#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd5 n ILE 5 N 0.00 -0.96 0.00 -0.18 5.41 -1.26 -4.96 119.36 117.41 1pd5 n ILE 5 Ca 0.00 -3.57 0.00 0.00 1.00 0.00 0.00 62.75 60.18 1pd5 n ILE 5 Cb 0.00 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1pd5 n ILE 5 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1pd5 n THR 6 N 2.71 0.00 -1.61 1.39 -2.24 -1.26 -5.11 114.28 108.17 1pd5 n THR 6 Ca 0.29 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.77 1pd5 n THR 6 Cb 0.47 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.89 1pd5 n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pd5 s GLY 7 N 0.00 1.68 -0.27 3.38 0.00 -1.26 -4.96 107.32 105.89 1pd5 s GLY 7 Ca 0.00 -1.00 -0.38 0.00 0.00 0.00 0.00 44.72 43.35 1pd5 s GLY 7 CO 0.00 -0.24 1.36 -2.52 0.00 0.00 0.00 173.10 171.70 1pd5 s TYR 8 N -3.51 -0.03 0.20 1.90 -0.85 -1.26 -2.61 117.35 111.18 1pd5 s TYR 8 Ca 0.71 0.02 0.05 0.00 -0.52 0.00 0.00 57.07 57.33 1pd5 s TYR 8 Cb -0.08 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 1pd5 s TYR 8 CO 0.54 -0.05 0.17 0.25 -1.52 0.00 0.00 175.55 174.94 1pd5 n THR 9 N 0.01 0.00 -4.61 -3.49 -2.24 -0.75 -4.90 114.28 98.30 1pd5 n THR 9 Ca 0.04 -1.44 -0.33 0.00 -2.27 0.00 0.00 64.05 60.05 1pd5 n THR 9 Cb 0.57 0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 69.37 1pd5 n THR 9 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pd5 s THR 10 N -2.79 3.26 0.16 4.28 2.01 -1.26 -1.28 115.64 120.02 1pd5 s THR 10 Ca 0.23 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.35 1pd5 s THR 10 Cb 0.01 -2.40 -0.08 0.00 0.01 0.00 0.00 72.50 70.04 1pd5 s THR 10 CO 0.17 0.51 1.35 -0.69 -0.69 0.00 0.00 174.62 175.26 1pd5 s VAL 11 N 0.45 3.26 -0.81 3.82 1.01 -0.97 -4.93 120.40 122.23 1pd5 s VAL 11 Ca -0.08 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 1pd5 s VAL 11 Cb -0.15 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 32.78 1pd5 s VAL 11 CO 0.04 0.11 0.84 -0.62 0.00 0.00 0.00 175.10 175.47 1pd5 s ASP 12 N 0.70 6.62 0.24 3.32 3.68 -1.26 -4.85 116.67 125.12 1pd5 s ASP 12 Ca 0.60 -2.31 -0.05 0.00 2.13 0.00 0.00 52.55 52.92 1pd5 s ASP 12 Cb -0.37 -2.27 0.41 0.00 -1.45 0.00 0.00 42.92 39.25 1pd5 s ASP 12 CO 0.35 -0.78 1.77 0.40 0.13 0.00 0.00 175.17 177.03 1pd5 h ILE 13 N 5.26 0.78 0.00 4.11 1.08 -1.94 -0.24 117.51 126.56 1pd5 h ILE 13 Ca 0.04 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1pd5 h ILE 13 Cb 1.05 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1pd5 h ILE 13 CO 0.91 0.11 0.00 0.77 -0.69 0.00 0.00 178.15 179.24 1pd5 h SER 14 N 0.58 0.00 -0.31 1.72 4.64 -2.02 -1.84 113.55 116.32 1pd5 h SER 14 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1pd5 h SER 14 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1pd5 h SER 14 CO -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 1pd5 n GLN 15 N -2.83 1.85 -3.16 4.77 1.13 -0.11 -4.95 117.38 114.08 1pd5 n GLN 15 Ca 0.02 -1.31 -0.40 0.00 -1.94 0.00 0.00 57.00 53.37 1pd5 n GLN 15 Cb 0.35 -1.34 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 1pd5 n GLN 15 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1pd5 s TRP 16 N -1.58 3.33 0.50 1.08 -0.00 -0.69 -4.96 118.94 116.62 1pd5 s TRP 16 Ca 0.28 0.83 0.38 0.00 -0.00 0.00 0.00 56.10 57.59 1pd5 s TRP 16 Cb 0.15 -2.77 2.01 0.00 -0.00 0.00 0.00 33.47 32.85 1pd5 s TRP 16 CO 0.21 -0.21 2.24 0.45 -0.00 0.00 0.00 176.95 179.63 1pd5 h HIS 17 N 7.66 0.00 -0.49 5.86 3.86 -1.92 -1.55 115.15 128.57 1pd5 h HIS 17 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1pd5 h HIS 17 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1pd5 h HIS 17 CO 0.73 0.02 0.00 0.54 0.86 0.00 0.00 177.93 180.08 1pd5 n ARG 18 N -3.25 2.53 -0.32 2.45 1.74 -1.26 -4.60 116.66 113.94 1pd5 n ARG 18 Ca -0.02 -1.93 0.18 0.00 -0.77 0.00 0.00 57.85 55.31 1pd5 n ARG 18 Cb 0.15 -1.54 0.36 0.00 -1.02 0.00 0.00 32.46 30.41 1pd5 n ARG 18 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1pd5 h LYS 19 N 2.96 0.11 -0.08 5.56 2.10 -1.52 0.53 116.57 126.23 1pd5 h LYS 19 Ca 0.00 -0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 58.40 1pd5 h LYS 19 Cb 0.87 -0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.19 1pd5 h LYS 19 CO 0.08 0.07 -0.91 0.93 -2.00 0.00 0.00 179.45 177.62 1pd5 h GLU 20 N 0.11 0.75 -0.71 0.07 5.08 -1.83 -1.00 114.58 117.05 1pd5 h GLU 20 Ca 0.64 -0.70 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1pd5 h GLU 20 Cb 1.41 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1pd5 h GLU 20 CO -0.76 1.29 0.36 0.45 -1.00 0.00 0.00 179.01 179.34 1pd5 h HIS 21 N 0.47 0.99 0.04 4.33 3.86 -1.55 -0.01 115.15 123.29 1pd5 h HIS 21 Ca -0.09 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1pd5 h HIS 21 Cb 1.55 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1pd5 h HIS 21 CO 0.09 0.71 -0.02 0.35 0.86 0.00 0.00 177.93 179.92 1pd5 h PHE 22 N 1.00 -0.05 -0.80 2.45 3.04 -0.84 1.09 116.94 122.83 1pd5 h PHE 22 Ca 0.25 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.38 1pd5 h PHE 22 Cb 0.08 0.02 -0.12 0.00 2.56 0.00 0.00 35.95 38.49 1pd5 h PHE 22 CO 0.01 0.20 0.25 1.49 -2.02 0.00 0.00 178.31 178.23 1pd5 h GLU 23 N -0.30 0.30 0.00 1.11 4.57 -0.80 -1.09 114.58 118.37 1pd5 h GLU 23 Ca -0.01 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1pd5 h GLU 23 Cb 0.27 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1pd5 h GLU 23 CO 0.01 0.20 -0.28 0.00 -1.18 0.00 0.00 179.01 177.76 1pd5 h ALA 24 N 1.65 0.03 0.00 2.92 0.00 -0.43 -2.98 119.26 120.46 1pd5 h ALA 24 Ca 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pd5 h ALA 24 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pd5 h ALA 24 CO -0.53 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.02 1pd5 n PHE 25 N -4.48 0.00 1.04 0.00 3.01 0.37 -1.45 117.46 115.95 1pd5 n PHE 25 Ca -0.10 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.48 1pd5 n PHE 25 Cb 0.52 -0.02 0.28 0.00 -0.01 0.00 0.00 39.48 40.25 1pd5 n PHE 25 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1pd5 n GLN 26 N -1.02 0.13 0.00 -1.08 1.13 -0.42 -3.97 117.38 112.15 1pd5 n GLN 26 Ca 0.17 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1pd5 n GLN 26 Cb 0.09 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.94 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 -1.37 0.00 0.24 1.08 3.41 -1.03 -4.87 113.62 111.08 1pd5 n SER 27 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.75 1pd5 n SER 27 Cb 0.34 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.87 1pd5 n SER 27 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1pd5 h VAL 28 N 0.00 1.01 -0.36 -3.33 -1.51 -1.81 -0.49 116.25 109.76 1pd5 h VAL 28 Ca 0.00 -0.40 -0.12 0.00 -1.23 0.00 0.00 66.70 64.95 1pd5 h VAL 28 Cb 0.00 1.22 -0.07 0.00 -2.13 0.00 0.00 31.29 30.31 1pd5 h VAL 28 CO 0.00 0.11 0.01 0.00 -1.23 0.00 0.00 177.57 176.46 1pd5 n ALA 29 N -2.49 3.82 -1.65 5.19 0.00 -0.53 -5.03 120.51 119.82 1pd5 n ALA 29 Ca -0.03 -2.75 -0.54 0.00 0.00 0.00 0.00 53.44 50.12 1pd5 n ALA 29 Cb 0.19 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 1pd5 n ALA 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1pd5 n GLN 30 N -0.85 1.24 -3.82 0.00 7.27 -0.20 -4.67 117.38 116.37 1pd5 n GLN 30 Ca 0.30 0.45 -0.11 0.00 0.07 0.00 0.00 57.00 57.71 1pd5 n GLN 30 Cb 1.02 -2.13 -0.08 0.00 2.41 0.00 0.00 30.24 31.46 1pd5 n