 Ca 0.17 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1pd5 s ALA 147 Cb -0.13 -2.90 0.22 0.00 0.00 0.00 0.00 23.12 20.31 1pd5 s ALA 147 CO 0.05 -0.08 0.54 -1.71 0.00 0.00 0.00 175.76 174.55 1pd5 n ASN 148 N 3.76 1.39 -0.05 0.00 4.05 0.85 -4.95 115.26 120.30 1pd5 n ASN 148 Ca -0.02 -2.90 0.14 0.00 0.45 0.00 0.00 54.58 52.25 1pd5 n ASN 148 Cb 0.51 -0.65 0.55 0.00 1.23 0.00 0.00 39.78 41.43 1pd5 n ASN 148 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1pd5 n PRO 149 N 1.64 0.32 0.09 1.20 -0.04 -1.26 -2.86 135.00 134.10 1pd5 n PRO 149 Ca 0.25 -0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1pd5 n PRO 149 Cb 0.46 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.88 1pd5 n PRO 149 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pd5 n TRP 150 N -1.25 0.66 -3.74 0.54 8.01 -1.26 -4.35 117.44 116.05 1pd5 n TRP 150 Ca 0.10 0.23 -0.19 0.00 -1.31 0.00 0.00 57.50 56.34 1pd5 n TRP 150 Cb 0.30 -0.88 -0.17 0.00 -2.01 0.00 0.00 31.31 28.55 1pd5 n TRP 150 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1pd5 s VAL 151 N -3.18 -0.01 -1.13 -0.99 1.01 -1.23 -4.88 120.40 109.99 1pd5 s VAL 151 Ca 0.07 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1pd5 s VAL 151 Cb 0.11 -0.19 0.14 0.00 0.00 0.00 0.00 36.38 36.43 1pd5 s VAL 151 CO 0.45 0.16 1.40 -0.44 0.00 0.00 0.00 175.10 176.66 1pd5 s SER 152 N 1.75 6.88 0.22 3.32 0.01 -1.26 -0.80 113.70 123.82 1pd5 s SER 152 Ca -0.00 -2.57 -0.13 0.00 1.31 0.00 0.00 55.95 54.57 1pd5 s SER 152 Cb -0.12 -2.44 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1pd5 s SER 152 CO -0.03 -0.94 0.59 0.72 0.41 0.00 0.00 173.24 173.99 1pd5 s PHE 153 N 2.46 3.49 -0.46 2.43 -0.12 -1.26 -4.94 117.98 119.58 1pd5 s PHE 153 Ca 0.42 1.03 0.22 0.00 -0.05 0.00 0.00 56.93 58.55 1pd5 s PHE 153 Cb -0.02 -2.37 -0.18 0.00 -0.63 0.00 0.00 43.02 39.82 1pd5 s PHE 153 CO -0.02 0.29 0.78 2.41 -0.05 0.00 0.00 175.22 178.63 1pd5 n THR 154 N 0.19 0.08 -3.60 -4.49 -1.04 -1.26 -4.62 114.28 99.54 1pd5 n THR 154 Ca -0.01 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.05 61.56 1pd5 n THR 154 Cb 0.52 0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 69.27 1pd5 n THR 154 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1pd5 s SER 155 N -3.99 -0.66 -0.12 8.00 0.15 -1.26 -4.88 113.70 110.93 1pd5 s SER 155 Ca -0.00 1.12 -0.05 0.00 0.70 0.00 0.00 55.95 57.72 1pd5 s SER 155 Cb 0.14 1.08 0.06 0.00 -1.71 0.00 0.00 66.02 65.60 1pd5 s SER 155 CO 0.86 -0.33 0.26 0.12 1.20 0.00 0.00 173.24 175.35 1pd5 s PHE 156 N -0.13 -0.39 -0.11 3.44 5.36 -1.26 -5.14 117.98 119.74 1pd5 s PHE 156 Ca -0.03 0.92 -0.04 0.00 -0.96 0.00 0.00 56.93 56.82 1pd5 s PHE 156 Cb -0.03 -0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.69 1pd5 s PHE 156 CO 0.02 -0.32 