#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd5 s GLY 7 N 0.00 1.63 0.27 3.38 0.00 -1.26 -4.99 107.32 106.35 1pd5 s GLY 7 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 1pd5 s GLY 7 CO 0.00 -0.00 0.60 -2.52 0.00 0.00 0.00 173.10 171.18 1pd5 s TYR 8 N -3.30 0.10 0.27 1.90 -0.85 -1.26 -2.09 117.35 112.12 1pd5 s TYR 8 Ca 0.57 -0.51 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 1pd5 s TYR 8 Cb -0.11 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 1pd5 s TYR 8 CO 0.51 -1.12 0.26 0.95 -1.52 0.00 0.00 175.55 174.63 1pd5 s THR 9 N -3.93 0.00 0.03 -3.49 -4.23 -0.97 -4.84 115.64 98.21 1pd5 s THR 9 Ca 0.17 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1pd5 s THR 9 Cb -0.03 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1pd5 s THR 9 CO 0.08 0.00 -0.26 -0.89 -0.54 0.00 0.00 174.62 173.01 1pd5 s THR 10 N -3.72 2.13 0.13 3.99 2.01 -1.26 -1.49 115.64 117.44 1pd5 s THR 10 Ca 0.37 -1.32 -0.23 0.00 0.31 0.00 0.00 61.69 60.82 1pd5 s THR 10 Cb 0.04 -1.80 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 1pd5 s THR 10 CO 0.19 0.42 0.71 -0.69 -0.69 0.00 0.00 174.62 174.56 1pd5 s VAL 11 N -0.76 4.49 -1.09 3.82 1.01 -0.29 -4.95 120.40 122.64 1pd5 s VAL 11 Ca 0.11 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.48 1pd5 s VAL 11 Cb -0.10 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.37 1pd5 s VAL 11 CO 0.01 0.53 1.30 -0.62 0.00 0.00 0.00 175.10 176.32 1pd5 s ASP 12 N -1.12 6.88 0.39 3.32 3.68 -1.26 -4.72 116.67 123.83 1pd5 s ASP 12 Ca 0.33 -2.59 0.16 0.00 2.13 0.00 0.00 52.55 52.59 1pd5 s ASP 12 Cb -0.22 -2.40 1.04 0.00 -1.45 0.00 0.00 42.92 39.89 1pd5 s ASP 12 CO 0.24 -0.88 1.79 0.40 0.13 0.00 0.00 175.17 176.85 1pd5 h ILE 13 N 5.16 0.59 0.00 4.11 5.03 -1.95 -0.87 117.51 129.59 1pd5 h ILE 13 Ca 0.25 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 1pd5 h ILE 13 Cb 0.94 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.82 1pd5 h ILE 13 CO 1.18 0.08 0.00 0.77 -0.68 0.00 0.00 178.15 179.51 1pd5 h SER 14 N 0.46 0.00 -0.55 1.72 4.64 -1.99 -2.54 113.55 115.29 1pd5 h SER 14 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1pd5 h SER 14 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1pd5 h SER 14 CO -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.68 1pd5 n GLN 15 N -2.83 2.60 -3.58 4.77 1.13 -0.34 -5.03 117.38 114.11 1pd5 n GLN 15 Ca 0.02 -2.43 -0.36 0.00 -1.94 0.00 0.00 57.00 52.29 1pd5 n GLN 15 Cb 0.33 -1.51 -0.07 0.00 0.11 0.00 0.00 30.24 29.09 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 -1.19 3.44 -1.60 1.08 -0.00 -0.96 -4.99 118.94 114.72 1pd5 s TRP 16 Ca 0.42 0.51 0.15 0.00 -0.00 0.00 0.00 56.10 57.18 1pd5 s TRP 16 Cb 0.23 -2.30 0.79 0.00 -0.00 0.00 0.00 33.47 32.18 1pd5 s TRP 16 CO 0.31 0.23 1.38 0.72 -0.00 0.00 0.00 176.95 179.58 1pd5 n HIS 17 N 3.64 0.00 -0.50 5.86 8.25 -1.26 -0.33 115.22 130.88 1pd5 n HIS 17 Ca -0.13 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.42 1pd5 n HIS 17 Cb 0.52 -0.20 0.28 0.00 1.12 0.00 0.00 29.99 31.71 1pd5 n HIS 17 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pd5 n ARG 18 N -1.20 3.21 -0.27 -0.41 1.74 -1.26 -4.71 116.66 113.75 1pd5 n ARG 18 Ca 0.08 -2.61 0.06 0.00 -0.77 0.00 0.00 57.85 54.61 1pd5 n ARG 18 Cb 0.10 -1.65 0.16 0.00 -1.02 0.00 0.00 32.46 30.05 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 3.26 0.06 -0.25 5.56 3.64 -0.87 0.14 116.57 128.11 1pd5 h LYS 19 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1pd5 h LYS 19 Cb 1.16 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1pd5 h LYS 19 CO 0.12 0.04 -0.43 0.93 -2.27 0.00 0.00 179.45 177.85 1pd5 h GLU 20 N 0.07 0.62 -0.20 1.90 5.08 -1.84 -1.62 114.58 118.59 1pd5 h GLU 20 Ca 0.43 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1pd5 h GLU 20 Cb 0.76 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1pd5 h GLU 20 CO -0.74 0.93 -0.29 0.45 -1.00 0.00 0.00 179.01 178.36 1pd5 h HIS 21 N 0.51 0.67 -0.15 4.33 3.86 -1.61 -1.76 115.15 121.00 1pd5 h HIS 21 Ca 0.04 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1pd5 h HIS 21 Cb 0.95 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1pd5 h HIS 21 CO 0.04 0.94 0.00 0.35 0.86 0.00 0.00 177.93 180.13 1pd5 h PHE 22 N 0.21 0.29 -0.52 2.45 3.04 -0.64 0.14 116.94 121.91 1pd5 h PHE 22 Ca 0.02 -0.05 0.07 0.00 3.98 0.00 0.00 57.97 61.99 1pd5 h PHE 22 Cb 0.87 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1pd5 h PHE 22 CO 0.09 0.48 0.35 0.93 -2.02 0.00 0.00 178.31 178.13 1pd5 h GLU 23 N 0.01 0.39 0.06 1.11 5.08 -1.32 0.91 114.58 120.82 1pd5 h GLU 23 Ca 0.04 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1pd5 h GLU 23 Cb 0.36 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.54 1pd5 h GLU 23 CO 0.01 0.26 -0.64 0.00 -1.00 0.00 0.00 179.01 177.63 1pd5 h ALA 24 N 1.73 -0.00 0.00 3.43 0.00 -0.67 -3.07 119.26 120.68 1pd5 h ALA 24 Ca 0.23 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pd5 h ALA 24 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pd5 h ALA 24 CO -0.06 0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.71 1pd5 n PHE 25 N -4.21 0.00 1.04 0.00 0.99 0.44 -0.95 117.46 114.76 1pd5 n PHE 25 Ca -0.12 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.44 1pd5 n PHE 25 Cb 0.72 -0.41 0.08 0.00 -1.00 0.00 0.00 39.48 38.86 1pd5 n PHE 25 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1pd5 n GLN 26 N -1.41 0.37 0.00 -1.08 -0.06 0.30 -3.82 117.38 111.67 1pd5 n GLN 26 Ca 0.07 -0.28 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 1pd5 n GLN 26 Cb 0.22 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.91 1pd5 n GLN 26 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1pd5 n SER 27 N -1.07 0.00 0.00 1.69 3.41 -1.05 -4.86 113.62 111.74 1pd5 n SER 27 Ca 0.07 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1pd5 n SER 27 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1pd5 n SER 27 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pd5 n VAL 28 N 0.00 0.00 -0.00 -3.33 0.24 -0.78 -4.74 118.33 109.71 1pd5 n VAL 28 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1pd5 n VAL 28 Cb 0.37 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 32.97 1pd5 n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pd5 n ALA 29 N -2.23 3.16 -1.48 2.33 0.00 -0.12 -4.98 120.51 117.19 1pd5 n ALA 29 Ca 0.00 -1.08 -0.50 0.00 0.00 0.00 0.00 53.44 51.86 1pd5 n ALA 29 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 0.47 0.40 -3.74 0.00 7.27 -1.21 -4.66 117.38 115.91 1pd5 n GLN 30 Ca 0.16 0.14 -0.05 0.00 0.07 0.00 0.00 57.00 57.33 1pd5 n GLN 30 Cb 0.73 -1.39 -0.02 0.00 2.41 0.00 0.00 30.24 31.97 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 -3.44 1.78 0.09 0.00 -1.32 -1.26 -1.03 115.64 110.46 1pd5 s THR 32 Ca 0.11 -1.90 -0.08 0.00 -1.21 0.00 0.00 61.69 58.62 1pd5 s THR 32 Cb -0.02 -1.82 -0.01 0.00 -1.51 0.00 0.00 72.50 69.14 1pd5 s THR 32 CO 0.02 -0.32 0.17 -0.72 -2.21 0.00 0.00 174.62 171.56 1pd5 s TYR 33 N -2.04 0.24 0.17 9.09 -0.85 0.53 -4.89 117.35 119.60 1pd5 s TYR 33 Ca 0.15 -0.68 0.11 0.00 -0.52 0.00 0.00 57.07 56.13 1pd5 s TYR 33 Cb -0.06 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 