GLN 30 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pd5 s THR 32 N -2.70 3.55 0.03 0.00 -1.32 -1.26 -1.68 115.64 112.27 1pd5 s THR 32 Ca -0.04 -1.45 -0.07 0.00 -1.21 0.00 0.00 61.69 58.92 1pd5 s THR 32 Cb -0.00 -3.16 -0.01 0.00 -1.51 0.00 0.00 72.50 67.82 1pd5 s THR 32 CO -0.04 -0.20 0.12 -0.72 -2.21 0.00 0.00 174.62 171.57 1pd5 s TYR 33 N -2.31 0.14 0.17 9.09 -0.85 0.26 -4.84 117.35 119.01 1pd5 s TYR 33 Ca 0.39 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.64 1pd5 s TYR 33 Cb -0.05 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 1pd5 s TYR 33 CO 0.25 -0.36 -0.18 -0.80 -1.52 0.00 0.00 175.55 172.94 1pd5 s ASN 34 N -1.97 2.68 -0.10 -0.18 -0.87 -1.26 -1.41 114.94 111.83 1pd5 s ASN 34 Ca -0.07 -0.88 -0.06 0.00 -1.57 0.00 0.00 52.86 50.28 1pd5 s ASN 34 Cb -0.02 -0.16 0.04 0.00 -0.02 0.00 0.00 41.25 41.09 1pd5 s ASN 34 CO -0.03 -0.05 0.23 -1.10 -2.57 0.00 0.00 177.10 173.58 1pd5 s GLN 35 N -2.91 0.22 0.03 -0.60 -0.21 -0.70 -5.00 119.66 110.48 1pd5 s GLN 35 Ca 0.17 0.46 0.07 0.00 0.02 0.00 0.00 55.36 56.08 1pd5 s GLN 35 Cb -0.05 -0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.88 1pd5 s GLN 35 CO 0.07 -0.12 -0.20 0.99 -2.12 0.00 0.00 175.29 173.90 1pd5 s THR 36 N 0.92 2.62 0.05 -0.19 2.01 -1.26 -1.29 115.64 118.51 1pd5 s THR 36 Ca -0.07 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 60.74 1pd5 s THR 36 Cb -0.08 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1pd5 s THR 36 CO -0.06 0.37 -0.06 0.54 -0.69 0.00 0.00 174.62 174.71 1pd5 s VAL 37 N -0.88 0.48 -0.57 3.82 0.11 0.66 -4.96 120.40 119.08 1pd5 s VAL 37 Ca 0.14 -1.30 -0.18 0.00 -2.93 0.00 0.00 61.98 57.71 1pd5 s VAL 37 Cb -0.10 -0.87 0.11 0.00 -1.53 0.00 0.00 36.38 33.99 1pd5 s VAL 37 CO 0.04 -0.56 0.62 -1.10 -3.33 0.00 0.00 175.10 170.77 1pd5 s GLN 38 N -2.24 3.03 0.04 1.54 -1.52 -1.26 -0.52 119.66 118.72 1pd5 s GLN 38 Ca -0.05 -1.43 -0.19 0.00 -1.95 0.00 0.00 55.36 51.74 1pd5 s GLN 38 Cb -0.05 -4.26 -0.06 0.00 -0.22 0.00 0.00 33.01 28.41 1pd5 s GLN 38 CO -0.02 -1.43 0.55 -1.17 -0.25 0.00 0.00 175.29 172.97 1pd5 s LEU 39 N 2.28 4.49 -0.65 2.90 1.98 0.17 -4.68 118.68 125.16 1pd5 s LEU 39 Ca 0.08 1.19 -0.28 0.00 -2.89 0.00 0.00 54.13 52.24 1pd5 s LEU 39 Cb -0.26 -2.85 0.02 0.00 0.66 0.00 0.00 46.19 43.76 1pd5 s LEU 39 CO 0.05 0.24 1.31 -0.62 -1.89 0.00 0.00 176.35 175.44 1pd5 s ASP 40 N -0.85 6.20 -0.11 3.68 3.68 -1.26 0.02 116.67 128.03 1pd5 s ASP 40 Ca 0.29 -0.09 0.14 0.00 2.13 0.00 0.00 52.55 55.02 1pd5 s ASP 40 Cb -0.19 -2.55 0.44 0.00 -1.45 0.00 0.00 42.92 39.17 1pd5 s ASP 40 CO 0.18 -1.73 1.36 2.30 0.13 0.00 0.00 175.17 177.41 1pd5 n ILE 41 N 6.61 1.81 -0.11 4.11 -5.35 0.12 -4.64 119.36 121.91 1pd5 n ILE 41 Ca 0.07 -1.56 -0.10 0.00 -0.27 0.00 0.00 62.75 60.89 1pd5 n ILE 41 Cb 0.49 0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.37 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 1.86 0.13 -0.11 7.28 2.02 -1.85 0.10 112.91 122.33 1pd5 h THR 42 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1pd5 h THR 42 Cb 1.18 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1pd5 h THR 42 CO 0.14 0.00 -0.51 0.00 0.37 0.00 0.00 175.52 175.52 1pd5 h ALA 43 N 0.40 0.92 -0.13 6.16 0.00 -1.86 -3.10 119.26 121.66 1pd5 h ALA 43 Ca 0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1pd5 h ALA 43 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pd5 h ALA 43 CO -0.54 0.67 -0.21 0.35 0.00 0.00 0.00 179.25 179.51 1pd5 h PHE 44 N 0.24 0.46 -0.95 0.00 3.57 -1.48 -1.12 116.94 117.66 1pd5 h PHE 44 Ca 0.01 -0.16 0.09 0.00 3.53 0.00 0.00 57.97 61.44 1pd5 h PHE 44 Cb 0.98 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 1pd5 h PHE 44 CO 0.02 0.82 0.59 1.25 -2.23 0.00 0.00 178.31 178.77 1pd5 h LEU 45 N -0.04 0.90 -0.75 0.59 6.46 -1.05 0.27 115.31 121.68 1pd5 h LEU 45 Ca 0.01 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.68 1pd5 h LEU 45 Cb 0.78 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1pd5 h LEU 45 CO 0.05 0.53 -0.44 0.11 -0.62 0.00 0.00 178.44 178.06 1pd5 h LYS 46 N 1.01 0.40 -0.12 1.25 1.57 -1.41 -0.33 116.57 118.94 1pd5 h LYS 46 Ca 0.44 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1pd5 h LYS 46 Cb 0.33 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1pd5 h LYS 46 CO -0.22 0.77 -0.45 1.15 -0.57 0.00 0.00 179.45 180.13 1pd5 h THR 47 N 0.33 1.37 -0.48 -0.16 2.02 -0.77 0.29 112.91 115.51 1pd5 h THR 47 Ca 0.02 -1.76 0.03 0.00 0.77 0.00 0.00 66.41 65.48 1pd5 h THR 47 Cb 0.91 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 69.43 1pd5 h THR 47 CO 0.08 0.53 0.26 0.58 0.37 0.00 0.00 175.52 177.33 1pd5 h VAL 48 N 0.11 0.99 -0.22 3.16 2.07 -0.31 -2.72 116.25 119.34 1pd5 h VAL 48 Ca -0.02 -0.17 -0.20 0.00 0.82 0.00 0.00 66.70 67.13 1pd5 h VAL 48 Cb 1.08 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1pd5 h VAL 48 CO 0.09 0.09 -0.63 0.11 0.02 0.00 0.00 177.57 177.26 1pd5 h LYS 49 N 0.51 0.81 -0.19 1.57 1.57 -0.47 -0.14 116.57 120.23 1pd5 h LYS 49 Ca 0.20 -0.58 0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1pd5 h LYS 49 Cb 0.08 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1pd5 h LYS 49 CO -0.12 1.20 0.14 -0.22 -0.57 0.00 0.00 179.45 179.88 1pd5 h LYS 50 N 0.56 0.00 -0.21 3.15 3.64 -0.48 -1.81 116.57 121.43 1pd5 h LYS 50 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1pd5 h LYS 50 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1pd5 h LYS 50 CO 0.13 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.40 1pd5 n ASN 51 N -4.40 2.47 -1.75 4.20 3.02 -1.03 -5.00 115.26 112.78 1pd5 n ASN 51 Ca 0.02 -1.84 -0.04 0.00 -0.03 0.00 0.00 54.58 52.68 1pd5 n ASN 51 Cb 0.28 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1pd5 n ASN 51 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1pd5 n LYS 52 N 0.34 -0.23 -3.76 3.52 0.00 -0.09 -4.95 118.16 112.99 1pd5 n LYS 52 Ca 0.08 0.15 -0.37 0.00 -0.00 0.00 0.00 58.31 58.17 1pd5 n LYS 52 Cb 0.34 -0.26 -0.13 0.00 -0.00 0.00 0.00 35.03 34.99 1pd5 n LYS 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1pd5 s HIS 53 N -0.81 3.11 0.15 5.58 3.76 -1.05 -5.06 115.29 120.98 1pd5 s HIS 53 Ca 0.03 -0.72 -0.34 0.00 -0.15 0.00 0.00 55.06 53.88 1pd5 s HIS 53 Cb -0.00 -2.24 -0.15 0.00 1.11 0.00 0.00 32.58 31.29 1pd5 s HIS 53 CO 0.11 -0.48 1.34 1.63 -0.85 0.00 0.00 174.74 176.49 1pd5 n LYS 54 N 4.89 1.48 -0.18 1.40 4.01 -1.26 -4.63 118.16 123.87 1pd5 n LYS 54 Ca -0.15 0.53 -0.03 0.00 -0.51 0.00 0.00 58.31 58.15 1pd5 n LYS 54 Cb 0.50 -2.15 0.18 0.00 -0.51 0.00 0.00 35.03 33.04 1pd5 n LYS 54 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1pd5 h PHE 55 N 4.36 0.95 0.04 2.13 3.57 -1.99 -3.17 116.94 122.84 1pd5 h PHE 55 Ca -0.45 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 60.98 1pd5 h PHE 55 Cb 1.31 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1pd5 h PHE 55 CO 0.58 0.73 -0.02 -0.92 -2.23 0.00 0.00 178.31 176.45 1pd5 h TYR 56 N 0.93 -0.05 -0.71 0.41 3.20 -1.98 -1.69 116.97 117.07 1pd5 h TYR 56 Ca 0.22 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.12 1pd5 h TYR 56 Cb 0.19 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 1pd5 h TYR 56 CO 0.01 0.54 0.45 -1.35 -1.64 0.00 0.00 178.16 176.18 1pd5 h PRO 57 N -0.72 0.85 -0.60 1.82 0.11 -1.98 0.30 132.00 131.79 1pd5 h PRO 57 Ca -0.01 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1pd5 