#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd5 n LYS 4 N 0.00 0.00 -2.27 1.97 5.02 -1.26 -5.15 118.16 116.47 1pd5 n LYS 4 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1pd5 n LYS 4 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1pd5 n LYS 4 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pd5 s ILE 5 N 0.00 3.12 0.05 -0.18 -1.09 -1.26 -5.02 121.20 116.82 1pd5 s ILE 5 Ca 0.00 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1pd5 s ILE 5 Cb 0.00 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1pd5 s ILE 5 CO 0.00 0.03 0.15 0.42 -1.23 0.00 0.00 174.94 174.31 1pd5 s THR 6 N -1.49 5.05 0.57 2.92 -4.23 -1.26 -5.09 115.64 112.12 1pd5 s THR 6 Ca 0.61 -0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 1pd5 s THR 6 Cb -0.30 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1pd5 s THR 6 CO 0.37 0.19 1.07 -0.83 -0.54 0.00 0.00 174.62 174.87 1pd5 s GLY 7 N -2.29 2.27 0.41 3.99 0.00 -1.26 -4.93 107.32 105.52 1pd5 s GLY 7 Ca 0.31 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.60 1pd5 s GLY 7 CO 0.23 0.84 0.01 -2.52 0.00 0.00 0.00 173.10 171.66 1pd5 s TYR 8 N -2.25 2.41 -0.08 1.90 -0.85 -1.26 -0.44 117.35 116.79 1pd5 s TYR 8 Ca 0.66 -0.72 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 1pd5 s TYR 8 Cb -0.18 -1.73 0.01 0.00 0.38 0.00 0.00 41.96 40.45 1pd5 s TYR 8 CO 0.33 0.39 -0.13 -0.08 -1.52 0.00 0.00 175.55 174.54 1pd5 s THR 9 N -2.77 1.22 0.49 -3.49 -1.32 0.76 -4.89 115.64 105.64 1pd5 s THR 9 Ca 0.32 -0.51 -0.23 0.00 -1.21 0.00 0.00 61.69 60.06 1pd5 s THR 9 Cb 0.09 -1.12 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 1pd5 s THR 9 CO 0.16 0.38 1.23 0.28 -2.21 0.00 0.00 174.62 174.47 1pd5 s THR 10 N 0.79 2.75 -0.18 5.08 -1.32 -1.26 0.55 115.64 122.05 1pd5 s THR 10 Ca -0.12 0.56 -0.08 0.00 -1.21 0.00 0.00 61.69 60.85 1pd5 s THR 10 Cb -0.15 -3.29 -0.04 0.00 -1.51 0.00 0.00 72.50 67.51 1pd5 s THR 10 CO 0.02 -0.00 0.08 -0.69 -2.21 0.00 0.00 174.62 171.82 1pd5 s VAL 11 N -1.45 4.94 -1.07 5.08 1.01 -0.76 -4.83 120.40 123.32 1pd5 s VAL 11 Ca 0.66 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 1pd5 s VAL 11 Cb -0.33 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 32.99 1pd5 s VAL 11 CO 0.40 0.47 1.26 -0.62 0.00 0.00 0.00 175.10 176.61 1pd5 s ASP 12 N 0.22 6.88 0.54 3.32 -1.08 -1.26 -4.84 116.67 120.44 1pd5 s ASP 12 Ca 0.05 -2.59 0.34 0.00 -0.52 0.00 0.00 52.55 49.84 1pd5 s ASP 12 Cb -0.12 -2.39 1.52 0.00 -1.46 0.00 0.00 42.92 40.47 1pd5 s ASP 12 CO -0.00 -0.86 1.83 0.40 0.52 0.00 0.00 175.17 177.06 1pd5 h ILE 13 N 5.14 0.45 0.00 4.11 2.04 -1.96 -2.48 117.51 124.81 1pd5 h ILE 13 Ca 0.23 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.88 1pd5 h ILE 13 Cb 0.95 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1pd5 h ILE 13 CO 1.16 0.00 -1.66 -1.54 0.00 0.00 0.00 178.15 176.11 1pd5 n SER 14 N -4.18 0.69 0.02 1.72 3.41 -1.26 -2.73 113.62 111.29 1pd5 n SER 14 Ca 0.22 0.31 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1pd5 n SER 14 Cb 1.12 