1pd5 s TYR 33 CO 0.06 -0.54 -0.24 -0.80 -1.52 0.00 0.00 175.55 172.51 1pd5 s ASN 34 N -2.88 3.31 -0.03 -0.18 -0.87 -1.26 -0.47 114.94 112.56 1pd5 s ASN 34 Ca 0.07 -0.83 -0.03 0.00 -1.57 0.00 0.00 52.86 50.50 1pd5 s ASN 34 Cb 0.05 -0.23 0.01 0.00 -0.02 0.00 0.00 41.25 41.05 1pd5 s ASN 34 CO -0.10 0.12 0.08 -1.10 -2.57 0.00 0.00 177.10 173.54 1pd5 s GLN 35 N -2.50 0.16 -0.03 -0.60 -0.21 -0.59 -4.95 119.66 110.93 1pd5 s GLN 35 Ca 0.18 0.01 0.07 0.00 0.02 0.00 0.00 55.36 55.64 1pd5 s GLN 35 Cb -0.08 0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.98 1pd5 s GLN 35 CO 0.08 -0.02 -0.24 0.99 -2.12 0.00 0.00 175.29 173.98 1pd5 s THR 36 N -0.21 1.95 0.09 -0.19 2.01 -1.26 -2.41 115.64 115.62 1pd5 s THR 36 Ca -0.03 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 61.00 1pd5 s THR 36 Cb -0.02 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1pd5 s THR 36 CO 0.00 0.55 -0.17 0.54 -0.69 0.00 0.00 174.62 174.85 1pd5 s VAL 37 N -0.41 1.41 -0.62 3.82 0.11 0.32 -4.96 120.40 120.07 1pd5 s VAL 37 Ca 0.04 -1.48 -0.20 0.00 -2.93 0.00 0.00 61.98 57.41 1pd5 s VAL 37 Cb -0.11 -1.36 0.09 0.00 -1.53 0.00 0.00 36.38 33.48 1pd5 s VAL 37 CO 0.01 -0.19 0.79 -1.10 -3.33 0.00 0.00 175.10 171.28 1pd5 s GLN 38 N -1.99 3.07 0.33 1.54 -1.52 -1.26 -0.19 119.66 119.64 1pd5 s GLN 38 Ca 0.04 -1.18 -0.28 0.00 -1.95 0.00 0.00 55.36 51.99 1pd5 s GLN 38 Cb -0.09 -4.26 -0.09 0.00 -0.22 0.00 0.00 33.01 28.34 1pd5 s GLN 38 CO 0.03 -1.63 1.17 -1.17 -0.25 0.00 0.00 175.29 173.44 1pd5 s LEU 39 N 3.11 4.41 -0.54 2.90 0.20 0.03 -4.68 118.68 124.11 1pd5 s LEU 39 Ca 0.15 2.39 -0.23 0.00 0.69 0.00 0.00 54.13 57.14 1pd5 s LEU 39 Cb -0.22 -3.75 0.05 0.00 -0.43 0.00 0.00 46.19 41.84 1pd5 s LEU 39 CO 0.07 -0.39 0.86 -0.62 -0.29 0.00 0.00 176.35 175.97 1pd5 s ASP 40 N -0.86 6.30 -0.10 3.68 3.68 -1.26 0.27 116.67 128.37 1pd5 s ASP 40 Ca 0.49 -0.54 0.17 0.00 2.13 0.00 0.00 52.55 54.80 1pd5 s ASP 40 Cb -0.33 -2.40 0.62 0.00 -1.45 0.00 0.00 42.92 39.36 1pd5 s ASP 40 CO 0.43 -1.15 1.53 2.30 0.13 0.00 0.00 175.17 178.42 1pd5 n ILE 41 N 6.02 1.77 0.13 4.11 -5.35 0.74 -4.72 119.36 122.07 1pd5 n ILE 41 Ca -0.01 -1.28 -0.15 0.00 -0.27 0.00 0.00 62.75 61.04 1pd5 n ILE 41 Cb 0.47 0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.42 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 3.32 0.14 -0.31 7.28 2.02 -1.86 0.41 112.91 123.91 1pd5 h THR 42 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1pd5 h THR 42 Cb 1.33 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1pd5 h THR 42 CO 0.19 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.97 1pd5 h ALA 43 N -0.26 1.22 -0.01 6.16 0.00 -1.87 0.70 119.26 125.19 1pd5 h ALA 43 Ca 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pd5 h ALA 43 Cb 0.70 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pd5 h ALA 43 CO -0.23 0.51 0.01 0.35 0.00 0.00 0.00 179.25 179.89 1pd5 h PHE 44 N 0.49 0.02 -0.23 0.00 3.57 -0.98 -1.26 116.94 118.55 1pd5 h PHE 44 Ca 0.09 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1pd5 h PHE 44 Cb 0.49 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1pd5 h PHE 44 CO 0.02 0.12 0.11 1.25 -2.23 0.00 0.00 178.31 177.58 1pd5 h LEU 45 N -0.09 0.30 -0.85 0.59 6.46 0.15 -1.09 115.31 120.77 1pd5 h LEU 45 Ca 0.00 -0.12 0.11 0.00 -0.12 0.00 0.00 57.88 57.76 1pd5 h LEU 45 Cb 0.11 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 39.89 1pd5 h LEU 45 CO -0.00 0.33 0.49 0.11 -0.62 0.00 0.00 178.44 178.74 1pd5 h LYS 46 N 0.24 0.76 -0.23 1.25 1.57 -0.61 -0.41 116.57 119.15 1pd5 h LYS 46 Ca 0.08 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1pd5 h LYS 46 Cb 0.11 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1pd5 h LYS 46 CO -0.01 0.51 -0.06 1.15 -0.57 0.00 0.00 179.45 180.46 1pd5 h THR 47 N 0.79 0.76 0.25 -0.16 2.02 -0.71 0.79 112.91 116.64 1pd5 h THR 47 Ca 0.42 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.59 1pd5 h THR 47 Cb 0.44 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1pd5 h THR 47 CO -0.27 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.06 1pd5 h VAL 48 N -0.01 0.71 -0.17 3.16 2.07 -0.98 0.89 116.25 121.93 1pd5 h VAL 48 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1pd5 h VAL 48 Cb 0.18 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1pd5 h VAL 48 CO -0.24 0.00 -0.18 0.11 0.02 0.00 0.00 177.57 177.28 1pd5 h LYS 49 N -0.37 -0.19 -0.92 1.57 1.57 -0.98 0.18 116.57 117.43 1pd5 h LYS 49 Ca -0.03 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.02 1pd5 h LYS 49 Cb 0.29 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.50 1pd5 h LYS 49 CO 0.04 -0.13 0.33 -0.22 -0.57 0.00 0.00 179.45 178.90 1pd5 h LYS 50 N -0.20 0.24 -0.02 3.15 1.63 -0.65 -2.39 116.57 118.33 1pd5 h LYS 50 Ca 0.11 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1pd5 h LYS 50 Cb 0.37 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1pd5 h LYS 50 CO -0.29 0.16 -0.24 0.09 -3.45 0.00 0.00 179.45 175.71 1pd5 n ASN 51 N -5.17 1.87 -2.87 4.20 3.02 0.29 -4.92 115.26 111.68 1pd5 n ASN 51 Ca 0.24 -1.44 -0.19 0.00 -0.03 0.00 0.00 54.58 53.16 1pd5 n ASN 51 Cb 0.77 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 1pd5 n ASN 51 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pd5 n LYS 52 N 0.12 -3.18 -2.14 3.52 4.76 -0.30 -5.00 118.16 115.93 1pd5 n LYS 52 Ca 0.13 0.67 -0.40 0.00 -2.87 0.00 0.00 58.31 55.84 1pd5 n LYS 52 Cb 0.44 -5.38 -0.02 0.00 -1.84 0.00 0.00 35.03 28.24 1pd5 n LYS 52 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1pd5 s HIS 53 N -2.89 3.07 0.29 2.13 3.76 0.48 -5.00 115.29 117.12 1pd5 s HIS 53 Ca 0.20 1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 56.26 1pd5 s HIS 53 Cb -0.10 -3.64 -0.11 0.00 1.11 0.00 0.00 32.58 29.84 1pd5 s HIS 53 CO 0.25 -1.76 1.52 0.15 -0.85 0.00 0.00 174.74 174.05 1pd5 s LYS 54 N -1.83 4.18 0.19 1.40 -0.14 -1.26 -4.65 119.74 117.63 1pd5 s LYS 54 Ca 0.50 2.47 -0.12 0.00 -1.36 0.00 0.00 55.97 57.46 1pd5 s LYS 54 Cb -0.39 -3.05 0.12 0.00 -1.68 0.00 0.00 37.83 32.84 1pd5 s LYS 54 CO 0.51 -0.53 1.86 0.35 -0.76 0.00 0.00 175.35 176.78 1pd5 h PHE 55 N 4.64 0.82 0.08 3.18 3.57 -1.95 -3.09 116.94 124.19 1pd5 h PHE 55 Ca -0.47 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1pd5 h PHE 55 Cb 1.22 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1pd5 h PHE 55 CO 0.58 0.51 -0.04 -0.92 -2.23 0.00 0.00 178.31 176.21 1pd5 h TYR 56 N 0.88 -0.10 -0.09 0.41 3.20 -1.99 -0.37 116.97 118.91 1pd5 h TYR 56 Ca 0.24 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1pd5 h TYR 56 Cb -0.09 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1pd5 h TYR 56 CO -0.03 0.45 0.01 -1.00 -1.64 0.00 0.00 178.16 175.94 1pd5 h PRO 57 N -0.85 0.12 -0.35 1.82 0.13 -1.99 0.35 132.00 131.22 1pd5 h PRO 57 Ca -0.01 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1pd5 h PRO 57 Cb 0.59 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1pd5 h PRO 57 CO 0.02 0.13 -0.20 0.00 -0.23 0.00 0.00 178.00 177.71 1pd5 h ALA 58 N 1.89 0.50 -0.05 -0.56 0.00 -1.33 0.30 119.26 120.00 1pd5 h ALA 58 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1pd5 h ALA 58 