h PRO 57 Cb 0.62 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1pd5 h PRO 57 CO 0.01 0.56 0.10 0.00 -0.21 0.00 0.00 178.00 178.47 1pd5 h ALA 58 N 1.30 1.06 -0.01 -0.75 0.00 -1.57 0.74 119.26 120.04 1pd5 h ALA 58 Ca 0.29 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1pd5 h ALA 58 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pd5 h ALA 58 CO -0.11 0.61 -0.43 0.35 0.00 0.00 0.00 179.25 179.68 1pd5 h PHE 59 N 0.91 0.44 -0.98 0.00 3.57 -0.84 -0.18 116.94 119.86 1pd5 h PHE 59 Ca 0.19 -0.24 0.21 0.00 3.53 0.00 0.00 57.97 61.67 1pd5 h PHE 59 Cb 0.39 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.98 1pd5 h PHE 59 CO 0.03 1.04 0.62 0.82 -2.23 0.00 0.00 178.31 178.59 1pd5 h ILE 60 N -0.28 0.65 0.03 1.41 2.04 -0.21 -2.13 117.51 119.02 1pd5 h ILE 60 Ca -0.05 -0.19 -0.23 0.00 1.00 0.00 0.00 64.86 65.40 1pd5 h ILE 60 Cb 1.15 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1pd5 h ILE 60 CO 0.08 0.10 -0.99 -0.74 0.00 0.00 0.00 178.15 176.60 1pd5 h HIS 61 N 0.54 0.42 -0.04 1.37 2.76 0.71 -1.04 115.15 119.87 1pd5 h HIS 61 Ca 0.55 -0.25 -0.11 0.00 -2.20 0.00 0.00 60.37 58.35 1pd5 h HIS 61 Cb 1.16 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1pd5 h HIS 61 CO -0.00 1.11 -0.48 0.97 -1.30 0.00 0.00 177.93 178.22 1pd5 h ILE 62 N 0.13 1.35 -0.24 6.26 2.10 -0.39 -0.21 117.51 126.51 1pd5 h ILE 62 Ca -0.07 -1.68 -0.01 0.00 1.08 0.00 0.00 64.86 64.17 1pd5 h ILE 62 Cb 1.65 1.86 -0.01 0.00 -1.09 0.00 0.00 36.82 39.24 1pd5 h ILE 62 CO 0.16 0.49 0.10 -0.07 -1.08 0.00 0.00 178.15 177.74 1pd5 h LEU 63 N 0.07 0.33 -1.06 2.19 3.38 -1.23 -2.73 115.31 116.27 1pd5 h LEU 63 Ca 0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1pd5 h LEU 63 Cb 0.88 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1pd5 h LEU 63 CO 0.07 0.41 -0.27 0.00 0.09 0.00 0.00 178.44 178.74 1pd5 h ALA 64 N 0.94 1.21 -0.68 1.53 0.00 -0.93 -0.52 119.26 120.79 1pd5 h ALA 64 Ca 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1pd5 h ALA 64 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1pd5 h ALA 64 CO -0.01 0.52 0.36 -0.09 0.00 0.00 0.00 179.25 180.03 1pd5 h ARG 65 N 0.31 0.96 -0.21 0.00 2.43 -0.92 -0.54 114.38 116.42 1pd5 h ARG 65 Ca 0.05 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1pd5 h ARG 65 Cb 0.64 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1pd5 h ARG 65 CO 0.05 0.74 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.76 1pd5 h LEU 66 N 0.94 0.51 -1.32 3.80 3.38 -1.00 -1.95 115.31 119.68 1pd5 h LEU 66 Ca 0.24 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pd5 h LEU 66 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pd5 h LEU 66 CO -0.04 0.87 0.00 0.24 0.09 0.00 0.00 178.44 179.60 1pd5 h MET 67 N 0.40 0.00 -0.34 1.13 2.86 -0.28 -2.70 114.93 116.00 1pd5 h MET 67 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1pd5 h MET 67 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1pd5 h MET 67 CO 0.08 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.14 1pd5 n ASN 68 N -2.63 4.06 0.00 1.22 3.02 -0.29 -4.23 115.26 116.40 1pd5 n ASN 68 Ca 0.01 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 1pd5 n ASN 68 Cb 0.21 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.10 1.78 -3.71 5.41 0.00 -1.02 -5.00 120.51 117.87 1pd5 n ALA 69 Ca 0.21 -0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 1pd5 n ALA 69 Cb 0.87 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.48 0.34 -0.24 0.00 3.76 -1.24 -5.06 115.29 112.37 1pd5 s HIS 70 Ca 0.00 -0.00 0.28 0.00 -0.15 0.00 0.00 55.06 55.19 1pd5 s HIS 70 Cb 0.00 -0.45 0.88 0.00 1.11 0.00 0.00 32.58 34.12 1pd5 s HIS 70 CO 0.00 -0.15 1.79 -1.00 -0.85 0.00 0.00 174.74 174.54 1pd5 h PRO 71 N 7.39 0.00 0.00 8.40 0.13 -1.94 -2.76 132.00 143.23 1pd5 h PRO 71 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.44 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.36 1pd5 n GLU 72 N -2.94 0.00 -0.09 0.86 0.00 -1.26 -1.39 120.64 115.83 1pd5 n GLU 72 Ca 0.03 0.33 0.09 0.00 0.00 0.00 0.00 57.16 57.61 1pd5 n GLU 72 Cb 0.40 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.47 1pd5 n GLU 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1pd5 n PHE 73 N -1.33 0.23 -1.47 -1.84 3.01 -1.04 -4.34 117.46 110.68 1pd5 n PHE 73 Ca 0.00 -0.15 0.05 0.00 1.01 0.00 0.00 57.45 58.36 1pd5 n PHE 73 Cb 0.00 -0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.67 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 1.09 1.62 -2.15 -1.08 1.74 -0.48 -4.58 116.66 112.82 1pd5 n ARG 74 Ca 0.13 -3.16 -0.32 0.00 -0.77 0.00 0.00 57.85 53.73 1pd5 n ARG 74 Cb 0.49 -1.64 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 -3.17 3.52 0.27 5.56 -1.94 -1.24 -1.12 119.30 121.18 1pd5 s MET 75 Ca 0.38 1.11 -0.14 0.00 -1.71 0.00 0.00 55.69 55.33 1pd5 s MET 75 Cb 0.36 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 35.14 1pd5 s MET 75 CO -0.04 -0.64 0.55 0.00 -0.01 0.00 0.00 175.02 174.89 1pd5 s ALA 76 N -2.53 -0.44 -0.27 3.03 0.00 -0.92 -4.53 121.76 116.10 1pd5 s ALA 76 Ca 0.62 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1pd5 s ALA 76 Cb -0.14 1.00 0.04 0.00 0.00 0.00 0.00 23.12 24.02 1pd5 s ALA 76 CO 0.36 -0.90 -0.03 1.41 0.00 0.00 0.00 175.76 176.59 1pd5 s MET 77 N -3.85 2.64 -0.11 0.00 1.75 -1.26 -1.57 119.30 116.91 1pd5 s MET 77 Ca 0.20 -1.11 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1pd5 s MET 77 Cb -0.02 -3.08 0.01 0.00 2.84 0.00 0.00 34.83 34.58 1pd5 s MET 77 CO 0.09 -0.50 -0.17 0.21 -0.65 0.00 0.00 175.02 174.00 1pd5 s LYS 78 N 1.29 2.35 -1.72 4.11 2.20 -0.32 -4.80 119.74 122.85 1pd5 s LYS 78 Ca -0.02 -0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 54.82 1pd5 s LYS 78 Cb -0.18 -1.94 0.14 0.00 -1.51 0.00 0.00 37.83 34.34 1pd5 s LYS 78 CO -0.03 -0.01 0.48 -0.25 -0.36 0.00 0.00 175.35 175.18 1pd5 n ASP 79 N 4.05 -1.35 0.00 1.43 10.43 -1.26 -1.30 116.55 128.55 1pd5 n ASP 79 Ca -0.20 -1.18 0.00 0.00 2.57 0.00 0.00 54.79 55.98 1pd5 n ASP 79 Cb 0.52 -2.00 0.00 0.00 1.84 0.00 0.00 41.12 41.47 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 -1.60 1.70 3.49 0.44 0.00 -1.26 -5.04 105.19 102.93 1pd5 n GLY 80 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.62 1.79 -0.12 1.61 2.02 -0.42 -5.12 118.70 117.85 1pd5 s GLU 81 Ca 0.00 -1.20 -0.27 0.00 0.02 0.00 0.00 54.97 53.53 1pd5 s GLU 81 Cb 0.00 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1pd5 s GLU 81 CO 0.00 0.47 0.88 -1.17 0.02 0.00 0.00 175.26 175.47 1pd5 s LEU 82 N -2.21 4.24 0.23 1.80 2.96 -1.26 -1.17 118.68 123.26 1pd5 s LEU 82 Ca 0.19 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 1pd5 s LEU 82 Cb -0.10 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1pd5 s LEU 82 CO 0.10 -0.36 0.11 0.54 -1.32 0.00 0.00 176.35 175.42 1pd5 s VAL 83 N 1.79 0.30 -0.12 1.68 0.11 -0.61 -2.29 120.40 121.26 1pd5 s VAL 83 Ca 0.43 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.49 1pd5 s VAL 83 Cb -0.18 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1pd5 s VAL 83 CO 0.17 -0.03 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.13 1pd5 s ILE 84 N -3.94 1.52 0.50 7.04 1.01 -0.40 -2.17 121.20 124.76 1pd5 s ILE 84 Ca 0.37 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1pd5 s ILE 84 Cb 0.07 -1.40 -0.07 0.00 0.01 0.00 0.00 42.46 41.08 1pd5 s ILE 84 CO 0.12 0.45 1.29 