0.33 0.21 0.00 -0.26 0.00 0.00 64.21 65.62 1pd5 n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pd5 n GLN 15 N -2.87 0.03 -3.34 4.33 1.13 -1.00 -4.84 117.38 110.81 1pd5 n GLN 15 Ca -0.14 0.40 -0.39 0.00 -1.94 0.00 0.00 57.00 54.93 1pd5 n GLN 15 Cb 0.92 -1.57 -0.08 0.00 0.11 0.00 0.00 30.24 29.62 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 -3.07 3.29 0.18 1.08 -0.00 -0.97 -4.98 118.94 114.47 1pd5 s TRP 16 Ca 0.03 0.54 0.32 0.00 -0.00 0.00 0.00 56.10 57.00 1pd5 s TRP 16 Cb 0.05 -2.60 1.74 0.00 -0.00 0.00 0.00 33.47 32.66 1pd5 s TRP 16 CO 0.16 -0.17 1.99 0.45 -0.00 0.00 0.00 176.95 179.37 1pd5 h HIS 17 N 7.87 0.00 -0.71 5.86 3.86 -1.88 -1.06 115.15 129.08 1pd5 h HIS 17 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1pd5 h HIS 17 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1pd5 h HIS 17 CO 0.73 0.00 0.00 0.54 0.86 0.00 0.00 177.93 180.06 1pd5 n ARG 18 N -2.64 3.13 -0.22 2.45 1.74 -1.26 -4.66 116.66 115.19 1pd5 n ARG 18 Ca -0.02 -2.76 -0.06 0.00 -0.77 0.00 0.00 57.85 54.25 1pd5 n ARG 18 Cb 0.06 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 29.74 1pd5 n ARG 18 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1pd5 n LYS 19 N 1.47 -0.23 0.09 5.56 0.00 -0.40 -0.47 118.16 124.17 1pd5 n LYS 19 Ca 0.25 1.05 0.00 0.00 0.00 0.00 0.00 58.31 59.61 1pd5 n LYS 19 Cb 0.73 -1.55 0.31 0.00 0.00 0.00 0.00 35.03 34.53 1pd5 n LYS 19 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1pd5 h GLU 20 N 0.00 0.28 -0.09 1.64 5.08 -1.86 -2.01 114.58 117.61 1pd5 h GLU 20 Ca 0.09 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pd5 h GLU 20 Cb 0.22 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1pd5 h GLU 20 CO -0.50 0.50 -0.07 0.45 -1.00 0.00 0.00 179.01 178.39 1pd5 h HIS 21 N 0.25 -0.16 -0.43 4.33 3.86 -1.62 0.19 115.15 121.58 1pd5 h HIS 21 Ca 0.04 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1pd5 h HIS 21 Cb 0.55 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 1pd5 h HIS 21 CO 0.01 -0.10 0.18 0.35 0.86 0.00 0.00 177.93 179.23 1pd5 h PHE 22 N -0.07 0.33 -0.39 2.45 3.04 -0.42 0.78 116.94 122.66 1pd5 h PHE 22 Ca 0.06 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.90 1pd5 h PHE 22 Cb 0.16 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1pd5 h PHE 22 CO -0.18 0.14 -0.28 0.93 -2.02 0.00 0.00 178.31 176.91 1pd5 h GLU 23 N 0.37 0.88 0.51 1.11 5.08 -1.27 -0.20 114.58 121.06 1pd5 h GLU 23 Ca 0.20 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1pd5 h GLU 23 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pd5 h GLU 23 CO -0.17 1.07 -0.24 0.00 -1.00 0.00 0.00 179.01 178.66 1pd5 h ALA 24 N 0.79 -0.68 0.00 3.43 0.00 -0.10 -3.11 119.26 119.59 1pd5 h ALA 24 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pd5 h ALA 24 Cb 0.85 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pd5 h ALA 24 CO 0.07 -0.80 0.00 1.19 0.00 0.00 0.00 179.25 179.72 1pd5 n PHE 25 N -5.32 0.00 0.62 0.00 3.01 0.27 -1.48 117.46 114.56 1pd5 n PHE 25 Ca -0.11 