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pd5 h ALA 58 CO -0.00 0.45 -0.31 0.35 0.00 0.00 0.00 179.25 179.74 1pd5 h PHE 59 N 0.54 0.42 -0.98 0.00 3.57 0.45 -2.23 116.94 118.72 1pd5 h PHE 59 Ca 0.07 -0.19 0.20 0.00 3.53 0.00 0.00 57.97 61.59 1pd5 h PHE 59 Cb 0.76 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 1pd5 h PHE 59 CO 0.06 0.93 0.62 0.82 -2.23 0.00 0.00 178.31 178.51 1pd5 h ILE 60 N -0.21 0.68 -0.73 1.41 2.04 -0.35 -1.84 117.51 118.51 1pd5 h ILE 60 Ca -0.02 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1pd5 h ILE 60 Cb 0.98 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1pd5 h ILE 60 CO 0.06 0.11 0.24 -0.74 0.00 0.00 0.00 178.15 177.82 1pd5 h HIS 61 N 0.61 1.17 0.00 1.37 2.76 -0.35 0.20 115.15 120.90 1pd5 h HIS 61 Ca 0.54 -0.11 -0.17 0.00 -2.20 0.00 0.00 60.37 58.43 1pd5 h HIS 61 Cb 1.05 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 1pd5 h HIS 61 CO -0.00 0.92 -0.80 0.82 -1.30 0.00 0.00 177.93 177.57 1pd5 h ILE 62 N 1.09 1.53 -0.47 6.26 2.04 -0.88 -2.15 117.51 124.92 1pd5 h ILE 62 Ca 0.24 -2.78 -0.06 0.00 1.00 0.00 0.00 64.86 63.27 1pd5 h ILE 62 Cb 0.29 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1pd5 h ILE 62 CO -0.01 0.78 0.07 -0.07 0.00 0.00 0.00 178.15 178.92 1pd5 h LEU 63 N 0.00 0.75 -1.79 1.44 3.38 -0.74 -2.86 115.31 115.49 1pd5 h LEU 63 Ca -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1pd5 h LEU 63 Cb 1.45 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1pd5 h LEU 63 CO 0.10 0.82 -0.13 0.00 0.09 0.00 0.00 178.44 179.33 1pd5 h ALA 64 N 0.95 1.70 -0.04 1.53 0.00 -0.29 -1.88 119.26 121.24 1pd5 h ALA 64 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1pd5 h ALA 64 Cb 0.40 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pd5 h ALA 64 CO 0.01 0.16 -0.91 -0.09 0.00 0.00 0.00 179.25 178.42 1pd5 h ARG 65 N 0.00 0.68 -0.67 0.00 2.43 -1.30 0.10 114.38 115.63 1pd5 h ARG 65 Ca -0.00 -0.69 0.01 0.00 -0.81 0.00 0.00 59.98 58.49 1pd5 h ARG 65 Cb 0.24 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1pd5 h ARG 65 CO 0.02 1.28 0.45 -0.07 -1.51 0.00 0.00 179.97 180.13 1pd5 h LEU 66 N 0.36 0.77 -1.35 3.80 3.38 -1.26 -1.98 115.31 119.02 1pd5 h LEU 66 Ca -0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1pd5 h LEU 66 Cb 1.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1pd5 h LEU 66 CO 0.18 0.56 -0.29 0.24 0.09 0.00 0.00 178.44 179.22 1pd5 h MET 67 N 0.91 0.00 -0.70 1.13 2.86 -0.93 -1.51 114.93 116.68 1pd5 h MET 67 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1pd5 h MET 67 Cb -0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1pd5 h MET 67 CO -0.05 0.29 0.00 0.09 1.06 0.00 0.00 176.91 178.29 1pd5 n ASN 68 N -3.75 3.07 0.00 1.22 3.02 0.32 -3.97 115.26 115.16 1pd5 n ASN 68 Ca -0.01 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 1pd5 n ASN 68 Cb 0.39 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.37 1.79 -3.03 5.41 0.00 -0.58 -5.01 120.51 119.46 1pd5 n ALA 69 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1pd5 n ALA 69 Cb 0.64 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.29 0.05 -0.50 0.00 3.76 -1.16 -5.02 115.29 111.13 1pd5 s HIS 70 Ca 0.00 0.01 0.26 0.00 -0.15 0.00 0.00 55.06 55.18 1pd5 s HIS 70 Cb 0.00 -0.07 0.79 0.00 1.11 0.00 0.00 32.58 34.40 1pd5 s HIS 70 CO 0.00 -0.02 1.75 -1.00 -0.85 0.00 0.00 174.74 174.62 1pd5 h PRO 71 N 6.35 0.00 0.00 8.40 0.13 -1.92 -3.04 132.00 141.92 1pd5 h PRO 71 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1pd5 h PRO 71 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1pd5 h PRO 71 CO 0.50 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.32 1pd5 h GLU 72 N 0.00 0.00 -0.57 0.86 9.09 -1.92 0.17 114.58 122.21 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 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 1pd5 h GLU 72 CO 0.00 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.25 1pd5 n PHE 73 N -2.61 0.77 -1.79 2.06 3.01 -1.15 -4.20 117.46 113.56 1pd5 n PHE 73 Ca -0.00 -0.38 0.05 0.00 1.01 0.00 0.00 57.45 58.13 1pd5 n PHE 73 Cb 0.15 -0.01 0.17 0.00 -0.01 0.00 0.00 39.48 39.79 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 1.14 1.31 -2.11 -1.08 1.74 0.05 -4.58 116.66 113.13 1pd5 n ARG 74 Ca 0.19 -3.07 -0.28 0.00 -0.77 0.00 0.00 57.85 53.92 1pd5 n ARG 74 Cb 0.48 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.61 2.63 0.04 5.56 -1.94 -1.25 -1.47 119.30 120.27 1pd5 s MET 75 Ca 0.37 0.13 -0.27 0.00 -1.71 0.00 0.00 55.69 54.22 1pd5 s MET 75 Cb 0.37 -2.12 0.09 0.00 2.01 0.00 0.00 34.83 35.19 1pd5 s MET 75 CO -0.09 -1.04 0.80 0.00 -0.01 0.00 0.00 175.02 174.69 1pd5 s ALA 76 N -3.25 -1.76 -0.29 3.03 0.00 -0.86 -4.62 121.76 114.01 1pd5 s ALA 76 Ca 0.58 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 1pd5 s ALA 76 Cb -0.11 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1pd5 s ALA 76 CO 0.48 -0.71 0.52 -1.64 0.00 0.00 0.00 175.76 174.41 1pd5 s MET 77 N -3.29 3.93 -0.14 0.00 -1.94 -1.26 -0.94 119.30 115.65 1pd5 s MET 77 Ca 0.04 0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.21 1pd5 s MET 77 Cb -0.01 -3.70 0.02 0.00 2.01 0.00 0.00 34.83 33.15 1pd5 s MET 77 CO -0.10 -0.45 -0.16 0.21 -0.01 0.00 0.00 175.02 174.50 1pd5 s LYS 78 N 2.36 2.47 -1.16 2.03 2.20 -0.11 -4.71 119.74 122.82 1pd5 s LYS 78 Ca 0.21 -0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 54.98 1pd5 s LYS 78 Cb -0.15 -2.17 0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1pd5 s LYS 78 CO 0.11 -0.17 0.39 -0.25 -0.36 0.00 0.00 175.35 175.06 1pd5 n ASP 79 N 4.55 -2.04 0.00 1.43 10.43 -1.26 -0.68 116.55 128.98 1pd5 n ASP 79 Ca -0.18 -1.14 0.00 0.00 2.57 0.00 0.00 54.79 56.04 1pd5 n ASP 79 Cb 0.50 -1.38 0.00 0.00 1.84 0.00 0.00 41.12 42.08 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 -2.11 1.13 3.91 0.44 0.00 -1.26 -5.04 105.19 102.26 1pd5 n GLY 80 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1pd5 n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pd5 s GLU 81 N -0.15 3.45 0.00 1.61 1.03 0.15 -5.08 118.70 119.70 1pd5 s GLU 81 Ca 0.00 -0.39 -0.30 0.00 0.03 0.00 0.00 54.97 54.31 1pd5 s GLU 81 Cb 0.00 -3.05 -0.05 0.00 -0.80 0.00 0.00 34.13 30.23 1pd5 s GLU 81 CO 0.00 0.62 1.33 -1.17 -1.33 0.00 0.00 175.26 174.72 1pd5 s LEU 82 N -2.34 4.32 0.20 1.83 2.96 -1.26 -0.93 118.68 123.46 1pd5 s LEU 82 Ca 0.33 2.05 0.04 0.00 -0.22 0.00 0.00 54.13 56.33 1pd5 s LEU 82 Cb -0.13 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1pd5 s LEU 82 CO 0.25 -0.66 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.89 1pd5 s VAL 83 N 2.12 1.16 -0.18 1.68 1.01 -0.11 -1.14 120.40 124.95 1pd5 s VAL 83 Ca 0.61 -2.