0.79 0.00 0.00 0.00 174.94 177.59 1pd5 n TRP 85 N 4.34 2.12 -0.24 3.97 5.03 -0.27 -1.81 117.44 130.58 1pd5 n TRP 85 Ca -0.18 0.46 -0.07 0.00 3.03 0.00 0.00 57.50 60.73 1pd5 n TRP 85 Cb 0.51 -2.35 0.06 0.00 -1.03 0.00 0.00 31.31 28.50 1pd5 n TRP 85 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 1pd5 h ASP 86 N 1.63 1.05 -4.31 -0.99 3.45 -1.86 -3.44 116.42 111.95 1pd5 h ASP 86 Ca -0.50 -0.23 -0.38 0.00 0.43 0.00 0.00 57.03 56.35 1pd5 h ASP 86 Cb 1.30 -0.28 -0.19 0.00 -0.56 0.00 0.00 39.33 39.60 1pd5 h ASP 86 CO 0.58 1.02 -0.76 -0.44 -1.57 0.00 0.00 179.24 178.07 1pd5 s SER 87 N -6.49 1.70 0.03 6.45 0.01 -1.26 -5.06 113.70 109.07 1pd5 s SER 87 Ca -0.12 -0.74 0.07 0.00 1.31 0.00 0.00 55.95 56.48 1pd5 s SER 87 Cb 0.15 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 1pd5 s SER 87 CO 0.85 -0.16 -0.21 0.68 0.41 0.00 0.00 173.24 174.81 1pd5 s VAL 88 N -1.92 1.68 -0.09 3.43 -7.23 -1.26 -4.88 120.40 110.13 1pd5 s VAL 88 Ca 0.04 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1pd5 s VAL 88 Cb -0.06 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1pd5 s VAL 88 CO 0.02 0.28 -0.07 -1.00 -0.31 0.00 0.00 175.10 174.02 1pd5 s HIS 89 N -0.72 2.95 0.44 2.82 3.76 -0.74 -4.75 115.29 119.05 1pd5 s HIS 89 Ca 0.08 -0.07 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 1pd5 s HIS 89 Cb -0.09 -1.76 -0.08 0.00 1.11 0.00 0.00 32.58 31.77 1pd5 s HIS 89 CO 0.01 0.24 1.18 -1.25 -0.85 0.00 0.00 174.74 174.07 1pd5 s PRO 90 N -0.55 3.83 -0.20 8.40 0.04 -1.25 -1.94 135.00 143.33 1pd5 s PRO 90 Ca 0.08 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1pd5 s PRO 90 Cb -0.12 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 31.98 1pd5 s PRO 90 CO 0.02 -0.50 -0.03 0.00 0.04 0.00 0.00 177.00 176.52 1pd5 s TYR 92 N 1.59 1.80 0.35 0.00 -0.85 -0.13 -2.27 117.35 117.84 1pd5 s TYR 92 Ca -0.02 -0.42 -0.22 0.00 -0.52 0.00 0.00 57.07 55.88 1pd5 s TYR 92 Cb -0.17 -0.98 -0.10 0.00 0.38 0.00 0.00 41.96 41.09 1pd5 s TYR 92 CO -0.07 0.22 0.89 0.95 -1.52 0.00 0.00 175.55 176.02 1pd5 s THR 93 N -1.28 4.38 -0.06 -3.49 -4.23 -1.08 -2.23 115.64 107.66 1pd5 s THR 93 Ca 0.08 1.52 0.04 0.00 -1.18 0.00 0.00 61.69 62.14 1pd5 s THR 93 Cb -0.09 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1pd5 s THR 93 CO 0.05 -0.06 -0.16 0.68 -0.54 0.00 0.00 174.62 174.58 1pd5 s VAL 94 N -1.86 1.41 -0.10 2.29 -7.23 -0.62 -4.74 120.40 109.55 1pd5 s VAL 94 Ca 0.54 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.85 1pd5 s VAL 94 Cb -0.14 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1pd5 s VAL 94 CO 0.19 0.41 0.49 0.12 -0.31 0.00 0.00 175.10 175.99 1pd5 s PHE 95 N 0.29 3.54 -0.40 2.82 5.36 -1.26 -1.25 117.98 127.07 1pd5 s PHE 95 Ca -0.09 0.93 -0.16 0.00 -0.96 0.00 0.00 56.93 56.65 1pd5 s PHE 95 Cb -0.14 -2.55 0.02 0.00 -0.34 0.00 0.00 43.02 40.01 1pd5 s PHE 95 CO 0.04 0.21 0.34 -1.01 -1.46 0.00 0.00 175.22 173.34 1pd5 s HIS 96 N 0.44 3.21 0.18 10.12 3.76 0.64 -4.99 115.29 128.66 1pd5 s HIS 96 Ca 0.27 -0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 54.64 1pd5 s HIS 96 Cb -0.16 -2.69 0.07 0.00 1.11 0.00 0.00 32.58 30.92 1pd5 s HIS 96 CO 0.11 -0.60 1.57 0.93 -0.85 0.00 0.00 174.74 175.90 1pd5 h GLU 97 N 8.64 0.90 0.00 1.40 4.39 -1.97 0.35 114.58 128.29 1pd5 h GLU 97 Ca -0.27 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1pd5 h GLU 97 Cb 1.12 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1pd5 h GLU 97 CO 0.74 1.04 0.00 1.04 -1.16 0.00 0.00 179.01 180.67 1pd5 n GLN 98 N -4.10 0.95 0.00 2.33 1.13 -1.26 -2.83 117.38 113.59 1pd5 n GLN 98 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pd5 n GLN 98 Cb 0.46 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1pd5 n GLN 98 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1pd5 n THR 99 N -0.88 0.00 -3.18 5.09 -2.24 -1.17 -5.02 114.28 106.89 1pd5 n THR 99 Ca 0.17 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.75 1pd5 n THR 99 Cb 0.08 1.78 -0.01 0.00 -2.10 0.00 0.00 70.33 70.08 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 0.00 -3.06 -4.53 -0.78 1.02 0.10 -4.93 120.64 108.47 1pd5 n GLU 100 Ca 0.00 0.44 -0.28 0.00 -0.02 0.00 0.00 57.16 57.30 1pd5 n GLU 100 Cb 0.22 -5.11 -0.10 0.00 -0.02 0.00 0.00 31.44 26.43 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 -2.81 1.96 0.23 2.62 -4.23 -1.15 -4.99 115.64 107.27 1pd5 s THR 101 Ca 0.31 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1pd5 s THR 101 Cb -0.17 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 1pd5 s THR 101 CO 0.39 0.00 0.06 0.72 -0.54 0.00 0.00 174.62 175.25 1pd5 s PHE 102 N -2.71 1.46 0.28 3.99 -0.12 -1.26 -0.26 117.98 119.36 1pd5 s PHE 102 Ca 0.33 -1.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 1pd5 s PHE 102 Cb 0.08 -0.85 -0.05 0.00 -0.63 0.00 0.00 43.02 41.56 1pd5 s PHE 102 CO 0.17 -0.26 0.08 -1.12 -0.05 0.00 0.00 175.22 174.04 1pd5 s SER 103 N -3.28 1.52 -0.25 1.98 0.01 -0.38 -4.59 113.70 108.71 1pd5 s SER 103 Ca 0.33 -1.38 0.02 0.00 1.31 0.00 0.00 55.95 56.23 1pd5 s SER 103 Cb 0.07 0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.45 1pd5 s SER 103 CO 0.11 -0.69 -0.10 -0.44 0.41 0.00 0.00 173.24 172.53 1pd5 s SER 104 N -3.36 4.30 0.23 2.44 0.01 0.20 -1.59 113.70 115.93 1pd5 s SER 104 Ca 0.37 -1.35 0.06 0.00 1.31 0.00 0.00 55.95 56.35 1pd5 s SER 104 Cb 0.08 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.82 1pd5 s SER 104 CO 0.14 -0.20 0.26 -0.76 0.41 0.00 0.00 173.24 173.09 1pd5 s LEU 105 N 1.17 4.05 0.03 2.44 1.02 -0.95 -4.25 118.68 122.20 1pd5 s LEU 105 Ca -0.08 -0.09 0.06 0.00 0.02 0.00 0.00 54.13 54.04 1pd5 s LEU 105 Cb -0.20 -2.59 -0.02 0.00 0.02 0.00 0.00 46.19 43.40 1pd5 s LEU 105 CO -0.05 -0.04 -0.19 -1.66 0.02 0.00 0.00 176.35 174.43 1pd5 s TRP 106 N -2.02 1.64 0.07 0.29 1.48 -1.26 -0.96 118.94 118.18 1pd5 s TRP 106 Ca 0.33 -0.35 0.06 0.00 -1.06 0.00 0.00 56.10 55.08 1pd5 s TRP 106 Cb -0.09 -1.00 -0.03 0.00 -1.16 0.00 0.00 33.47 31.20 1pd5 s TRP 106 CO 0.27 0.05 -0.17 -1.12 -4.06 0.00 0.00 176.95 171.92 1pd5 s SER 107 N -0.97 1.99 0.09 -2.66 0.01 -0.89 -5.01 113.70 106.26 1pd5 s SER 107 Ca 0.06 -0.59 -0.27 0.00 1.31 0.00 0.00 55.95 56.46 1pd5 s SER 107 Cb -0.08 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 1pd5 s SER 107 CO 0.01 0.01 0.84 -0.70 0.41 0.00 0.00 173.24 173.81 1pd5 s GLU 108 N -1.60 4.59 0.30 12.44 2.12 -1.26 -3.91 118.70 131.38 1pd5 s GLU 108 Ca 0.02 1.23 -0.29 0.00 0.36 0.00 0.00 54.97 56.29 1pd5 s GLU 108 Cb -0.09 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.85 1pd5 s GLU 108 CO 0.03 0.31 1.14 -0.47 -0.54 0.00 0.00 175.26 175.73 1pd5 s TYR 109 N -0.25 3.45 -0.11 5.30 5.04 -1.26 -4.83 117.35 124.69 1pd5 s TYR 109 Ca 0.41 1.64 -0.20 0.00 -2.44 0.00 0.00 57.07 56.48 1pd5 s TYR 109 Cb -0.22 -3.37 0.05 0.00 0.35 0.00 0.00 41.96 38.77 1pd5 s TYR 109 CO 0.26 -0.84 0.49 -1.01 -1.34 0.00 0.00 175.55 173.12 1pd5 s HIS 110 N -1.17 -0.48 0.21 4.97 3.76 -1.26 -5.05 115.29 116.27 1pd5 s HIS 110 Ca 0.46 1.02 -0.09 0.00 -0.15 0.00 0.00 55.06 56.30 1pd5 s HIS 110 Cb -0.33 0.21 0.27 0.00 1.11 0.00 0.00 32.58 33.84 1pd5 s HIS 110 CO 0.43 -0.37 1.78 -0.44 -0.85 0.00 0.00 174.74 175.29 1pd5 h ASP 111 N 4.45 0.42 -2.33 1.40 5.19 -1.99 -3.40 116.42 120.16 1pd5 h ASP 111 Ca -0.28 0.05 -0.53 0.00 -0.62 0.00 0.00 57.03 55.65 1pd5 h ASP 111 Cb 1.17 