0.22 0.34 -1.46 0.00 0.00 175.22 174.03 1pd5 s ASP 157 N 2.04 0.41 -0.22 6.13 -1.08 -1.26 -4.75 116.67 117.95 1pd5 s ASP 157 Ca -0.02 0.49 -0.17 0.00 -0.52 0.00 0.00 52.55 52.32 1pd5 s ASP 157 Cb -0.11 0.51 -0.03 0.00 -1.46 0.00 0.00 42.92 41.82 1pd5 s ASP 157 CO -0.09 -0.23 0.47 -0.22 0.52 0.00 0.00 175.17 175.62 1pd5 s LEU 158 N 2.22 4.12 -0.46 -1.34 0.20 -1.26 -5.04 118.68 117.12 1pd5 s LEU 158 Ca 0.00 0.56 -0.01 0.00 0.69 0.00 0.00 54.13 55.38 1pd5 s LEU 158 Cb -0.12 -2.61 0.12 0.00 -0.43 0.00 0.00 46.19 43.15 1pd5 s LEU 158 CO -0.07 -0.16 0.24 0.21 -0.29 0.00 0.00 176.35 176.27 1pd5 s ASN 159 N 1.22 5.11 0.13 3.68 3.04 -1.26 -4.90 114.94 121.96 1pd5 s ASN 159 Ca 0.21 -2.31 -0.30 0.00 0.04 0.00 0.00 52.86 50.50 1pd5 s ASN 159 Cb -0.15 -1.79 -0.06 0.00 -1.54 0.00 0.00 41.25 37.70 1pd5 s ASN 159 CO 0.09 -0.46 1.06 0.54 -3.04 0.00 0.00 177.10 175.29 1pd5 s VAL 160 N 0.72 4.15 0.21 -5.21 0.11 -1.26 -5.01 120.40 114.12 1pd5 s VAL 160 Ca 0.11 1.77 -0.04 0.00 -2.93 0.00 0.00 61.98 60.89 1pd5 s VAL 160 Cb -0.22 -4.13 0.03 0.00 -1.53 0.00 0.00 36.38 30.53 1pd5 s VAL 160 CO -0.04 0.26 1.62 0.00 -3.33 0.00 0.00 175.10 173.61 1pd5 h ALA 161 N 5.58 0.87 -3.81 1.54 0.00 -2.07 -3.41 119.26 117.96 1pd5 h ALA 161 Ca -0.43 -0.38 -0.67 0.00 0.00 0.00 0.00 54.91 53.43 1pd5 h ALA 161 Cb 1.21 -0.15 -0.38 0.00 0.00 0.00 0.00 17.79 18.48 1pd5 h ALA 161 CO 0.73 0.63 -0.77 -0.80 0.00 0.00 0.00 179.25 179.04 1pd5 s ASN 162 N -6.77 4.56 0.00 0.00 0.01 -1.26 -4.96 114.94 106.52 1pd5 s ASN 162 Ca -0.09 -1.66 0.24 0.00 -0.71 0.00 0.00 52.86 50.63 1pd5 s ASN 162 Cb 0.13 -1.58 0.53 0.00 0.41 0.00 0.00 41.25 40.74 1pd5 s ASN 162 CO 0.83 -0.26 1.45 1.15 -1.51 0.00 0.00 177.10 178.77 1pd5 n MET 163 N 4.37 2.15 -1.58 -0.60 0.00 -1.26 -4.82 117.12 115.38 1pd5 n MET 163 Ca -0.08 -1.71 -0.50 0.00 0.00 0.00 0.00 57.70 55.41 1pd5 n MET 163 Cb 0.42 -1.47 -0.06 0.00 0.00 0.00 0.00 33.22 32.11 1pd5 n MET 163 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1pd5 n ASP 164 N 0.99 2.75 -1.73 3.17 8.00 -1.26 -0.45 116.55 128.01 1pd5 n ASP 164 Ca 0.17 0.68 -0.20 0.00 0.71 0.00 0.00 54.79 56.15 1pd5 n ASP 164 Cb 0.51 -1.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 1pd5 n ASP 164 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pd5 n ASN 165 N 8.30 -5.47 -4.49 -2.24 3.02 -1.26 -4.85 115.26 108.27 1pd5 n ASN 165 Ca 0.31 0.35 -0.44 0.00 -0.03 0.00 0.00 54.58 54.78 1pd5 n ASN 165 Cb 0.26 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 1pd5 n ASN 165 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1pd5 n PHE 166 N -2.87 4.89 0.35 3.10 7.35 0.41 -4.62 117.46 126.07 1pd5 n PHE 166 Ca -0.21 -3.24 0.11 0.00 -0.76 0.00 0.00 57.45 53.35 1pd5 n PHE 166 Cb 0.66 -2.29 0.26 0.00 0.35 0.00 0.00 