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.53 1pd5 s VAL 83 Cb -0.30 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1pd5 s VAL 83 CO 0.26 -0.48 -0.07 -0.63 0.00 0.00 0.00 175.10 174.18 1pd5 s ILE 84 N -3.33 1.29 0.56 2.22 1.01 -0.55 -2.03 121.20 120.37 1pd5 s ILE 84 Ca 0.24 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 1pd5 s ILE 84 Cb 0.04 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1pd5 s ILE 84 CO 0.06 0.15 1.33 0.26 0.00 0.00 0.00 174.94 176.74 1pd5 s TRP 85 N 1.55 2.28 0.37 3.97 0.52 -0.54 -2.28 118.94 124.81 1pd5 s TRP 85 Ca 0.00 1.41 0.05 0.00 0.02 0.00 0.00 56.10 57.58 1pd5 s TRP 85 Cb -0.16 -3.74 0.70 0.00 -1.15 0.00 0.00 33.47 29.12 1pd5 s TRP 85 CO -0.08 -2.80 1.98 -0.44 0.02 0.00 0.00 176.95 175.63 1pd5 h ASP 86 N 1.29 0.55 -5.10 2.95 3.45 -1.75 -3.45 116.42 114.37 1pd5 h ASP 86 Ca -0.51 -0.05 -0.13 0.00 0.43 0.00 0.00 57.03 56.78 1pd5 h ASP 86 Cb 1.30 -0.14 -0.17 0.00 -0.56 0.00 0.00 39.33 39.76 1pd5 h ASP 86 CO 0.56 0.48 -0.54 -0.44 -1.57 0.00 0.00 179.24 177.73 1pd5 s SER 87 N -6.65 0.20 0.13 6.45 0.01 -1.26 -5.05 113.70 107.53 1pd5 s SER 87 Ca -0.08 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 56.68 1pd5 s SER 87 Cb 0.17 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 1pd5 s SER 87 CO 0.75 -0.52 -0.19 0.68 0.41 0.00 0.00 173.24 174.38 1pd5 s VAL 88 N -2.72 1.71 -0.08 3.43 -7.23 -1.26 -4.90 120.40 109.36 1pd5 s VAL 88 Ca -0.04 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1pd5 s VAL 88 Cb -0.01 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 1pd5 s VAL 88 CO -0.05 -0.22 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.34 1pd5 s HIS 89 N -1.67 2.63 0.31 2.82 3.76 -0.41 -4.71 115.29 118.01 1pd5 s HIS 89 Ca 0.11 -0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 1pd5 s HIS 89 Cb -0.07 -1.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.84 1pd5 s HIS 89 CO 0.05 -0.11 1.17 -1.25 -0.85 0.00 0.00 174.74 173.75 1pd5 s PRO 90 N -0.15 4.47 -0.18 8.40 0.04 -1.25 -1.61 135.00 144.72 1pd5 s PRO 90 Ca -0.02 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1pd5 s PRO 90 Cb -0.14 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.38 1pd5 s PRO 90 CO 0.04 0.02 -0.05 0.00 0.04 0.00 0.00 177.00 177.04 1pd5 s TYR 92 N 1.61 1.59 0.31 0.00 -0.85 0.37 -1.99 117.35 118.40 1pd5 s TYR 92 Ca -0.00 -0.58 -0.08 0.00 -0.52 0.00 0.00 57.07 55.90 1pd5 s TYR 92 Cb -0.16 -0.78 -0.06 0.00 0.38 0.00 0.00 41.96 41.35 1pd5 s TYR 92 CO -0.08 0.26 0.62 0.95 -1.52 0.00 0.00 175.55 175.78 1pd5 s THR 93 N -2.67 4.93 -0.04 -3.49 -4.23 -1.09 -1.42 115.64 107.64 1pd5 s THR 93 Ca 0.17 0.31 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 1pd5 s THR 93 Cb -0.02 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1pd5 s THR 93 CO 0.05 -0.32 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.00 1pd5 s VAL 94 N -2.11 1.03 -0.12 2.29 1.01 0.31 -4.76 120.40 118.06 1pd5 s VAL 94 Ca 0.47 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1pd5 s VAL 94 Cb -0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1pd5 s VAL 94 CO 0.28 0.32 0.34 0.12 0.00 0.00 0.00 175.10 176.15 1pd5 s PHE 95 N 0.27 3.53 -0.45 5.22 5.36 -1.26 -0.64 117.98 130.01 1pd5 s PHE 95 Ca -0.06 0.72 -0.16 0.00 -0.96 0.00 0.00 56.93 56.47 1pd5 s PHE 95 Cb -0.11 -2.34 0.05 0.00 -0.34 0.00 0.00 43.02 40.27 1pd5 s PHE 95 CO 0.02 0.33 0.40 -1.01 -1.46 0.00 0.00 175.22 173.50 1pd5 s HIS 96 N 0.12 3.21 0.21 10.12 3.76 0.14 -4.97 115.29 127.87 1pd5 s HIS 96 Ca 0.19 -0.71 -0.10 0.00 -0.15 0.00 0.00 55.06 54.30 1pd5 s HIS 96 Cb -0.14 -3.00 0.27 0.00 1.11 0.00 0.00 32.58 30.82 1pd5 s HIS 96 CO 0.07 -0.75 1.72 0.93 -0.85 0.00 0.00 174.74 175.86 1pd5 h GLU 97 N 8.74 0.31 -0.68 1.40 4.39 -1.97 0.20 114.58 126.97 1pd5 h GLU 97 Ca -0.28 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.46 1pd5 h GLU 97 Cb 1.11 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 1pd5 h GLU 97 CO 0.83 0.21 0.39 1.96 -1.16 0.00 0.00 179.01 181.24 1pd5 h GLN 98 N 0.32 0.71 -0.01 2.33 4.20 -1.95 -2.80 115.11 117.91 1pd5 h GLN 98 Ca 0.30 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1pd5 h GLN 98 Cb 0.41 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1pd5 h GLN 98 CO -0.35 0.47 -0.31 0.25 -0.67 0.00 0.00 178.83 178.22 1pd5 n THR 99 N -4.75 0.00 -3.58 -0.54 -2.24 -1.18 -4.98 114.28 97.00 1pd5 n THR 99 Ca 0.08 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 1pd5 n THR 99 Cb 0.16 1.18 0.06 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.12 -6.03 -4.35 -0.78 1.02 0.04 -4.97 120.64 105.45 1pd5 n GLU 100 Ca 0.06 0.74 -0.20 0.00 -0.02 0.00 0.00 57.16 57.75 1pd5 n GLU 100 Cb 0.32 -5.58 -0.09 0.00 -0.02 0.00 0.00 31.44 26.08 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 -3.47 0.28 0.12 2.62 -4.23 -1.13 -4.99 115.64 104.84 1pd5 s THR 101 Ca 0.10 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1pd5 s THR 101 Cb -0.05 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1pd5 s THR 101 CO 0.77 0.00 -0.03 0.72 -0.54 0.00 0.00 174.62 175.54 1pd5 s PHE 102 N -3.51 0.95 0.13 3.99 -0.12 -1.26 0.27 117.98 118.43 1pd5 s PHE 102 Ca 0.35 -1.00 0.07 0.00 -0.05 0.00 0.00 56.93 56.29 1pd5 s PHE 102 Cb 0.04 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.84 1pd5 s PHE 102 CO 0.19 -0.24 -0.15 -1.12 -0.05 0.00 0.00 175.22 173.85 1pd5 s SER 103 N -3.07 2.20 -0.25 1.98 0.01 0.19 -4.65 113.70 110.11 1pd5 s SER 103 Ca 0.17 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 1pd5 s SER 103 Cb 0.06 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1pd5 s SER 103 CO -0.02 -0.10 0.04 -0.44 0.41 0.00 0.00 173.24 173.13 1pd5 s SER 104 N -2.47 4.90 0.13 2.44 0.01 -0.56 0.12 113.70 118.27 1pd5 s SER 104 Ca 0.10 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 57.11 1pd5 s SER 104 Cb -0.05 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1pd5 s SER 104 CO 0.04 -0.06 -0.26 -0.76 0.41 0.00 0.00 173.24 172.60 1pd5 s LEU 105 N 1.55 2.35 0.31 2.44 1.43 -0.51 -4.22 118.68 122.03 1pd5 s LEU 105 Ca 0.05 -0.73 0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1pd5 s LEU 105 Cb -0.15 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1pd5 s LEU 105 CO 0.01 0.18 -0.06 -1.66 0.23 0.00 0.00 176.35 175.06 1pd5 s TRP 106 N -1.06 2.49 -0.03 0.29 1.48 -1.26 -0.48 118.94 120.37 1pd5 s TRP 106 Ca 0.14 -0.38 -0.01 0.00 -1.06 0.00 0.00 56.10 54.80 1pd5 s TRP 106 Cb -0.10 -1.29 0.03 0.00 -1.16 0.00 0.00 33.47 30.95 1pd5 s TRP 106 CO 0.06 0.58 0.06 -1.12 -4.06 0.00 0.00 176.95 172.47 1pd5 s SER 107 N -3.64 0.25 -0.17 -2.66 0.01 -1.04 -4.99 113.70 101.45 1pd5 s SER 107 Ca 0.33 0.10 -0.40 0.00 1.31 0.00 0.00 55.95 57.28 1pd5 s SER 107 Cb -0.02 -0.03 -0.17 0.00 0.21 0.00 0.00 66.02 66.01 1pd5 s SER 107 CO 0.18 -0.16 1.53 1.21 0.41 0.00 0.00 173.24 176.41 1pd5 n GLU 108 N 4.43 0.84 -2.76 12.44 2.13 -1.26 -3.85 120.64 132.62 1pd5 n GLU 108 Ca -0.23 0.31 -0.40 0.00 0.66 0.00 0.00 57.16 57.50 1pd5 n GLU 108 Cb 0.50 -1.93 -0.05 0.00 0.27 0.00 0.00 31.44 30.23 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 2.17 3.91 -0.01 4.31 5.04 -1.26 -4.83 117.35 126.67 1pd5 s TYR 109 Ca 0.95 1.85 -0.02 0.00 -2.44 0.00 0.00 57.07 57.40 1pd5 s TYR 109 Cb -1.13 -3.00 0.00 0.00 0.35 0.00 0.00 41.96 38.19 1pd5 s TYR 109 CO 0.62 0.36 0.05 -1.01 -1.34 0.00 0.00 175.55 174.23 1pd5 s HIS 110 N -0.68 0.00 0.26 4.97 3.76 -1.26 -5.02 115.29 117.32 1pd5 s HIS 110 Ca 0.43 0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 55.29 1pd5 s HIS 110 Cb -0.25 -0.02 0.47 0.00 1.11 0.00 0.00 32.58 33.89 1pd5 s HIS 110 CO 0.31 -0.09 1.62 -0.44 -0.85 0.00 0.00 174.74 175.29 1pd5 h ASP 111 N 5.62 -0.44 -2.64 1.40 5.19 -1.99 -3.41 116.42 120.15 1pd5 h ASP 111 Ca -0.26 0.22 -0.55 0.00 -0.62 0.00 0.00 57.03 55.81 1pd5 h ASP 111 Cb 1.21 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 41.10 1pd5 h ASP 111 CO 0.45 -0.22 1.08 -0.62 -3.12 0.00 0.00 179.24 176.81 1pd5 s ASP 112 N -5.17 6.65 0.41 6.45 -1.08 -1.26 -4.87 116.67 117.79 1pd5 s ASP 112 Ca -0.14 2.13 0.10 0.00 -0.52 0.00 0.00 52.55 54.12 1pd5 s ASP 112 Cb 0.24 -2.53 0.87 0.00 -1.46 0.00 0.00 42.92 40.04 1pd5 s ASP 112 CO 0.76 -0.96 1.98 0.15 0.52 0.00 0.00 175.17 177.62 1pd5 h PHE 113 N 9.62 0.27 -0.29 -5.34 3.57 -1.79 -1.51 116.94 121.48 1pd5 h PHE 113 Ca -0.38 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 60.96 1pd5 h PHE 113 Cb 1.17 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1pd5 h PHE 113 CO 0.88 0.30 -0.41 0.00 -2.23 0.00 0.00 178.31 176.86 1pd5 h ARG 114 N 0.27 0.79 -0.34 1.11 3.08 -1.90 1.08 114.38 118.47 1pd5 h ARG 114 Ca 0.06 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1pd5 h ARG 114 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1pd5 h ARG 114 CO 0.01 1.09 0.08 0.37 -1.07 0.00 0.00 179.97 180.45 1pd5 h GLN 115 N 0.56 0.55 -0.57 0.04 5.75 -1.80 -2.57 115.11 117.08 1pd5 h GLN 115 Ca 0.03 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1pd5 h GLN 115 Cb 1.00 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.45 1pd5 h GLN 115 CO 0.10 0.61 0.33 0.35 -2.65 0.00 0.00 178.83 177.56 1pd5 h PHE 116 N 0.40 0.77 -0.87 3.99 3.57 -0.67 -2.61 116.94 121.52 1pd5 h PHE 116 Ca 0.11 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.71 1pd5 h PHE 116 Cb 0.31 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 1pd5 h PHE 116 CO 0.02 0.54 0.50 1.25 -2.23 0.00 0.00 178.31 178.39 1pd5 h LEU 117 N 0.77 0.70 -0.59 0.59 7.12 0.13 0.93 115.31 124.96 1pd5 h LEU 117 Ca 0.20 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.22 1pd5 h LEU 117 Cb 0.02 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.05 1pd5 h LEU 117 CO -0.03 0.38 0.18 -0.74 -0.13 0.00 0.00 178.44 178.09 1pd5 h HIS 118 N 0.80 0.95 -0.59 1.25 2.76 -1.22 -1.73 115.15 117.38 1pd5 h HIS 118 Ca 0.43 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.56 1pd5 h HIS 118 Cb 0.45 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 1pd5 h HIS 118 CO -0.05 0.79 0.30 0.82 -1.30 0.00 0.00 177.93 178.49 1pd5 h ILE 119 N 0.83 0.93 -0.29 6.26 2.04 -1.00 -1.90 117.51 124.38 1pd5 h ILE 119 Ca 0.19 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1pd5 h ILE 119 Cb 0.29 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1pd5 h ILE 119 CO -0.01 0.10 0.11 0.22 0.00 0.00 0.00 178.15 178.58 1pd5 h TYR 120 N 0.56 0.45 0.00 1.37 3.20 -0.54 0.24 116.97 122.25 1pd5 h TYR 120 Ca 0.27 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1pd5 h TYR 120 Cb 0.20 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1pd5 h TYR 120 CO -0.10 0.45 -0.35 0.66 -1.64 0.00 0.00 178.16 177.18 1pd5 h SER 121 N 0.32 0.00 0.04 -2.11 4.64 -1.28 -1.28 113.55 113.88 1pd5 h SER 121 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1pd5 h SER 121 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1pd5 h SER 121 CO -0.01 0.15 -0.02 -0.61 -0.87 0.00 0.00 176.83 175.48 1pd5 h GLN 122 N 0.00 -0.05 -0.79 4.77 5.75 -0.76 -1.28 115.11 122.75 1pd5 h GLN 122 Ca -0.01 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1pd5 h GLN 122 Cb 1.13 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.63 1pd5 h GLN 122 CO 0.02 0.41 0.49 -0.44 -2.65 0.00 0.00 178.83 176.65 1pd5 h ASP 123 N -0.52 0.77 -0.33 -0.69 3.32 -0.28 -1.17 116.42 117.52 1pd5 h ASP 123 Ca -0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1pd5 h ASP 123 Cb 0.47 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1pd5 h ASP 123 CO 0.01 0.51 -0.11 0.58 -1.72 0.00 0.00 179.24 178.51 1pd5 h VAL 124 N 0.91 1.26 -0.65 -1.35 2.07 -1.25 0.57 116.25 117.80 1pd5 h VAL 124 Ca 0.33 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1pd5 h VAL 124 Cb 0.11 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1pd5 h VAL 124 CO -0.15 0.39 0.13 0.00 0.02 0.00 0.00 177.57 177.96 1pd5 h ALA 125 N 1.19 0.99 0.19 1.67 0.00 -0.52 1.08 119.26 123.86 1pd5 h ALA 125 Ca 0.12 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 1pd5 h ALA 125 Cb 0.58 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1pd5 h ALA 125 CO 0.04 0.64 -1.44 0.00 0.00 0.00 0.00 179.25 178.49 1pd5 n TYR 127 N -3.79 0.00 0.28 0.00 4.01 0.20 -4.64 117.16 113.21 1pd5 n TYR 127 Ca -0.21 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.70 1pd5 n TYR 127 Cb 1.00 -0.10 0.87 0.00 -0.31 0.00 0.00 39.34 40.81 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 3.91 0.00 -1.60 2.72 0.00 0.11 0.20 103.07 108.41 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 -2.72 2.99 -3.32 4.80 -0.58 -1.26 -4.90 120.64 115.65 1pd5 n GLU 129 Ca -0.02 -2.43 -0.39 0.00 -0.42 0.00 0.00 57.16 53.90 1pd5 n GLU 129 Cb 0.18 -1.55 -0.07 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.32 6.47 -0.09 1.62 3.84 0.69 -4.94 114.94 121.21 1pd5 s ASN 130 Ca 0.33 0.56 0.12 0.00 0.21 0.00 0.00 52.86 54.08 1pd5 s ASN 130 Cb 0.22 -2.26 0.49 0.00 -0.55 0.00 0.00 41.25 39.15 1pd5 s ASN 130 CO 0.14 -0.14 1.33 0.18 -2.79 0.00 0.00 177.10 175.83 1pd5 n LEU 131 N 4.74 3.44 -4.76 3.21 4.77 -1.26 -4.77 117.00 122.36 1pd5 n LEU 131 Ca -0.07 -1.74 -0.36 0.00 -0.03 0.00 0.00 56.01 53.82 1pd5 n LEU 131 Cb 0.51 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1pd5 n LEU 131 CO 0.40 0.56 0.82 0.00 -1.33 0.00 0.00 177.39 177.84 1pd5 s ALA 132 N -1.80 2.66 0.23 -1.18 0.00 -1.26 -4.92 121.76 115.49 1pd5 s ALA 132 Ca 0.34 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1pd5 s ALA 132 Cb 0.23 -3.41 0.34 0.00 0.00 0.00 0.00 23.12 20.28 1pd5 s ALA 132 CO 0.16 -0.94 1.81 -0.92 0.00 0.00 0.00 175.76 175.87 1pd5 h TYR 133 N 1.14 0.82 -3.07 0.00 3.20 -1.88 -3.30 116.97 113.87 1pd5 h TYR 133 Ca -0.50 0.03 -0.62 0.00 3.14 0.00 0.00 58.73 60.78 1pd5 h TYR 133 Cb 1.28 -0.25 -0.41 0.00 1.54 0.00 0.00 36.73 38.89 1pd5 h TYR 133 CO 0.49 0.36 -0.67 -0.06 -1.64 0.00 0.00 178.16 176.65 1pd5 s PHE 134 N -6.05 2.84 0.32 -3.82 0.40 -1.26 -1.49 117.98 108.91 1pd5 s PHE 134 Ca -0.13 -2.98 0.09 0.00 -0.60 0.00 0.00 56.93 53.31 1pd5 s PHE 134 Cb 0.18 -2.37 0.86 0.00 0.51 0.00 0.00 43.02 42.21 1pd5 s PHE 134 CO 0.78 -0.68 1.74 -1.35 0.70 0.00 0.00 175.22 176.40 1pd5 h PRO 135 N 6.04 0.60 -0.16 0.24 0.11 -1.73 -0.76 132.00 136.33 1pd5 h PRO 135 Ca 0.06 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 1pd5 h PRO 135 Cb 0.85 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 1pd5 h PRO 135 CO 0.62 0.39 -0.24 0.36 -0.21 0.00 0.00 178.00 178.93 1pd5 n LYS 136 N -4.87 1.75 0.00 1.05 2.85 -1.26 -5.03 118.16 112.65 1pd5 n LYS 136 Ca 0.26 -3.13 0.00 0.00 -1.05 0.00 0.00 58.31 54.39 1pd5 n LYS 136 Cb 0.72 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1pd5 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pd5 n GLY 137 N -1.12 -1.49 3.81 2.58 0.00 -0.29 -4.94 105.19 103.74 1pd5 n GLY 137 Ca 0.24 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.95 2.82 0.42 1.61 -0.12 -1.26 -4.83 117.98 114.66 1pd5 s PHE 138 Ca 0.00 -0.35 0.06 0.00 -0.05 0.00 0.00 56.93 56.60 1pd5 s PHE 138 Cb 0.00 -1.77 -0.07 0.00 -0.63 0.00 0.00 43.02 40.55 1pd5 s PHE 138 CO 0.00 0.22 0.02 0.96 -0.05 0.00 0.00 175.22 176.36 1pd5 s ILE 139 N -2.36 1.92 -0.54 -4.49 -4.36 -1.26 -5.04 121.20 105.07 1pd5 s ILE 139 Ca 0.40 -1.99 0.26 0.00 -0.26 0.00 0.00 60.65 59.06 1pd5 s ILE 139 Cb -0.04 -2.91 0.31 0.00 1.25 0.00 0.00 42.46 41.06 1pd5 s ILE 139 CO 0.25 0.00 1.74 -0.33 0.24 0.00 0.00 174.94 176.84 1pd5 h GLU 140 N 1.71 0.00 -2.25 0.37 5.08 -2.01 -3.36 114.58 114.12 1pd5 h GLU 140 Ca -0.44 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.33 1pd5 h GLU 140 Cb 1.25 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.08 1pd5 h GLU 140 CO 0.80 0.00 -0.66 0.27 -1.00 0.00 0.00 179.01 178.42 1pd5 n ASN 141 N -2.56 4.07 -4.57 1.42 6.94 -1.26 -5.05 115.26 114.25 1pd5 n ASN 141 Ca 0.04 -3.58 -0.24 0.00 -0.02 0.00 0.00 54.58 50.78 1pd5 n ASN 141 Cb 0.41 -0.59 -0.09 0.00 -2.36 0.00 0.00 39.78 37.15 1pd5 n ASN 141 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pd5 s MET 142 N -3.13 2.04 0.23 -3.83 0.23 -1.26 -1.28 119.30 112.31 1pd5 s MET 142 Ca 0.46 -1.47 0.11 0.00 -1.03 0.00 0.00 55.69 53.76 1pd5 s MET 142 Cb 0.25 -2.05 -0.05 0.00 -1.53 0.00 0.00 34.83 31.45 1pd5 s MET 142 CO -0.10 0.38 -0.18 -0.59 -2.03 0.00 0.00 175.02 172.50 1pd5 s PHE 143 N -2.17 2.39 -0.02 3.16 -0.12 -0.63 -4.75 117.98 115.83 1pd5 s PHE 143 Ca 0.29 -0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 56.84 1pd5 s PHE 143 Cb -0.07 -1.11 -0.04 0.00 -0.63 0.00 0.00 43.02 41.17 1pd5 s PHE 143 CO 0.17 0.60 0.08 -0.06 -0.05 0.00 0.00 175.22 175.96 1pd5 s PHE 144 N -2.06 3.31 -0.12 3.49 0.40 -0.28 -0.87 117.98 121.85 1pd5 s PHE 144 Ca 0.26 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1pd5 s PHE 144 Cb -0.07 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.72 1pd5 s PHE 144 CO 0.14 0.56 -0.09 0.08 0.70 0.00 0.00 175.22 176.61 1pd5 s VAL 145 N -1.15 1.12 0.00 -0.44 1.01 -0.84 0.32 120.40 120.42 1pd5 s VAL 145 Ca 0.21 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1pd5 s VAL 145 Cb -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1pd5 s VAL 145 CO 0.12 0.38 -0.16 -0.44 0.00 0.00 0.00 175.10 175.00 1pd5 s SER 146 N 1.67 3.89 -0.05 3.32 0.01 -0.37 -2.66 113.70 119.51 1pd5 s SER 146 Ca 0.05 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 1pd5 s SER 146 Cb -0.13 -0.71 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 1pd5 s SER 146 CO -0.09 0.29 0.43 0.00 0.41 0.00 0.00 173.24 174.29 1pd5 s ALA 147 N -0.84 3.61 -0.53 1.44 0.00 -1.26 -0.32 121.76 123.85 1pd5 s ALA 147 Ca 0.13 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1pd5 s ALA 147 Cb -0.11 -2.49 0.22 0.00 0.00 0.00 0.00 23.12 20.74 1pd5 s ALA 147 CO 0.03 0.29 0.54 -1.71 0.00 0.00 0.00 175.76 174.91 1pd5 n ASN 148 N 2.57 1.62 0.00 0.00 4.05 -0.74 -4.91 115.26 117.85 1pd5 n ASN 148 Ca -0.11 -2.94 0.07 0.00 0.45 0.00 0.00 54.58 52.04 1pd5 n ASN 148 Cb 0.52 -0.65 0.35 0.00 1.23 0.00 0.00 39.78 41.23 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 1.68 0.26 0.05 1.20 -0.04 -1.26 -3.43 135.00 133.45 1pd5 n PRO 149 Ca 0.25 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.80 1pd5 n PRO 149 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.77 0.54 6.55 -1.94 -3.40 115.95 113.93 1pd5 h TRP 150 Ca 0.00 0.00 -0.53 0.00 0.95 0.00 0.00 58.89 59.31 1pd5 h TRP 150 Cb 0.09 0.00 -0.32 0.00 -0.86 0.00 0.00 29.16 28.07 1pd5 h TRP 150 CO 0.00 0.73 -0.83 0.08 -1.05 0.00 0.00 178.44 177.37 1pd5 s VAL 151 N -2.82 1.28 -1.19 1.49 1.01 -1.24 -4.94 120.40 113.99 1pd5 s VAL 151 Ca -0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1pd5 s VAL 151 Cb 0.08 -1.12 0.23 0.00 0.00 0.00 0.00 36.38 35.57 1pd5 s VAL 151 CO 0.80 0.38 1.70 -1.20 0.00 0.00 0.00 175.10 176.78 1pd5 n SER 152 N 3.31 5.67 -4.79 3.32 7.64 -1.26 -1.46 113.62 126.05 1pd5 n SER 152 Ca -0.19 -3.24 -0.35 0.00 1.01 0.00 0.00 58.87 56.10 1pd5 n SER 152 Cb 0.53 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.28 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 -0.98 3.39 -1.59 1.43 -0.12 -1.26 -4.92 117.98 113.94 1pd5 s PHE 153 Ca 0.36 1.67 0.25 0.00 -0.05 0.00 0.00 56.93 59.16 1pd5 s PHE 153 Cb 0.07 -2.97 0.44 0.00 -0.63 0.00 0.00 43.02 39.93 1pd5 s PHE 153 CO 0.05 -0.22 1.36 -2.37 -0.05 0.00 0.00 175.22 173.99 1pd5 n THR 154 N -0.13 0.00 -3.66 -4.49 5.66 -1.26 -4.64 114.28 105.76 1pd5 n THR 154 Ca 0.05 -0.12 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 1pd5 n THR 154 Cb 0.51 0.62 -0.08 0.00 -1.55 0.00 0.00 70.33 69.83 1pd5 n THR 154 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1pd5 s SER 155 N -2.65 -0.76 -0.04 1.09 0.15 -1.26 -4.86 113.70 105.36 1pd5 s SER 155 Ca 0.19 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1pd5 s SER 155 Cb 0.18 1.15 0.03 0.00 -1.71 0.00 0.00 66.02 65.67 1pd5 s SER 155 CO 0.60 -0.22 -0.00 0.12 1.20 0.00 0.00 173.24 174.94 1pd5 s PHE 156 N 1.44 0.44 -0.06 3.44 5.36 -1.26 -5.12 117.98 122.22 1pd5 s PHE 156 Ca -0.09 -0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 55.79 1pd5 s PHE 156 Cb -0.06 -0.53 0.03 0.00 -0.34 0.00 0.00 43.02 42.11 1pd5 s PHE 156 CO -0.16 -0.18 0.14 0.34 -1.46 0.00 0.00 175.22 173.90 1pd5 s ASP 157 N 1.25 -0.12 -0.19 6.13 -1.08 -1.26 -4.74 116.67 116.66 1pd5 s ASP 157 Ca -0.06 0.29 -0.07 0.00 -0.52 0.00 0.00 52.55 52.18 1pd5 s ASP 157 Cb -0.13 0.22 -0.04 0.00 -1.46 0.00 0.00 42.92 41.51 1pd5 s ASP 157 CO -0.02 -0.10 0.05 -0.22 0.52 0.00 0.00 175.17 175.39 1pd5 s LEU 158 N 0.69 3.67 -0.45 -1.34 2.96 -1.26 -5.06 118.68 117.90 1pd5 s LEU 158 Ca -0.05 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1pd5 s LEU 158 Cb -0.07 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.81 1pd5 s LEU 158 CO -0.03 0.14 0.20 0.21 -1.32 0.00 0.00 176.35 175.55 1pd5 s ASN 159 N 0.56 4.81 -0.06 3.68 3.04 -1.26 -4.98 114.94 120.74 1pd5 s ASN 159 Ca 0.02 -2.48 -0.26 0.00 0.04 0.00 0.00 52.86 50.18 1pd5 s ASN 159 Cb -0.13 -1.71 -0.03 0.00 -1.54 0.00 0.00 41.25 37.84 1pd5 s ASN 159 CO 0.01 -0.37 0.84 0.54 -3.04 0.00 0.00 177.10 175.08 1pd5 s VAL 160 N 0.47 4.94 0.27 -5.21 0.11 -1.26 -4.93 120.40 114.79 1pd5 s VAL 160 Ca 0.13 1.73 -0.01 0.00 -2.93 0.00 0.00 61.98 60.90 1pd5 s VAL 160 Cb -0.22 -4.17 0.27 0.00 -1.53 0.00 0.00 36.38 30.72 1pd5 s VAL 160 CO -0.04 0.17 1.85 0.00 -3.33 0.00 0.00 175.10 173.75 1pd5 h ALA 161 N 6.87 1.41 -3.64 1.54 0.00 -2.07 -3.40 119.26 119.96 1pd5 h ALA 161 Ca -0.39 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.90 1pd5 h ALA 161 Cb 1.19 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.36 1pd5 h ALA 161 CO 0.77 0.31 -0.79 1.21 0.00 0.00 0.00 179.25 180.75 1pd5 s ASN 162 N -5.78 3.87 0.00 0.00 3.84 -1.26 -4.99 114.94 110.62 1pd5 s ASN 162 Ca -0.12 -1.17 0.20 0.00 0.21 0.00 0.00 52.86 51.98 1pd5 s ASN 162 Cb 0.21 -1.23 0.03 0.00 -0.55 0.00 0.00 41.25 39.71 1pd5 s ASN 162 CO 0.81 -0.22 1.02 1.15 -2.79 0.00 0.00 177.10 177.07 1pd5 n MET 163 N 4.65 1.54 -1.67 0.43 0.00 -1.26 -4.84 117.12 115.96 1pd5 n MET 163 Ca -0.13 -1.10 -0.56 0.00 0.00 0.00 