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.62 1pd5 h ASP 111 CO 0.29 0.26 1.31 -0.62 -3.12 0.00 0.00 179.24 177.35 1pd5 s ASP 112 N -5.50 5.57 0.43 6.45 -1.08 -1.26 -4.87 116.67 116.41 1pd5 s ASP 112 Ca -0.13 0.75 0.27 0.00 -0.52 0.00 0.00 52.55 52.93 1pd5 s ASP 112 Cb 0.17 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 40.43 1pd5 s ASP 112 CO 0.75 -2.07 1.68 0.15 0.52 0.00 0.00 175.17 176.21 1pd5 h PHE 113 N 13.96 0.52 -0.04 -5.34 3.57 -1.77 0.12 116.94 127.96 1pd5 h PHE 113 Ca -0.29 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.07 1pd5 h PHE 113 Cb 1.16 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1pd5 h PHE 113 CO 1.00 -0.10 -0.71 0.00 -2.23 0.00 0.00 178.31 176.28 1pd5 h ARG 114 N 0.18 0.20 -0.61 1.11 3.08 -1.89 1.78 114.38 118.23 1pd5 h ARG 114 Ca 0.73 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 60.52 1pd5 h ARG 114 Cb 2.23 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.29 1pd5 h ARG 114 CO -0.35 0.82 0.01 0.37 -1.07 0.00 0.00 179.97 179.75 1pd5 h GLN 115 N 0.13 1.07 -0.14 0.04 5.75 -1.38 -1.75 115.11 118.84 1pd5 h GLN 115 Ca -0.02 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.09 1pd5 h GLN 115 Cb 1.25 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1pd5 h GLN 115 CO 0.11 1.04 -0.15 0.35 -2.65 0.00 0.00 178.83 177.53 1pd5 h PHE 116 N 0.97 0.41 -0.50 3.99 3.57 0.08 -2.74 116.94 122.72 1pd5 h PHE 116 Ca 0.17 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1pd5 h PHE 116 Cb 0.55 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1pd5 h PHE 116 CO 0.04 0.74 0.32 1.25 -2.23 0.00 0.00 178.31 178.44 1pd5 h LEU 117 N -0.04 0.55 -0.58 0.59 5.85 0.27 0.16 115.31 122.11 1pd5 h LEU 117 Ca 0.02 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1pd5 h LEU 117 Cb 0.68 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 41.46 1pd5 h LEU 117 CO 0.04 0.40 -0.25 -0.74 -0.34 0.00 0.00 178.44 177.55 1pd5 h HIS 118 N 0.66 -0.63 -0.09 1.25 2.76 -1.24 0.57 115.15 118.43 1pd5 h HIS 118 Ca 0.19 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1pd5 h HIS 118 Cb -0.06 0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1pd5 h HIS 118 CO -0.05 -0.33 0.03 0.82 -1.30 0.00 0.00 177.93 177.10 1pd5 h ILE 119 N -0.10 1.17 -0.80 6.26 2.04 -1.12 -1.42 117.51 123.53 1pd5 h ILE 119 Ca 0.26 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1pd5 h ILE 119 Cb 0.51 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1pd5 h ILE 119 CO -0.64 0.15 0.53 0.22 0.00 0.00 0.00 178.15 178.40 1pd5 h TYR 120 N -0.04 0.88 -0.25 1.37 3.20 -0.57 0.16 116.97 121.72 1pd5 h TYR 120 Ca 0.03 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1pd5 h TYR 120 Cb 0.21 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1pd5 h TYR 120 CO -0.01 0.46 -0.22 0.77 -1.64 0.00 0.00 178.16 177.52 1pd5 h SER 121 N 0.87 0.46 -0.38 -2.11 0.02 0.49 0.46 113.55 113.36 1pd5 h SER 121 Ca 0.35 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 61.02 1pd5 h SER 121 Cb 0.25 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1pd5 h SER 121 CO -0.12 0.69 -0.26 -0.61 -1.14 0.00 0.00 176.83 175.39 1pd5 h GLN 122 N 0.42 0.86 -0.47 3.45 4.15 -0.54 -2.02 115.11 120.95 1pd5 h GLN 122 Ca 0.07 -0.41 -0.10 0.00 0.77 0.00 0.00 58.65 58.97 1pd5 h GLN 122 Cb 0.62 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1pd5 h GLN 122 CO 0.04 1.05 -0.11 -0.44 -1.93 0.00 0.00 178.83 177.44 1pd5 h ASP 123 N 0.66 0.87 -0.42 -0.69 3.32 0.07 -2.66 116.42 117.57 1pd5 h ASP 123 Ca 0.08 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1pd5 h ASP 123 Cb 0.84 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1pd5 h ASP 123 CO 0.07 1.00 -0.14 0.58 -1.72 0.00 0.00 179.24 179.03 1pd5 h VAL 124 N 0.78 1.28 -0.04 -1.35 2.07 -0.94 -1.82 116.25 116.22 1pd5 h VAL 124 Ca 0.13 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 1pd5 h VAL 124 Cb 0.63 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1pd5 h VAL 124 CO 0.04 0.42 -0.39 0.00 0.02 0.00 0.00 177.57 177.66 1pd5 h ALA 125 N 0.84 1.26 0.12 1.67 0.00 -1.34 0.38 119.26 122.19 1pd5 h ALA 125 Ca 0.10 -0.38 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 1pd5 h ALA 125 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1pd5 h ALA 125 CO 0.05 0.53 -1.76 0.00 0.00 0.00 0.00 179.25 178.06 1pd5 n TYR 127 N -3.44 0.00 0.27 0.00 4.01 -0.68 -4.74 117.16 112.57 1pd5 n TYR 127 Ca -0.24 -0.28 0.15 0.00 -0.16 0.00 0.00 57.90 57.38 1pd5 n TYR 127 Cb 1.05 -0.03 0.72 0.00 -0.31 0.00 0.00 39.34 40.78 1pd5 n TYR 127 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1pd5 h GLY 128 N 0.00 0.00 -1.61 2.72 0.00 -0.36 -2.97 103.07 100.85 1pd5 h GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pd5 h GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1pd5 n GLU 129 N -3.32 2.51 -2.72 4.80 -0.58 -1.26 -4.91 120.64 115.15 1pd5 n GLU 129 Ca -0.01 -2.08 -0.42 0.00 -0.42 0.00 0.00 57.16 54.23 1pd5 n GLU 129 Cb 0.28 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.78 1pd5 n GLU 129 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1pd5 s ASN 130 N -1.04 7.29 0.00 1.62 3.84 -1.13 -4.92 114.94 120.60 1pd5 s ASN 130 Ca 0.28 1.57 0.28 0.00 0.21 0.00 0.00 52.86 55.20 1pd5 s ASN 130 Cb 0.15 -2.55 1.04 0.00 -0.55 0.00 0.00 41.25 39.34 1pd5 s ASN 130 CO 0.21 -0.34 1.74 0.18 -2.79 0.00 0.00 177.10 176.09 1pd5 n LEU 131 N 4.43 1.36 -4.77 3.21 4.77 -1.26 -4.86 117.00 119.88 1pd5 n LEU 131 Ca 0.07 -0.44 -0.40 0.00 -0.03 0.00 0.00 56.01 55.21 1pd5 n LEU 131 Cb 0.50 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1pd5 n LEU 131 CO 0.52 0.23 1.10 0.00 -1.33 0.00 0.00 177.39 177.91 1pd5 n ALA 132 N -0.00 2.18 -0.34 -1.18 0.00 -1.26 -4.88 120.51 115.03 1pd5 n ALA 132 Ca 0.18 0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 1pd5 n ALA 132 Cb 0.34 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.35 1pd5 n ALA 132 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pd5 h TYR 133 N 2.53 -1.48 -3.03 0.00 3.20 -1.90 -3.27 116.97 113.01 1pd5 h TYR 133 Ca -0.51 0.11 -0.62 0.00 3.14 0.00 0.00 58.73 60.85 1pd5 h TYR 133 Cb 1.26 0.77 -0.41 0.00 1.54 0.00 0.00 36.73 39.88 1pd5 h TYR 133 CO 0.51 -0.40 -0.62 -0.06 -1.64 0.00 0.00 178.16 175.95 1pd5 s PHE 134 N -5.73 3.26 0.14 -3.82 0.40 -1.26 0.60 117.98 111.56 1pd5 s PHE 134 Ca -0.13 -3.21 -0.23 0.00 -0.60 0.00 0.00 56.93 52.76 1pd5 s PHE 134 Cb 0.14 -2.52 0.01 0.00 0.51 0.00 0.00 43.02 41.16 1pd5 s PHE 134 CO 0.66 -0.59 1.63 -1.35 0.70 0.00 0.00 175.22 176.27 1pd5 h PRO 135 N 5.54 -0.26 -0.09 0.24 0.11 -1.74 -1.55 132.00 134.26 1pd5 h PRO 135 Ca 0.14 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1pd5 h PRO 135 Cb 0.78 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1pd5 h PRO 135 CO 0.68 -0.18 0.00 1.63 -0.21 0.00 0.00 178.00 179.92 1pd5 n LYS 136 N -5.37 1.56 0.00 1.05 5.02 -1.26 -5.02 118.16 114.14 1pd5 n LYS 136 Ca -0.02 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 1pd5 n LYS 136 Cb 0.28 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.09 -1.95 3.30 0.72 0.00 -0.58 -4.99 105.19 102.77 1pd5 n GLY 137 Ca 0.17 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 1.48 0.42 1.61 -0.12 -1.26 -4.77 117.98 115.33 1pd5 s PHE 138 Ca 0.00 -1.16 0.04 0.00 -0.05 0.00 0.00 56.93 55.76 1pd5 s PHE 138 Cb 0.00 -0.86 -0.02 0.00 -0.63 0.00 