39.48 38.46 1pd5 n PHE 166 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1pd5 n PHE 167 N 6.23 0.55 -3.69 -5.13 3.72 -1.26 -4.43 117.46 113.46 1pd5 n PHE 167 Ca 0.40 -0.28 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 1pd5 n PHE 167 Cb 0.43 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.91 1pd5 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pd5 s ALA 168 N -1.45 3.72 0.72 4.37 0.00 -1.26 -4.57 121.76 123.30 1pd5 s ALA 168 Ca 0.39 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 1pd5 s ALA 168 Cb 0.22 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1pd5 s ALA 168 CO 0.30 0.34 1.11 -2.14 0.00 0.00 0.00 175.76 175.37 1pd5 s PRO 169 N -0.27 2.46 -0.19 0.00 0.02 -1.26 -4.82 135.00 130.94 1pd5 s PRO 169 Ca 0.15 1.32 -0.00 0.00 0.02 0.00 0.00 61.00 62.49 1pd5 s PRO 169 Cb -0.13 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.53 1pd5 s PRO 169 CO 0.04 -1.50 -0.05 0.08 -0.33 0.00 0.00 177.00 175.24 1pd5 s VAL 170 N -2.57 1.22 0.16 3.83 1.01 -0.55 -1.90 120.40 121.60 1pd5 s VAL 170 Ca 0.65 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1pd5 s VAL 170 Cb -0.20 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 1pd5 s VAL 170 CO 0.49 0.01 0.53 -0.36 0.00 0.00 0.00 175.10 175.77 1pd5 s PHE 171 N 1.56 3.57 -0.08 5.22 0.40 -0.58 -1.24 117.98 126.83 1pd5 s PHE 171 Ca -0.02 1.00 -0.01 0.00 -0.60 0.00 0.00 56.93 57.30 1pd5 s PHE 171 Cb -0.17 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 41.06 1pd5 s PHE 171 CO -0.07 0.41 -0.02 0.99 0.70 0.00 0.00 175.22 177.22 1pd5 s THR 172 N -1.53 0.54 -0.13 0.64 2.01 0.73 -1.61 115.64 116.29 1pd5 s THR 172 Ca 0.39 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 1pd5 s THR 172 Cb -0.14 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1pd5 s THR 172 CO 0.19 0.28 0.05 -0.04 -0.69 0.00 0.00 174.62 174.42 1pd5 s MET 173 N 1.85 3.50 0.00 4.92 1.00 -0.54 -0.92 119.30 129.11 1pd5 s MET 173 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 55.69 55.39 1pd5 s MET 173 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 34.83 31.67 1pd5 s MET 173 CO -0.06 0.52 0.00 0.41 0.00 0.00 0.00 175.02 175.90 1pd5 n GLY 174 N 2.74 3.25 3.72 -0.03 0.00 -0.46 -0.11 105.19 114.29 1pd5 n GLY 174 Ca -0.18 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1pd5 n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pd5 s LYS 175 N 1.59 4.55 0.53 1.61 2.20 0.02 -4.58 119.74 125.67 1pd5 s LYS 175 Ca 0.00 1.32 -0.17 0.00 -0.36 0.00 0.00 55.97 56.76 1pd5 s LYS 175 Cb 0.00 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1pd5 s LYS 175 CO 0.00 0.02 1.00 1.52 -0.36 0.00 0.00 175.35 177.53 1pd5 s TYR 176 N 0.79 3.32 0.15 4.03 -0.85 -1.26 -4.30 117.35 119.23 1pd5 s TYR 176 Ca 0.48 1.48 -0.17 0.00 -0.52 0.00 0.00 57.07 58.34 1pd5 s TYR 176 Cb -0.21 -2.85 0.04 0.00 0.38 0.00 0.00 41.96 39.32 1pd5 s TYR 176 CO 0.26 -0.56 0.46 1.52 -1.52 0.00 0.00 175.55 175.71 1pd5 s TYR 177 N -2.56 -0.22 -0.13 -3.49 -0.85 -0.04 -4.97 117.35 105.09 1pd5 s TYR 177 Ca 0.60 -0.09 -0.08 0.00 -0.52 0.00 0.00 57.07 56.98 1pd5 s TYR 177 Cb -0.12 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1pd5 s TYR 177 CO 0.32 -0.78 0.16 0.95 -1.52 0.00 0.00 175.55 174.68 1pd5 s THR 178 N -3.82 5.45 -0.29 -3.49 -4.23 -1.26 -0.62 115.64 107.38 1pd5 s THR 178 Ca 0.04 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1pd5 s THR 178 Cb 0.01 -3.44 0.09 0.00 1.34 0.00 0.00 72.50 70.49 1pd5 s THR 178 CO -0.10 0.57 0.02 -1.58 -0.54 0.00 0.00 174.62 172.99 1pd5 s GLN 179 N -0.66 1.36 5.59 3.99 0.74 -0.78 -4.91 119.66 124.97 1pd5 s GLN 179 Ca 0.14 -1.35 0.00 0.00 0.05 0.00 0.00 55.36 54.20 1pd5 s GLN 179 Cb -0.12 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.32 1pd5 s GLN 179 CO 0.03 -0.82 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 1pd5 n GLY 180 N 4.55 1.22 0.21 2.59 0.00 -1.26 -2.39 105.19 110.12 1pd5 n GLY 180 Ca -0.04 0.33 0.02 0.00 0.00 0.00 0.00 46.02 46.33 1pd5 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pd5 n ASP 181 N 10.84 1.73 -4.84 1.61 10.43 -1.26 -5.01 116.55 130.04 1pd5 n ASP 181 Ca 0.00 -1.47 -0.33 0.00 2.57 0.00 0.00 54.79 55.56 1pd5 n ASP 181 Cb 0.00 -0.03 -0.06 0.00 1.84 0.00 0.00 41.12 42.86 1pd5 n ASP 181 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1pd5 s LYS 182 N -0.60 4.06 -0.18 -1.24 1.02 -1.00 -5.00 119.74 116.79 1pd5 s LYS 182 Ca 0.07 0.78 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 1pd5 s LYS 182 Cb 0.04 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1pd5 s LYS 182 CO 0.06 0.11 -0.07 0.08 -0.92 0.00 0.00 175.35 174.61 1pd5 s VAL 183 N -2.04 3.37 0.05 3.17 1.01 -1.26 -1.87 120.40 122.83 1pd5 s VAL 183 Ca 0.56 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1pd5 s VAL 183 Cb -0.10 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1pd5 s VAL 183 CO 0.16 0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.95 1pd5 s LEU 184 N 0.93 3.40 -0.08 3.92 1.43 0.21 -1.07 118.68 127.42 1pd5 s LEU 184 Ca -0.01 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1pd5 s LEU 184 Cb -0.15 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1pd5 s LEU 184 CO 0.00 0.23 -0.10 -0.32 0.23 0.00 0.00 176.35 176.39 1pd5 s MET 185 N -1.92 1.59 0.06 1.70 1.75 0.38 -0.86 119.30 121.99 1pd5 s MET 185 Ca 0.22 -0.34 -0.31 0.00 -1.25 0.00 0.00 55.69 54.02 1pd5 s MET 185 Cb -0.11 -1.44 -0.08 0.00 2.84 0.00 0.00 34.83 36.03 1pd5 s MET 185 CO 0.14 -0.09 1.64 -2.14 -0.65 0.00 0.00 175.02 173.91 1pd5 s PRO 186 N 1.07 4.20 -0.04 4.11 0.02 -1.26 0.16 135.00 143.26 1pd5 s PRO 186 Ca -0.07 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.29 1pd5 s PRO 186 Cb -0.14 -3.63 -0.00 0.00 0.02 0.00 0.00 34.50 30.75 1pd5 s PRO 186 CO -0.01 -0.73 -0.17 -1.17 -0.33 0.00 0.00 177.00 174.59 1pd5 s LEU 187 N 2.73 1.90 0.04 -5.54 2.96 0.21 -1.36 118.68 119.62 1pd5 s LEU 187 Ca 0.73 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 1pd5 s LEU 187 Cb -0.39 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1pd5 s LEU 187 CO 0.32 0.14 -0.20 0.00 -1.32 0.00 0.00 176.35 175.29 1pd5 s ALA 188 N 0.09 1.65 -0.03 5.97 0.00 -0.10 -0.89 121.76 128.46 1pd5 s ALA 188 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1pd5 s ALA 188 Cb -0.12 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1pd5 s ALA 188 CO 0.02 0.36 0.01 -1.50 0.00 0.00 0.00 175.76 174.66 1pd5 s ILE 189 N -0.81 0.07 -0.08 0.00 1.10 -0.43 -0.19 121.20 120.86 1pd5 s ILE 189 Ca 0.06 0.15 0.04 0.00 -0.51 0.00 0.00 60.65 60.39 1pd5 s ILE 189 Cb -0.09 -0.19 -0.01 0.00 0.15 0.00 0.00 42.46 42.33 1pd5 s ILE 189 CO 0.02 0.12 -0.22 -1.58 -2.11 0.00 0.00 174.94 171.16 1pd5 s GLN 190 N 1.05 2.87 0.14 3.50 -0.44 -0.38 -2.08 119.66 124.32 1pd5 s GLN 190 Ca -0.09 -0.86 -0.02 0.00 -2.50 0.00 0.00 55.36 51.89 1pd5 s GLN 190 Cb -0.13 -2.29 -0.04 0.00 -1.64 0.00 0.00 33.01 28.91 1pd5 s GLN 190 CO -0.02 0.29 0.09 0.14 0.50 0.00 0.00 175.29 176.29 1pd5 s VAL 191 N 0.09 0.08 -0.11 1.34 -7.23 -0.95 -1.48 120.40 112.14 1pd5 s VAL 191 Ca -0.10 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1pd5 s VAL 191 Cb -0.16 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1pd5 s VAL 191 CO 0.06 -0.38 0.06 -2.28 -0.31 0.00 0.00 175.10 172.26 1pd5 s HIS 192 N -4.06 3.35 0.09 2.82 2.46 -1.26 -1.21 115.29 117.49 1pd5 s HIS 192 Ca 0.26 0.32 0.13 0.00 0.47 0.00 0.00 55.06 56.24 1pd5 s HIS 192 Cb 0.07 -1.88 0.23 0.00 -0.13 0.00 0.00 32.58 30.87 1pd5 s HIS 192 CO 0.03 0.55 1.52 1.25 -2.47 0.00 0.00 174.74 175.62 1pd5 h HIS 193 N 5.25 0.00 -1.14 3.88 2.76 -1.61 -2.44 115.15 121.85 1pd5 h HIS 193 Ca -0.51 0.00 0.33 0.00 -2.20 0.00 0.00 60.37 57.99 1pd5 h HIS 193 Cb 1.20 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.06 1pd5 h HIS 193 CO 0.68 0.62 0.74 0.00 -1.30 0.00 0.00 177.93 178.66 1pd5 h ALA 194 N 1.38 2.44 0.00 5.26 0.00 -1.80 -3.26 119.26 123.28 1pd5 h ALA 194 Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1pd5 h ALA 194 Cb 1.29 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1pd5 h ALA 194 CO 0.08 -0.92 -1.48 1.33 0.00 0.00 0.00 179.25 178.26 1pd5 n VAL 195 N -4.63 0.30 -4.48 0.00 0.24 -1.12 -4.43 118.33 104.21 1pd5 n VAL 195 Ca 0.29 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 1pd5 n VAL 195 Cb 1.08 -0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 