0.00 57.70 55.91 1pd5 n MET 163 Cb 0.44 -1.39 -0.07 0.00 0.00 0.00 0.00 33.22 32.20 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 0.21 2.13 0.00 3.17 8.00 -1.26 -0.75 116.55 128.05 1pd5 n ASP 164 Ca 0.09 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1pd5 n ASP 164 Cb 0.43 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 4.48 -4.23 -4.57 -2.24 3.02 -1.26 -4.88 115.26 105.58 1pd5 n ASN 165 Ca 0.24 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.50 1pd5 n ASN 165 Cb 0.14 -2.97 -0.05 0.00 -0.61 0.00 0.00 39.78 36.29 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 -0.89 2.00 -2.01 3.10 5.36 0.07 -4.68 117.98 120.94 1pd5 s PHE 166 Ca 0.00 0.29 0.19 0.00 -0.96 0.00 0.00 56.93 56.45 1pd5 s PHE 166 Cb 0.00 -4.10 0.06 0.00 -0.34 0.00 0.00 43.02 38.64 1pd5 s PHE 166 CO 0.00 -1.43 1.02 1.19 -1.46 0.00 0.00 175.22 174.54 1pd5 n PHE 167 N 13.59 0.00 -2.55 10.12 3.72 -1.26 -4.54 117.46 136.54 1pd5 n PHE 167 Ca 0.43 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.40 1pd5 n PHE 167 Cb 0.47 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.92 3.41 0.44 4.37 0.00 -1.26 -4.68 121.76 122.12 1pd5 s ALA 168 Ca 0.18 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 1pd5 s ALA 168 Cb 0.16 -3.74 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1pd5 s ALA 168 CO 0.38 -1.67 1.19 -2.30 0.00 0.00 0.00 175.76 173.36 1pd5 n PRO 169 N 7.14 1.71 -3.86 0.00 -0.02 -1.26 -4.80 135.00 133.90 1pd5 n PRO 169 Ca 0.13 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.87 1pd5 n PRO 169 Cb 0.47 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.24 3.61 0.13 -1.45 1.01 -1.15 -1.12 120.40 120.19 1pd5 s VAL 170 Ca 0.63 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1pd5 s VAL 170 Cb -0.51 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1pd5 s VAL 170 CO 0.57 0.39 0.08 -0.36 0.00 0.00 0.00 175.10 175.77 1pd5 s PHE 171 N 1.51 3.10 -0.09 5.22 0.40 0.15 -1.88 117.98 126.39 1pd5 s PHE 171 Ca 0.06 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1pd5 s PHE 171 Cb -0.15 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1pd5 s PHE 171 CO -0.01 0.51 0.03 0.99 0.70 0.00 0.00 175.22 177.43 1pd5 s THR 172 N -1.57 0.25 -0.21 0.64 2.01 -0.41 -1.24 115.64 115.11 1pd5 s THR 172 Ca 0.29 0.08 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 1pd5 s THR 172 Cb -0.11 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1pd5 s THR 172 CO 0.22 0.14 0.26 0.00 -0.69 0.00 0.00 174.62 174.55 1pd5 s MET 173 N 2.02 4.14 0.00 4.92 0.23 0.56 -1.67 119.30 129.50 1pd5 s MET 173 Ca 0.04 -0.05 0.00 0.00 -1.03 0.00 0.00 55.69 54.65 1pd5 s MET 173 Cb -0.13 -3.52 0.00 0.00 -1.53 0.00 0.00 34.83 29.65 1pd5 s MET 173 CO -0.05 0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.41 1pd5 n GLY 174 N 3.99 -0.21 3.62 3.16 0.00 0.19 -1.80 105.19 114.16 1pd5 n GLY 174 Ca -0.12 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.89 4.10 0.83 1.61 2.20 -0.53 -4.46 119.74 121.59 1pd5 s LYS 175 Ca 0.00 0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 56.03 1pd5 s LYS 175 Cb 0.00 -3.66 0.09 0.00 -1.51 0.00 0.00 37.83 32.75 1pd5 s LYS 175 CO 0.00 -0.43 1.12 1.52 -0.36 0.00 0.00 175.35 177.20 1pd5 s TYR 176 N 2.52 2.77 0.12 4.03 -0.85 -1.26 -4.46 117.35 120.23 1pd5 s TYR 176 Ca 0.26 1.00 -0.21 0.00 -0.52 0.00 0.00 57.07 57.60 1pd5 s TYR 176 Cb -0.15 -3.25 0.06 0.00 0.38 0.00 0.00 41.96 38.99 1pd5 s TYR 176 CO 0.09 -1.93 0.53 1.52 -1.52 0.00 0.00 175.55 174.23 1pd5 s TYR 177 N -3.26 -0.42 0.23 -3.49 -0.85 -0.77 -4.98 117.35 103.81 1pd5 s TYR 177 Ca 0.62 0.26 -0.23 0.00 -0.52 0.00 0.00 57.07 57.19 1pd5 s TYR 177 Cb -0.14 0.42 -0.09 0.00 0.38 0.00 0.00 41.96 42.54 1pd5 s TYR 177 CO 0.53 -0.76 0.80 0.99 -1.52 0.00 0.00 175.55 175.60 1pd5 s THR 178 N -3.41 4.40 -0.15 -3.49 2.01 -1.26 -1.62 115.64 112.12 1pd5 s THR 178 Ca -0.00 1.59 -0.04 0.00 0.31 0.00 0.00 61.69 63.54 1pd5 s THR 178 Cb -0.00 -4.01 0.06 0.00 0.01 0.00 0.00 72.50 68.56 1pd5 s THR 178 CO -0.10 0.31 0.11 -1.58 -0.69 0.00 0.00 174.62 172.68 1pd5 s GLN 179 N -1.69 0.06 2.89 4.92 0.74 -0.21 -4.93 119.66 121.44 1pd5 s GLN 179 Ca 0.42 0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.94 1pd5 s GLN 179 Cb -0.20 -1.35 0.00 0.00 1.10 0.00 0.00 33.01 32.56 1pd5 s GLN 179 CO 0.24 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.81 1pd5 n GLY 180 N 5.29 2.93 0.10 2.59 0.00 -1.26 0.21 105.19 115.06 1pd5 n GLY 180 Ca -0.06 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 4.16 0.43 -4.91 1.61 10.43 -1.26 -4.90 116.55 122.10 1pd5 n ASP 181 Ca 0.00 -0.54 -0.27 0.00 2.57 0.00 0.00 54.79 56.56 1pd5 n ASP 181 Cb 0.00 -0.09 -0.04 0.00 1.84 0.00 0.00 41.12 42.83 1pd5 n ASP 181 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 1pd5 s LYS 182 N -2.48 3.32 -0.19 -1.24 0.00 0.13 -4.97 119.74 114.30 1pd5 s LYS 182 Ca 0.29 -0.63 -0.10 0.00 0.00 0.00 0.00 55.97 55.53 1pd5 s LYS 182 Cb 0.20 -2.91 -0.05 0.00 0.00 0.00 0.00 37.83 35.08 1pd5 s LYS 182 CO 0.47 0.53 0.13 0.08 0.00 0.00 0.00 175.35 176.57 1pd5 s VAL 183 N -1.70 5.42 0.10 1.79 1.01 -1.26 -1.05 120.40 124.71 1pd5 s VAL 183 Ca 0.34 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1pd5 s VAL 183 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1pd5 s VAL 183 CO 0.27 0.46 -0.16 -0.76 0.00 0.00 0.00 175.10 174.91 1pd5 s LEU 184 N 0.18 2.76 -0.05 3.92 1.43 -0.64 -0.19 118.68 126.09 1pd5 s LEU 184 Ca 0.09 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1pd5 s LEU 184 Cb -0.11 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1pd5 s LEU 184 CO -0.01 0.19 -0.03 -0.32 0.23 0.00 0.00 176.35 176.41 1pd5 s MET 185 N -2.01 0.71 0.06 1.70 1.75 0.14 -1.84 119.30 119.81 1pd5 s MET 185 Ca 0.18 -0.03 -0.31 0.00 -1.25 0.00 0.00 55.69 54.28 1pd5 s MET 185 Cb -0.11 -0.82 -0.08 0.00 2.84 0.00 0.00 34.83 36.66 1pd5 s MET 185 CO 0.10 -0.14 1.59 -2.14 -0.65 0.00 0.00 175.02 173.78 1pd5 s PRO 186 N 1.17 4.22 -0.09 4.11 0.02 -1.26 -0.79 135.00 142.38 1pd5 s PRO 186 Ca -0.07 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1pd5 s PRO 186 Cb -0.14 -3.56 0.02 0.00 0.02 0.00 0.00 34.50 30.84 1pd5 s PRO 186 CO -0.01 -0.69 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.69 1pd5 s LEU 187 N 2.47 1.49 0.21 -5.54 2.96 0.73 0.57 118.68 121.57 1pd5 s LEU 187 Ca 0.71 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.39 1pd5 s LEU 187 Cb -0.38 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 1pd5 s LEU 187 CO 0.31 -0.03 -0.03 0.00 -1.32 0.00 0.00 176.35 175.28 1pd5 s ALA 188 N 1.09 3.10 -0.15 5.97 0.00 -0.67 -0.52 121.76 130.59 1pd5 s ALA 188 Ca -0.06 -1.49 -0.07 0.00 0.00 0.00 0.00 51.96 50.34 1pd5 s ALA 188 Cb -0.14 -0.84 0.07 0.00 0.00 0.00 0.00 23.12 22.20 1pd5 s ALA 188 CO -0.02 0.41 0.34 -1.50 0.00 0.00 0.00 175.76 174.99 1pd5 s ILE 189 N -1.91 -0.28 -0.20 0.00 1.10 -1.01 -1.29 121.20 117.61 1pd5 s ILE 189 Ca 0.28 0.17 -0.07 0.00 -0.51 0.00 0.00 60.65 60.52 1pd5 s ILE 189 Cb -0.08 -0.53 -0.04 0.00 0.15 0.00 0.00 42.46 41.96 1pd5 s ILE 189 CO 0.18 0.07 0.06 -1.58 -2.11 0.00 0.00 174.94 171.56 1pd5 s GLN 190 N 1.92 3.88 0.22 3.50 0.74 -0.79 -1.55 119.66 