0.00 43.02 41.51 1pd5 s PHE 138 CO 0.00 -0.32 0.11 0.96 -0.05 0.00 0.00 175.22 175.92 1pd5 s ILE 139 N -3.75 0.67 -2.08 -4.49 -4.36 -1.26 -5.03 121.20 100.91 1pd5 s ILE 139 Ca 0.36 -2.00 0.25 0.00 -0.26 0.00 0.00 60.65 58.99 1pd5 s ILE 139 Cb 0.07 -2.33 0.19 0.00 1.25 0.00 0.00 42.46 41.65 1pd5 s ILE 139 CO 0.12 0.00 1.38 -1.84 0.24 0.00 0.00 174.94 174.84 1pd5 n GLU 140 N -0.95 1.23 -3.40 0.37 0.28 -1.26 -4.36 120.64 112.55 1pd5 n GLU 140 Ca -0.07 -0.89 -0.27 0.00 -0.16 0.00 0.00 57.16 55.77 1pd5 n GLU 140 Cb 0.65 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.96 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 -0.11 3.10 -4.54 -1.84 6.94 -1.26 -5.07 115.26 112.48 1pd5 n ASN 141 Ca 0.12 -3.30 -0.27 0.00 -0.02 0.00 0.00 54.58 51.12 1pd5 n ASN 141 Cb 0.42 -0.67 -0.10 0.00 -2.36 0.00 0.00 39.78 37.07 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 -2.20 1.90 0.11 -3.83 -1.94 -1.26 -1.79 119.30 110.30 1pd5 s MET 142 Ca 0.38 -2.11 0.03 0.00 -1.71 0.00 0.00 55.69 52.28 1pd5 s MET 142 Cb 0.14 -1.26 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 1pd5 s MET 142 CO -0.04 -0.20 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.11 1pd5 s PHE 143 N -2.98 1.00 0.01 -0.03 -0.12 -0.82 -4.75 117.98 110.28 1pd5 s PHE 143 Ca 0.29 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 1pd5 s PHE 143 Cb 0.07 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 1pd5 s PHE 143 CO 0.14 -0.07 -0.03 -0.06 -0.05 0.00 0.00 175.22 175.15 1pd5 s PHE 144 N -3.32 2.98 -0.11 3.49 0.40 0.51 -1.66 117.98 120.27 1pd5 s PHE 144 Ca 0.12 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1pd5 s PHE 144 Cb 0.03 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.95 1pd5 s PHE 144 CO -0.03 0.42 -0.08 0.08 0.70 0.00 0.00 175.22 176.32 1pd5 s VAL 145 N -1.06 1.02 -0.03 -0.44 1.01 -0.96 0.14 120.40 120.08 1pd5 s VAL 145 Ca 0.19 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1pd5 s VAL 145 Cb -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1pd5 s VAL 145 CO 0.09 0.37 0.00 -0.44 0.00 0.00 0.00 175.10 175.12 1pd5 s SER 146 N 1.68 5.16 -0.36 3.32 0.01 -0.27 -2.62 113.70 120.62 1pd5 s SER 146 Ca 0.04 0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.17 1pd5 s SER 146 Cb -0.13 -1.38 -0.00 0.00 0.21 0.00 0.00 66.02 64.72 1pd5 s SER 146 CO -0.08 0.31 0.47 0.00 0.41 0.00 0.00 173.24 174.35 1pd5 s ALA 147 N -1.03 3.47 -0.79 1.44 0.00 -1.26 -0.45 121.76 123.14 1pd5 s ALA 147 Ca 0.18 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1pd5 s ALA 147 Cb -0.11 -2.97 0.27 0.00 0.00 0.00 0.00 23.12 20.30 1pd5 s ALA 147 CO 0.08 -1.23 0.98 -1.71 0.00 0.00 0.00 175.76 173.88 1pd5 n ASN 148 N 5.65 4.62 0.00 0.00 5.15 0.40 -4.91 115.26 126.17 1pd5 n ASN 148 Ca -0.06 -3.42 0.06 0.00 -0.60 0.00 0.00 54.58 50.56 1pd5 n ASN 148 Cb 0.49 -0.88 0.25 0.00 -0.53 0.00 0.00 39.78 39.11 1pd5 n ASN 148 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pd5 n PRO 149 N 1.08 0.02 0.11 1.20 -0.04 -1.26 -3.31 135.00 132.80 1pd5 n PRO 149 Ca 0.28 0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 1pd5 n PRO 149 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1pd5 n PRO 149 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1pd5 h TRP 150 N 0.00 0.00 -3.80 0.54 6.55 -1.93 -3.41 115.95 113.91 1pd5 h TRP 150 Ca 0.00 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.48 1pd5 h TRP 150 Cb 0.19 0.00 -0.30 0.00 -0.86 0.00 0.00 29.16 28.19 1pd5 h TRP 150 CO 0.00 0.67 -0.76 0.08 -1.05 0.00 0.00 178.44 177.38 1pd5 s VAL 151 N -2.89 0.48 -1.20 1.49 1.01 -1.21 -4.91 120.40 113.17 1pd5 s VAL 151 Ca 0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1pd5 s VAL 151 Cb 0.08 -0.44 0.22 0.00 0.00 0.00 0.00 36.38 36.24 1pd5 s VAL 151 CO 0.77 0.16 1.65 -1.20 0.00 0.00 0.00 175.10 176.48 1pd5 n SER 152 N 3.27 5.54 -4.76 3.32 7.64 -1.26 -1.67 113.62 125.70 1pd5 n SER 152 Ca -0.17 -3.18 -0.34 0.00 1.01 0.00 0.00 58.87 56.19 1pd5 n SER 152 Cb 0.56 -1.42 0.04 0.00 -1.01 0.00 0.00 64.21 62.37 1pd5 n SER 152 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1pd5 s PHE 153 N -0.53 2.52 -0.90 1.43 -0.12 -1.26 -4.90 117.98 114.22 1pd5 s PHE 153 Ca 0.37 1.55 0.23 0.00 -0.05 0.00 0.00 56.93 59.03 1pd5 s PHE 153 Cb 0.05 -3.29 0.06 0.00 -0.63 0.00 0.00 43.02 39.22 1pd5 s PHE 153 CO 0.03 -1.85 1.08 2.41 -0.05 0.00 0.00 175.22 176.84 1pd5 n THR 154 N -2.04 0.03 -3.62 -4.49 -1.04 -1.26 -4.70 114.28 97.16 1pd5 n THR 154 Ca 0.12 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.92 1pd5 n THR 154 Cb 0.51 0.58 -0.07 0.00 -1.82 0.00 0.00 70.33 69.53 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 -3.21 -0.71 -0.08 8.00 0.15 -1.26 -4.83 113.70 111.76 1pd5 s SER 155 Ca 0.08 1.26 -0.10 0.00 0.70 0.00 0.00 55.95 57.89 1pd5 s SER 155 Cb 0.16 1.24 0.02 0.00 -1.71 0.00 0.00 66.02 65.74 1pd5 s SER 155 CO 0.80 -0.32 0.26 0.12 1.20 0.00 0.00 173.24 175.30 1pd5 s PHE 156 N 0.05 -0.25 -0.30 3.44 5.36 -1.26 -5.11 117.98 119.91 1pd5 s PHE 156 Ca -0.02 0.58 -0.05 0.00 -0.96 0.00 0.00 56.93 56.48 1pd5 s PHE 156 Cb -0.04 0.09 0.17 0.00 -0.34 0.00 0.00 43.02 42.89 1pd5 s PHE 156 CO 0.03 -0.18 0.67 0.34 -1.46 0.00 0.00 175.22 174.62 1pd5 s ASP 157 N -0.15 -1.21 -0.23 6.13 2.15 -1.26 -4.67 116.67 117.44 1pd5 s ASP 157 Ca -0.03 1.07 -0.07 0.00 0.43 0.00 0.00 52.55 53.95 1pd5 s ASP 157 Cb -0.03 2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 44.70 1pd5 s ASP 157 CO 0.01 -0.23 0.07 -0.22 -0.17 0.00 0.00 175.17 174.63 1pd5 s LEU 158 N 2.86 3.55 -0.34 -1.34 1.98 -1.26 -5.03 118.68 119.09 1pd5 s LEU 158 Ca 0.09 -0.12 0.04 0.00 -2.89 0.00 0.00 54.13 51.25 1pd5 s LEU 158 Cb -0.13 -1.93 0.10 0.00 0.66 0.00 0.00 46.19 44.89 1pd5 s LEU 158 CO -0.19 0.03 0.06 0.21 -1.89 0.00 0.00 176.35 174.57 1pd5 s ASN 159 N 1.20 4.79 0.10 3.68 3.04 -1.26 -4.95 114.94 121.55 1pd5 s ASN 159 Ca 0.05 -2.13 -0.24 0.00 0.04 0.00 0.00 52.86 50.57 1pd5 s ASN 159 Cb -0.14 -1.64 -0.07 0.00 -1.54 0.00 0.00 41.25 37.86 1pd5 s ASN 159 CO 0.03 -0.39 0.74 0.54 -3.04 0.00 0.00 177.10 174.98 1pd5 s VAL 160 N 0.92 4.59 0.19 -5.21 0.11 -1.26 -4.98 120.40 114.76 1pd5 s VAL 160 Ca 0.10 1.59 -0.09 0.00 -2.93 0.00 0.00 61.98 60.64 1pd5 s VAL 160 Cb -0.19 -4.09 0.10 0.00 -1.53 0.00 0.00 36.38 30.67 1pd5 s VAL 160 CO -0.08 0.46 1.72 0.00 -3.33 0.00 0.00 175.10 173.87 1pd5 h ALA 161 N 4.97 0.89 -3.25 1.54 0.00 -2.06 -3.41 119.26 117.93 1pd5 h ALA 161 Ca -0.46 -0.23 -0.49 0.00 0.00 0.00 0.00 54.91 53.74 1pd5 h ALA 161 Cb 1.21 -0.26 -0.38 0.00 0.00 0.00 0.00 17.79 18.35 1pd5 h ALA 161 CO 0.68 0.59 -0.78 1.21 0.00 0.00 0.00 179.25 180.95 1pd5 s ASN 162 N -6.35 2.12 0.00 0.00 2.47 -1.26 -4.97 114.94 106.95 1pd5 s ASN 162 Ca -0.12 -0.34 0.19 0.00 0.42 0.00 0.00 52.86 53.00 1pd5 s ASN 162 Cb 0.14 -0.62 0.11 0.00 -1.45 0.00 0.00 41.25 39.44 1pd5 s ASN 162 CO 0.83 -0.20 1.06 1.15 -3.72 0.00 0.00 177.10 176.22 1pd5 n MET 163 N 5.05 1.61 -1.70 0.43 0.00 -1.26 -4.89 117.12 116.36 1pd5 n MET 163 Ca -0.09 -1.44 -0.56 0.00 0.00 0.00 0.00 57.70 55.60 1pd5 n MET 163 Cb 0.49 -1.35 -0.07 0.00 0.00 0.00 0.00 33.22 32.29 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 0.79 2.51 -0.58 3.17 8.00 -1.26 -1.04 116.55 128.14 1pd5 n ASP 164 Ca 0.10 1.04 -0.08 0.00 0.71 0.00 0.00 54.79 56.57 1pd5 n ASP 164 Cb 0.45 -1.