33.03 1pd5 n VAL 195 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pd5 s ASP 197 N -0.91 5.47 0.38 0.00 -0.00 -1.26 -4.12 116.67 116.23 1pd5 s ASP 197 Ca 0.04 -0.29 0.16 0.00 -0.00 0.00 0.00 52.55 52.46 1pd5 s ASP 197 Cb -0.07 -1.34 1.05 0.00 -0.00 0.00 0.00 42.92 42.56 1pd5 s ASP 197 CO 0.01 -0.08 1.77 1.23 -0.00 0.00 0.00 175.17 178.11 1pd5 h GLY 198 N 1.47 1.30 -0.05 0.21 0.00 -1.99 -1.72 103.07 102.30 1pd5 h GLY 198 Ca -0.48 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 46.70 1pd5 h GLY 198 CO 0.60 -0.13 -0.25 -2.75 0.00 0.00 0.00 176.54 174.01 1pd5 h PHE 199 N 0.45 -0.67 0.22 5.60 3.04 -1.97 0.15 116.94 123.77 1pd5 h PHE 199 Ca 0.59 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.58 1pd5 h PHE 199 Cb 1.39 0.35 0.00 0.00 2.56 0.00 0.00 35.95 40.25 1pd5 h PHE 199 CO -0.00 -0.33 -0.11 0.45 -2.02 0.00 0.00 178.31 176.30 1pd5 h HIS 200 N -0.19 -0.28 -0.40 0.41 -0.00 -1.72 0.64 115.15 113.61 1pd5 h HIS 200 Ca 0.18 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.63 1pd5 h HIS 200 Cb 0.48 0.09 -0.08 0.00 -0.00 0.00 0.00 27.41 27.90 1pd5 h HIS 200 CO -0.47 0.00 -0.17 0.28 -0.00 0.00 0.00 177.93 177.57 1pd5 h VAL 201 N -0.55 0.46 -0.38 2.45 2.07 -1.48 -2.15 116.25 116.67 1pd5 h VAL 201 Ca -0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1pd5 h VAL 201 Cb 0.41 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1pd5 h VAL 201 CO 0.05 0.00 -0.39 1.23 0.02 0.00 0.00 177.57 178.48 1pd5 h GLY 202 N -0.10 -0.46 2.00 2.17 0.00 -0.27 -0.05 103.07 106.36 1pd5 h GLY 202 Ca 0.20 0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.99 1pd5 h GLY 202 CO -0.46 -0.20 -0.18 -0.09 0.00 0.00 0.00 176.54 175.61 1pd5 h ARG 203 N -0.32 0.00 -0.05 4.80 2.43 0.65 -0.84 114.38 121.05 1pd5 h ARG 203 Ca 0.15 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1pd5 h ARG 203 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1pd5 h ARG 203 CO -0.55 0.18 -0.27 1.98 -1.51 0.00 0.00 179.97 179.81 1pd5 h MET 204 N 0.00 0.27 -0.08 0.20 4.05 -1.03 -1.06 114.93 117.29 1pd5 h MET 204 Ca -0.00 -0.22 -0.08 0.00 -0.28 0.00 0.00 59.70 59.12 1pd5 h MET 204 Cb 0.45 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1pd5 h MET 204 CO 0.02 0.87 -0.31 -0.07 0.23 0.00 0.00 176.91 177.66 1pd5 h LEU 205 N -0.26 0.14 -0.57 3.39 3.38 -0.45 0.31 115.31 121.24 1pd5 h LEU 205 Ca -0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pd5 h LEU 205 Cb 0.93 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1pd5 h LEU 205 CO 0.05 0.45 0.35 0.78 0.09 0.00 0.00 178.44 180.17 1pd5 h ASN 206 N 0.13 0.69 -0.41 -0.43 2.35 -1.12 -2.58 115.58 114.20 1pd5 h ASN 206 Ca 0.02 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1pd5 h ASN 206 Cb 0.62 