127.58 1pd5 s GLN 190 Ca -0.05 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 54.98 1pd5 s GLN 190 Cb -0.11 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 1pd5 s GLN 190 CO -0.11 0.14 0.11 0.14 -0.55 0.00 0.00 175.29 175.01 1pd5 s VAL 191 N 0.74 0.28 -0.02 1.34 -7.23 0.38 -2.91 120.40 112.99 1pd5 s VAL 191 Ca 0.03 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.05 1pd5 s VAL 191 Cb -0.13 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1pd5 s VAL 191 CO 0.02 -0.04 0.43 -2.28 -0.31 0.00 0.00 175.10 172.91 1pd5 s HIS 192 N -3.95 3.69 -0.37 2.82 2.46 -1.26 -0.35 115.29 118.33 1pd5 s HIS 192 Ca 0.37 0.98 0.25 0.00 0.47 0.00 0.00 55.06 57.13 1pd5 s HIS 192 Cb 0.07 -2.35 0.50 0.00 -0.13 0.00 0.00 32.58 30.68 1pd5 s HIS 192 CO 0.12 0.55 1.67 1.25 -2.47 0.00 0.00 174.74 175.86 1pd5 h HIS 193 N 5.09 0.00 -0.03 3.88 2.76 -1.28 -2.41 115.15 123.15 1pd5 h HIS 193 Ca -0.49 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.69 1pd5 h HIS 193 Cb 1.21 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 1pd5 h HIS 193 CO 0.69 0.00 0.02 0.00 -1.30 0.00 0.00 177.93 177.34 1pd5 h ALA 194 N 2.01 2.03 0.00 5.26 0.00 -1.78 -3.24 119.26 123.53 1pd5 h ALA 194 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pd5 h ALA 194 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1pd5 h ALA 194 CO 0.00 -0.04 -1.07 1.33 0.00 0.00 0.00 179.25 179.46 1pd5 n VAL 195 N -4.52 0.00 -3.88 0.00 0.24 -1.18 -4.38 118.33 104.61 1pd5 n VAL 195 Ca -0.02 -0.14 -0.22 0.00 -2.04 0.00 0.00 64.34 61.92 1pd5 n VAL 195 Cb 0.12 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 32.80 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 1.64 5.35 0.23 0.00 -0.00 -1.26 -4.37 116.67 118.27 1pd5 s ASP 197 Ca 0.00 1.02 -0.10 0.00 -0.00 0.00 0.00 52.55 53.47 1pd5 s ASP 197 Cb -0.13 -1.81 0.34 0.00 -0.00 0.00 0.00 42.92 41.32 1pd5 s ASP 197 CO -0.04 -1.37 1.62 1.23 -0.00 0.00 0.00 175.17 176.61 1pd5 h GLY 198 N -0.63 0.63 -0.54 0.21 0.00 -1.99 -1.10 103.07 99.64 1pd5 h GLY 198 Ca -0.45 0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.22 1pd5 h GLY 198 CO 0.64 -0.28 -0.24 -2.75 0.00 0.00 0.00 176.54 173.90 1pd5 h PHE 199 N 0.03 -0.59 -0.28 5.60 3.04 -1.97 0.26 116.94 123.03 1pd5 h PHE 199 Ca 0.37 0.07 -0.08 0.00 3.98 0.00 0.00 57.97 62.32 1pd5 h PHE 199 Cb 0.60 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1pd5 h PHE 199 CO -0.53 -0.35 -0.12 0.45 -2.02 0.00 0.00 178.31 175.74 1pd5 h HIS 200 N -0.04 0.67 -0.48 0.41 -0.00 -1.61 1.70 115.15 115.80 1pd5 h HIS 200 Ca 0.33 -0.16 -0.11 0.00 -0.00 0.00 0.00 60.37 60.43 1pd5 h HIS 200 Cb 0.56 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 1pd5 h HIS 200 CO -0.64 0.81 -0.14 0.28 -0.00 0.00 0.00 177.93 178.25 1pd5 h VAL 201 N 0.33 1.27 -0.28 2.45 2.07 -0.66 -1.86 116.25 119.57 1pd5 h VAL 201 Ca 0.07 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.38 1pd5 h VAL 201 Cb 0.63 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1pd5 h VAL 201 CO 0.04 0.44 -0.05 1.23 0.02 0.00 0.00 177.57 179.24 1pd5 h GLY 202 N 0.95 0.22 1.12 2.17 0.00 -0.20 0.11 103.07 107.44 1pd5 h GLY 202 Ca 0.13 0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.41 1pd5 h GLY 202 CO 0.05 -0.09 -0.18 -0.09 0.00 0.00 0.00 176.54 176.22 1pd5 h ARG 203 N 0.02 1.01 -0.22 4.80 2.43 0.33 -2.68 114.38 120.07 1pd5 h ARG 203 Ca 0.13 -0.41 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1pd5 h ARG 203 Cb 0.20 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1pd5 h ARG 203 CO -0.27 1.09 -0.46 1.98 -1.51 0.00 0.00 179.97 180.80 1pd5 h MET 204 N 0.88 -0.40 -0.76 0.20 4.05 -1.06 0.13 114.93 117.97 1pd5 h MET 204 Ca 0.12 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.68 1pd5 h MET 204 Cb 0.76 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.57 1pd5 h MET 204 CO 0.06 -0.27 0.37 -0.07 0.23 0.00 0.00 176.91 177.23 1pd5 h LEU 205 N -0.42 0.46 0.00 3.39 3.38 -0.70 0.16 115.31 121.59 1pd5 h LEU 205 Ca 0.04 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1pd5 h LEU 205 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1pd5 h LEU 205 CO -0.43 0.24 -0.00 0.78 0.09 0.00 0.00 178.44 179.12 1pd5 h ASN 206 N 0.60 -0.00 -0.86 -0.43 2.35 -1.20 -1.59 115.58 114.45 1pd5 h ASN 206 Ca 0.39 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1pd5 h ASN 206 Cb 0.47 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 1pd5 h ASN 206 CO -0.31 0.09 0.57 -0.33 -1.65 0.00 0.00 177.43 175.80 1pd5 h GLU 207 N -0.10 1.09 0.38 0.81 5.08 0.12 -0.60 114.58 121.37 1pd5 h GLU 207 Ca -0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1pd5 h GLU 207 Cb 0.10 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1pd5 h GLU 207 CO 0.00 0.72 -0.43 1.25 -1.00 0.00 0.00 179.01 179.56 1pd5 h LEU 208 N 1.12 -1.18 -1.02 1.33 5.85 -0.52 0.27 115.31 121.17 1pd5 h LEU 208 Ca 0.33 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.26 1pd5 h LEU 208 Cb -0.07 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1pd5 h LEU 208 CO -0.08 -0.57 0.63 -0.61 -0.34 0.00 0.00 178.44 177.47 1pd5 h GLN 209 N -0.84 0.98 0.01 1.25 5.75 -1.08 0.18 115.11 121.35 1pd5 h GLN 209 Ca -0.03 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1pd5 h GLN 209 Cb 0.76 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1pd5 h GLN 209 CO -0.09 0.65 -0.00 0.37 -2.65 0.00 0.00 178.83 177.10 1pd5 h GLN 210 N 1.01 -0.01 -0.49 1.69 4.15 -0.73 -1.22 115.11 119.51 1pd5 h GLN 210 Ca 0.49 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.97 1pd5 h GLN 210 Cb 0.47 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1pd5 h GLN 210 CO -0.25 0.59 0.21 -0.92 -1.93 0.00 0.00 178.83 176.52 1pd5 h TYR 211 N -0.61 0.37 -0.68 3.99 3.20 -0.14 -0.25 116.97 122.86 1pd5 h TYR 211 Ca -0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1pd5 h TYR 211 Cb 0.60 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.70 1pd5 h TYR 211 CO 0.14 0.15 0.29 0.00 -1.64 0.00 0.00 178.16 177.10 1pd5 h ASP 213 N 0.49 0.00 0.00 0.00 3.32 0.22 -3.29 116.42 117.17 1pd5 h ASP 213 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1pd5 h ASP 213 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1pd5 h ASP 213 CO -0.31 0.00 -0.01 -0.62 -1.72 0.00 0.00 179.24 176.58 1pd5 n GLU 214 N -3.06 1.81 -3.24 3.56 1.02 -0.88 -4.85 120.64 114.99 1pd5 n GLU 214 Ca 0.00 -1.16 -0.39 0.00 -0.02 0.00 0.00 57.16 55.60 1pd5 n GLU 214 Cb 0.27 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.67 3.79 -0.22 -0.32 -0.00 -0.22 -4.93 118.94 116.37 1pd5 s TRP 215 Ca 0.01 1.28 0.14 0.00 -0.00 0.00 0.00 56.10 57.53 1pd5 s TRP 215 Cb 0.01 -2.54 0.51 0.00 -0.00 0.00 0.00 33.47 31.46 1pd5 s TRP 215 CO 0.00 0.54 1.44 1.04 -0.00 0.00 0.00 176.95 179.97 1pd5 n GLN 216 N 1.91 2.45 0.00 5.86 6.02 -1.26 -4.90 117.38 127.46 1pd5 n GLN 216 Ca -0.09 -2.95 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 1pd5 n GLN 216 Cb 0.51 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 -0.79 -0.41 2.22 1.08 0.00 -1.26 -5.08 105.19 100.95 1pd5 n GLY 217 Ca 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1pd5 n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93