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 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 5.70 -4.94 -4.39 -2.24 3.02 -1.26 -4.88 115.26 106.28 1pd5 n ASN 165 Ca 0.27 0.19 -0.45 0.00 -0.03 0.00 0.00 54.58 54.56 1pd5 n ASN 165 Cb 0.15 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.18 1pd5 n ASN 165 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1pd5 s PHE 166 N -1.94 3.15 -0.51 3.10 5.36 -0.21 -4.71 117.98 122.23 1pd5 s PHE 166 Ca 0.00 -1.24 0.07 0.00 -0.96 0.00 0.00 56.93 54.80 1pd5 s PHE 166 Cb 0.00 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.59 1pd5 s PHE 166 CO 0.00 -1.31 0.42 1.19 -1.46 0.00 0.00 175.22 174.07 1pd5 n PHE 167 N 6.02 0.00 -2.22 10.12 3.72 -1.26 -4.55 117.46 129.28 1pd5 n PHE 167 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 1pd5 n PHE 167 Cb 0.45 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.35 3.33 0.43 4.37 0.00 -1.26 -4.70 121.76 122.57 1pd5 s ALA 168 Ca 0.04 0.36 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 1pd5 s ALA 168 Cb 0.06 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1pd5 s ALA 168 CO 0.23 -1.85 1.39 -2.30 0.00 0.00 0.00 175.76 173.23 1pd5 n PRO 169 N 7.49 2.22 -4.37 0.00 -0.02 -1.26 -4.77 135.00 134.30 1pd5 n PRO 169 Ca 0.17 0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 62.11 1pd5 n PRO 169 Cb 0.46 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 1pd5 n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pd5 s VAL 170 N -1.18 2.21 0.07 -1.45 1.01 -0.97 -0.36 120.40 119.72 1pd5 s VAL 170 Ca 0.60 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1pd5 s VAL 170 Cb -0.47 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1pd5 s VAL 170 CO 0.59 0.53 0.04 -0.36 0.00 0.00 0.00 175.10 175.90 1pd5 s PHE 171 N 1.06 3.11 -0.08 5.22 0.40 0.36 -1.59 117.98 126.46 1pd5 s PHE 171 Ca -0.01 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1pd5 s PHE 171 Cb -0.14 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1pd5 s PHE 171 CO -0.07 0.50 -0.10 0.99 0.70 0.00 0.00 175.22 177.25 1pd5 s THR 172 N -1.31 1.01 -0.22 0.64 2.01 -0.04 -1.12 115.64 116.60 1pd5 s THR 172 Ca 0.26 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 1pd5 s THR 172 Cb -0.12 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1pd5 s THR 172 CO 0.19 0.34 0.14 -0.04 -0.69 0.00 0.00 174.62 174.56 1pd5 s MET 173 N 1.06 4.08 0.00 4.92 -1.94 0.40 -2.15 119.30 125.68 1pd5 s MET 173 Ca -0.07 -0.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1pd5 s MET 173 Cb -0.14 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.23 1pd5 s MET 173 CO -0.01 0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 1pd5 n GLY 174 N 4.01 0.24 3.55 -0.03 0.00 0.71 -0.45 105.19 113.22 1pd5 n GLY 174 Ca -0.15 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.22 3.63 0.69 1.61 2.20 -0.67 -4.66 119.74 122.33 1pd5 s LYS 175 Ca 0.00 -0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 1pd5 s LYS 175 Cb 0.00 -3.79 0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1pd5 s LYS 175 CO 0.00 -0.52 1.14 1.52 -0.36 0.00 0.00 175.35 177.12 1pd5 s TYR 176 N 2.11 2.41 0.01 4.03 -0.85 -1.26 -4.21 117.35 119.60 1pd5 s TYR 176 Ca 0.14 1.58 -0.22 0.00 -0.52 0.00 0.00 57.07 58.05 1pd5 s TYR 176 Cb -0.16 -3.26 0.05 0.00 0.38 0.00 0.00 41.96 38.97 1pd5 s TYR 176 CO 0.12 -2.00 0.48 1.52 -1.52 0.00 0.00 175.55 174.15 1pd5 s TYR 177 N -2.27 -0.38 0.36 -3.49 -0.85 -0.90 -5.00 117.35 104.81 1pd5 s TYR 177 Ca 0.69 0.50 -0.25 0.00 -0.52 0.00 0.00 57.07 57.49 1pd5 s TYR 177 Cb -0.23 0.27 -0.10 0.00 0.38 0.00 0.00 41.96 42.29 1pd5 s TYR 177 CO 0.44 -0.56 0.96 0.99 -1.52 0.00 0.00 175.55 175.86 1pd5 s THR 178 N -1.95 4.16 -0.35 -3.49 2.01 -1.26 -1.92 115.64 112.83 1pd5 s THR 178 Ca -0.08 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1pd5 s THR 178 Cb -0.02 -3.87 0.15 0.00 0.01 0.00 0.00 72.50 68.77 1pd5 s THR 178 CO 0.02 0.03 0.37 -1.58 -0.69 0.00 0.00 174.62 172.77 1pd5 s GLN 179 N -2.34 0.57 7.88 4.92 0.74 -0.25 -4.90 119.66 126.27 1pd5 s GLN 179 Ca 0.54 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.28 1pd5 s GLN 179 Cb -0.17 -0.68 0.00 0.00 1.10 0.00 0.00 33.01 33.26 1pd5 s GLN 179 CO 0.22 -1.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.22 1pd5 n GLY 180 N 4.51 3.25 0.11 2.59 0.00 -1.26 -2.06 105.19 112.33 1pd5 n GLY 180 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1pd5 n GLY 180 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pd5 h ASP 181 N 0.00 0.08 -3.90 1.61 3.45 -2.03 -3.48 116.42 112.14 1pd5 h ASP 181 Ca 0.00 -0.06 -0.46 0.00 0.43 0.00 0.00 57.03 56.93 1pd5 h ASP 181 Cb 0.00 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1pd5 h ASP 181 CO 0.00 0.84 0.25 -0.54 -1.57 0.00 0.00 179.24 178.22 1pd5 s LYS 182 N -3.26 4.21 -0.32 3.56 1.02 -0.87 -5.02 119.74 119.06 1pd5 s LYS 182 Ca -0.01 1.00 -0.05 0.00 0.02 0.00 0.00 55.97 56.93 1pd5 s LYS 182 Cb 0.11 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1pd5 s LYS 182 CO 0.80 0.10 0.06 0.08 -0.92 0.00 0.00 175.35 175.46 1pd5 s VAL 183 N -2.00 3.48 0.06 3.17 1.01 -1.26 -1.09 120.40 123.77 1pd5 s VAL 183 Ca 0.57 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1pd5 s VAL 183 Cb -0.11 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1pd5 s VAL 183 CO 0.16 -0.13 0.37 -0.76 0.00 0.00 0.00 175.10 174.75 1pd5 s LEU 184 N 1.35 4.36 -0.05 3.92 1.43 -0.81 -0.70 118.68 128.18 1pd5 s LEU 184 Ca -0.03 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1pd5 s LEU 184 Cb -0.19 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1pd5 s LEU 184 CO 0.01 0.20 -0.14 -0.32 0.23 0.00 0.00 176.35 176.33 1pd5 s MET 185 N -1.84 1.62 0.11 1.70 -2.45 0.10 -2.12 119.30 116.43 1pd5 s MET 185 Ca 0.31 -0.49 -0.31 0.00 -1.25 0.00 0.00 55.69 53.95 1pd5 s MET 185 Cb -0.14 -1.39 -0.08 0.00 1.25 0.00 0.00 34.83 34.47 1pd5 s MET 185 CO 0.17 0.14 1.49 -2.14 1.05 0.00 0.00 175.02 175.74 1pd5 s PRO 186 N 0.29 4.26 -0.04 4.11 0.02 -1.26 0.42 135.00 142.79 1pd5 s PRO 186 Ca -0.08 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.15 1pd5 s PRO 186 Cb -0.13 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.11 1pd5 s PRO 186 CO 0.03 -0.56 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.94 1pd5 s LEU 187 N 1.51 1.28 0.05 -5.54 2.96 0.32 -0.21 118.68 119.04 1pd5 s LEU 187 Ca 0.68 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.57 1pd5 s LEU 187 Cb -0.39 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1pd5 s LEU 187 CO 0.30 -0.07 -0.22 0.00 -1.32 0.00 0.00 176.35 175.05 1pd5 s ALA 188 N 0.96 1.88 -0.04 5.97 0.00 -0.91 -0.24 121.76 129.37 1pd5 s ALA 188 Ca -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1pd5 s ALA 188 Cb -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1pd5 s ALA 188 CO -0.00 0.42 0.09 -1.50 0.00 0.00 0.00 175.76 174.77 1pd5 s ILE 189 N -0.86 -0.05 -0.28 0.00 1.10 -0.41 -0.86 121.20 119.84 1pd5 s ILE 189 Ca 0.08 0.18 -0.04 0.00 -0.51 0.00 0.00 60.65 60.36 1pd5 s ILE 189 Cb -0.09 -0.16 0.02 0.00 0.15 0.00 0.00 42.46 42.38 1pd5 s ILE 189 CO 0.02 0.08 0.02 -1.58 -2.11 0.00 0.00 174.94 171.37 1pd5 s GLN 190 N 1.05 2.93 0.44 3.50 -0.44 -0.62 -1.73 119.66 124.79 1pd5 s GLN 190 Ca -0.08 -0.94 0.06 0.00 -2.50 0.00 0.00 55.36 51.89 1pd5 s GLN 190 Cb -0.11 -3.21 -0.06 0.00 -1.64 0.00 0.00 33.01 27.99 1pd5 s GLN 190 CO -0.04 -0.44 0.04 0.14 0.50 0.00 0.00 175.29 175.48 1pd5 s VAL 191 N 1.41 1.82 -0.16 1.34 -7.23 -0.50 -2.30 120.40 114.78 1pd5 s VAL 191 Ca 0.01 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 1pd5 s VAL 191 Cb -0.17 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1pd5 s VAL 191 CO -0.01 0.00 0.38 -2.28 -0.31 0.00 0.00 175.10 172.88 1pd5 s HIS 192 N -2.74 3.44 0.56 2.82 2.46 -1.26 -0.58 115.29 120.00 1pd5 s HIS 192 Ca 0.28 0.68 0.25 0.00 0.47 0.00 0.00 55.06 56.74 1pd5 s HIS 192 Cb 0.07 -2.46 1.63 0.00 -0.13 0.00 0.00 32.58 31.68 1pd5 s HIS 192 CO 0.15 0.13 2.22 1.25 -2.47 0.00 0.00 174.74 176.02 1pd5 h HIS 193 N 6.94 0.00 0.00 3.88 2.76 -1.47 -1.54 115.15 125.71 1pd5 h HIS 193 Ca -0.39 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.74 1pd5 h HIS 193 Cb 1.