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1pd5 h ASN 206 CO 0.04 0.54 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.95 1pd5 h GLU 207 N 0.77 0.85 0.04 0.81 5.08 -0.45 -2.57 114.58 119.12 1pd5 h GLU 207 Ca 0.21 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1pd5 h GLU 207 Cb -0.02 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1pd5 h GLU 207 CO -0.04 0.90 -0.49 1.25 -1.00 0.00 0.00 179.01 179.63 1pd5 h LEU 208 N 0.77 -1.50 -0.67 1.33 5.85 -0.32 -0.51 115.31 120.26 1pd5 h LEU 208 Ca 0.13 0.17 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1pd5 h LEU 208 Cb 0.58 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1pd5 h LEU 208 CO 0.04 -0.52 0.43 -0.61 -0.34 0.00 0.00 178.44 177.44 1pd5 h GLN 209 N -0.67 0.83 -0.20 1.25 5.75 -1.29 0.17 115.11 120.95 1pd5 h GLN 209 Ca 0.02 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1pd5 h GLN 209 Cb 0.72 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 1pd5 h GLN 209 CO -0.32 0.55 -0.27 1.96 -2.65 0.00 0.00 178.83 178.10 1pd5 h GLN 210 N 0.86 -0.18 -0.67 1.69 4.20 -1.36 -1.56 115.11 118.09 1pd5 h GLN 210 Ca 0.26 0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.11 1pd5 h GLN 210 Cb -0.04 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.65 1pd5 h GLN 210 CO -0.08 -0.12 -0.15 1.88 -0.67 0.00 0.00 178.83 179.69 1pd5 h TYR 211 N -0.19 -0.31 -0.08 2.96 0.99 -0.79 0.63 116.97 120.17 1pd5 h TYR 211 Ca 0.04 0.06 0.02 0.00 2.00 0.00 0.00 58.73 60.85 1pd5 h TYR 211 Cb 0.29 0.24 -0.00 0.00 1.00 0.00 0.00 36.73 38.26 1pd5 h TYR 211 CO -0.67 -0.28 0.13 0.00 -0.00 0.00 0.00 178.16 177.34 1pd5 n ASP 213 N -3.56 0.07 0.00 0.00 8.00 0.19 -2.82 116.55 118.43 1pd5 n ASP 213 Ca -0.01 0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.63 1pd5 n ASP 213 Cb 0.22 1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 42.43 1pd5 n ASP 213 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pd5 n GLU 214 N -2.66 0.15 -1.44 -1.24 1.02 0.31 -4.88 120.64 111.90 1pd5 n GLU 214 Ca -0.25 -0.03 -0.50 0.00 -0.02 0.00 0.00 57.16 56.37 1pd5 n GLU 214 Cb 1.01 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.83 1pd5 n GLU 214 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1pd5 n TRP 215 N -1.71 1.52 0.34 -0.32 -0.00 -0.49 -4.71 117.44 112.07 1pd5 n TRP 215 Ca 0.03 0.29 0.15 0.00 -0.00 0.00 0.00 57.50 57.97 1pd5 n TRP 215 Cb 0.39 -2.52 0.56 0.00 -0.00 0.00 0.00 31.31 29.74 1pd5 n TRP 215 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1pd5 h GLN 216 N 12.63 0.00 0.00 5.87 1.08 -1.91 -3.47 115.11 129.30 1pd5 h GLN 216 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1pd5 h GLN 216 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1pd5 h GLN 216 CO 1.05 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.34