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 1pd5 h HIS 193 CO 0.63 0.00 -0.17 0.00 -1.30 0.00 0.00 177.93 177.10 1pd5 h ALA 194 N 2.00 0.99 0.00 5.26 0.00 -1.79 -3.22 119.26 122.50 1pd5 h ALA 194 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pd5 h ALA 194 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pd5 h ALA 194 CO 0.00 0.21 -1.62 1.33 0.00 0.00 0.00 179.25 179.17 1pd5 n VAL 195 N -3.28 0.00 -4.16 0.00 0.24 -0.89 -4.47 118.33 105.78 1pd5 n VAL 195 Ca 0.01 -0.31 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 1pd5 n VAL 195 Cb 0.43 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.06 4.47 0.18 0.00 -0.00 -1.26 -4.11 116.67 117.00 1pd5 s ASP 197 Ca -0.09 0.03 -0.14 0.00 -0.00 0.00 0.00 52.55 52.35 1pd5 s ASP 197 Cb -0.14 -0.53 0.14 0.00 -0.00 0.00 0.00 42.92 42.40 1pd5 s ASP 197 CO -0.01 -1.78 1.73 1.23 -0.00 0.00 0.00 175.17 176.34 1pd5 h GLY 198 N -0.60 0.55 -0.34 0.21 0.00 -1.99 0.99 103.07 101.89 1pd5 h GLY 198 Ca -0.41 -0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.01 1pd5 h GLY 198 CO 0.48 -0.03 -0.17 -2.75 0.00 0.00 0.00 176.54 174.07 1pd5 h PHE 199 N 0.26 -0.37 -0.53 5.60 3.04 -1.98 0.08 116.94 123.04 1pd5 h PHE 199 Ca 0.22 0.06 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 1pd5 h PHE 199 Cb 0.26 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1pd5 h PHE 199 CO -0.20 -0.29 0.01 0.45 -2.02 0.00 0.00 178.31 176.27 1pd5 h HIS 200 N -0.00 1.01 -0.28 0.41 -0.00 -1.19 0.68 115.15 115.77 1pd5 h HIS 200 Ca 0.32 -0.17 -0.13 0.00 -0.00 0.00 0.00 60.37 60.39 1pd5 h HIS 200 Cb 0.49 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.63 1pd5 h HIS 200 CO -0.54 0.92 -0.34 0.28 -0.00 0.00 0.00 177.93 178.25 1pd5 h VAL 201 N 0.80 1.30 -0.53 2.45 2.07 -1.34 0.31 116.25 121.31 1pd5 h VAL 201 Ca 0.15 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 1pd5 h VAL 201 Cb 0.51 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1pd5 h VAL 201 CO 0.02 0.49 0.07 1.23 0.02 0.00 0.00 177.57 179.40 1pd5 h GLY 202 N 0.47 0.92 1.00 2.17 0.00 -0.66 -1.15 103.07 105.83 1pd5 h GLY 202 Ca 0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1pd5 h GLY 202 CO 0.08 0.54 -0.01 -0.09 0.00 0.00 0.00 176.54 177.05 1pd5 h ARG 203 N 0.81 -0.04 -0.76 4.80 2.43 0.61 -2.71 114.38 119.53 1pd5 h ARG 203 Ca 0.17 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 1pd5 h ARG 203 Cb 0.38 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1pd5 h ARG 203 CO 0.01 -0.02 0.38 1.98 -1.51 0.00 0.00 179.97 180.81 1pd5 h MET 204 N -0.04 0.61 0.24 0.20 4.05 -0.52 -0.72 114.93 118.75 1pd5 h MET 204 Ca -0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1pd5 h MET 204 Cb 0.03 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1pd5 h MET 204 CO 0.01 0.41 -0.11 -0.07 0.23 0.00 0.00 176.91 177.37 1pd5 h LEU 205 N 0.63 -0.27 -0.84 3.39 3.38 -1.15 0.68 115.31 121.14 1pd5 h LEU 205 Ca 0.38 -0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.43 1pd5 h LEU 205 Cb 0.43 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 1pd5 h LEU 205 CO -0.29 -0.03 0.19 0.78 0.09 0.00 0.00 178.44 179.19 1pd5 h ASN 206 N -0.51 -0.04 -0.25 -0.43 2.35 -1.39 0.17 115.58 115.47 1pd5 h ASN 206 Ca -0.03 0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 55.72 1pd5 h ASN 206 Cb 0.38 0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1pd5 h ASN 206 CO 0.05 -0.13 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.82 1pd5 h GLU 207 N 0.21 0.85 -0.45 0.81 5.08 0.10 -1.70 114.58 119.48 1pd5 h GLU 207 Ca 0.51 -0.54 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1pd5 h GLU 207 Cb 0.97 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1pd5 h GLU 207 CO -0.63 1.17 0.12 1.25 -1.00 0.00 0.00 179.01 179.92 1pd5 h LEU 208 N 0.65 0.07 -0.10 1.33 5.85 0.20 0.48 115.31 123.79 1pd5 h LEU 208 Ca 0.01 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1pd5 h LEU 208 Cb 1.16 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1pd5 h LEU 208 CO 0.12 0.07 0.06 -0.61 -0.34 0.00 0.00 178.44 177.74 1pd5 h GLN 209 N 0.26 0.14 -0.15 1.25 5.75 -0.62 -0.76 115.11 120.98 1pd5 h GLN 209 Ca 0.22 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1pd5 h GLN 209 Cb 0.26 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1pd5 h GLN 209 CO -0.26 0.16 0.04 0.37 -2.65 0.00 0.00 178.83 176.49 1pd5 h GLN 210 N 0.08 0.24 -0.47 1.69 4.15 -1.16 0.26 115.11 119.91 1pd5 h GLN 210 Ca 0.04 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.54 1pd5 h GLN 210 Cb 0.06 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1pd5 h GLN 210 CO -0.01 0.37 0.36 -0.92 -1.93 0.00 0.00 178.83 176.70 1pd5 h TYR 211 N 0.06 0.00 0.01 3.99 3.20 0.33 -0.47 116.97 124.09 1pd5 h TYR 211 Ca 0.05 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.67 1pd5 h TYR 211 Cb 0.24 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1pd5 h TYR 211 CO 0.00 0.00 -1.33 0.00 -1.64 0.00 0.00 178.16 175.19 1pd5 h ASP 213 N 0.00 0.00 0.00 0.00 3.32 0.71 -3.27 116.42 117.19 1pd5 h ASP 213 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1pd5 h ASP 213 Cb 1.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1pd5 h ASP 213 CO 0.11 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.01 1pd5 n GLU 214 N -2.83 0.92 -1.59 3.56 1.02 -0.59 -4.91 120.64 116.21 1pd5 n GLU 214 Ca 0.04 -0.24 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 1pd5 n GLU 214 Cb 0.47 -0.69 0.06 0.00 -0.02 0.00 0.00 31.44 31.25 1pd5 n GLU 214 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1pd5 s TRP 215 N -0.20 2.84 -0.08 -0.32 -0.00 -0.86 -4.97 118.94 115.35 1pd5 s TRP 215 Ca 0.00 1.50 0.11 0.00 -0.00 0.00 0.00 56.10 57.72 1pd5 s TRP 215 Cb 0.00 -3.01 0.17 0.00 -0.00 0.00 0.00 33.47 30.64 1pd5 s TRP 215 CO 0.00 -1.47 1.08 1.04 -0.00 0.00 0.00 176.95 177.60 1pd5 n GLN 216 N -2.92 0.87 -0.01 5.86 6.02 -1.26 -4.99 117.38 120.95 1pd5 n GLN 216 Ca 0.09 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 1pd5 n GLN 216 Cb 0.53 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1pd5 n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pd5 n GLY 217 N -0.88 1.83 3.38 1.08 0.00 -1.26 -5.00 105.19 104.35 1pd5 n GLY 217 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1pd5 n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pd5 s GLY 218 N -1.99 1.52 0.00 -0.02 0.00 -1.26 -5.00 107.32 100.57 1pd5 s GLY 218 Ca 0.00 -0.92 0.15 0.00 0.00 0.00 0.00 44.72 43.95 1pd5 s GLY 218 CO 0.00 -0.35 0.97 0.00 0.00 0.00 0.00 173.10 173.72