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.47 1pd5 n PHE 25 Cb 0.31 -0.33 0.33 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.33 0.27 0.00 -1.08 1.13 -0.10 -4.00 117.38 112.26 1pd5 n GLN 26 Ca 0.09 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1pd5 n GLN 26 Cb 0.19 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.78 1pd5 n GLN 26 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1pd5 n SER 27 N -2.21 0.00 0.10 1.08 3.41 -0.55 -4.86 113.62 110.59 1pd5 n SER 27 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1pd5 n SER 27 Cb 0.43 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.92 0.00 -3.33 -1.51 -1.85 -1.52 116.25 108.96 1pd5 h VAL 28 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1pd5 h VAL 28 Cb 0.00 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1pd5 h VAL 28 CO 0.00 0.14 0.00 0.00 -1.23 0.00 0.00 177.57 176.48 1pd5 n ALA 29 N -2.38 1.23 -1.67 5.19 0.00 -1.25 -4.91 120.51 116.72 1pd5 n ALA 29 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.86 1pd5 n ALA 29 Cb 0.23 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.55 1.86 -4.05 0.00 7.27 -0.57 -4.72 117.38 116.62 1pd5 n GLN 30 Ca 0.00 0.68 -0.10 0.00 0.07 0.00 0.00 57.00 57.65 1pd5 n GLN 30 Cb 0.00 -2.44 -0.07 0.00 2.41 0.00 0.00 30.24 30.14 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 -4.05 1.71 0.14 0.00 -1.32 -1.26 -0.92 115.64 109.94 1pd5 s THR 32 Ca 0.26 -0.91 0.08 0.00 -1.21 0.00 0.00 61.69 59.91 1pd5 s THR 32 Cb 0.02 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 1pd5 s THR 32 CO 0.09 0.48 -0.18 -0.72 -2.21 0.00 0.00 174.62 172.09 1pd5 s TYR 33 N -0.37 1.71 0.06 9.09 -0.85 0.22 -4.90 117.35 122.31 1pd5 s TYR 33 Ca 0.05 -0.48 0.09 0.00 -0.52 0.00 0.00 57.07 56.21 1pd5 s TYR 33 Cb -0.10 -0.87 -0.03 0.00 0.38 0.00 0.00 41.96 41.34 1pd5 s TYR 33 CO 0.00 0.26 -0.25 -0.80 -1.52 0.00 0.00 175.55 173.24 1pd5 s ASN 34 N -2.48 3.02 -0.13 -0.18 -0.87 -1.26 -0.97 114.94 112.07 1pd5 s ASN 34 Ca 0.12 -0.61 -0.13 0.00 -1.57 0.00 0.00 52.86 50.67 1pd5 s ASN 34 Cb -0.06 -0.25 0.04 0.00 -0.02 0.00 0.00 41.25 40.95 1pd5 s ASN 34 CO 0.05 0.21 0.37 -1.10 -2.57 0.00 0.00 177.10 174.06 1pd5 s GLN 35 N -1.41 0.44 -0.07 -0.60 -0.21 -0.94 -4.99 119.66 111.88 1pd5 s GLN 35 Ca 0.11 0.49 0.04 0.00 0.02 0.00 0.00 55.36 56.01 1pd5 s GLN 35 Cb -0.10 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.13 1pd5 s GLN 35 CO 0.03 -0.06 -0.17 0.99 -2.12 0.00 0.00 175.29 173.96 1pd5 s THR 36 N 0.14 1.49 0.16 -0.19 2.01 -1.26 -1.56 115.64 116.43 1pd5 s THR 36 Ca -0.00 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.38 1pd5 s THR 36 Cb -0.03 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1pd5 s THR 36 CO 0.01 0.43 -0.12 0.54 -0.69 0.00 0.00 174.62 174.79 1pd5 s VAL 37 N 0.34 3.09 -1.11 3.82 0.11 -0.26 -4.95 120.40 121.44 1pd5 s VAL 37 Ca -0.11 -1.63 -0.14 0.00 -2.93 0.00 0.00 61.98 57.17 1pd5 s VAL 37 Cb -0.15 -2.51 0.19 0.00 -1.53 0.00 0.00 36.38 32.38 1pd5 s VAL 37 CO 0.04 -0.06 1.26 -1.10 -3.33 0.00 0.00 175.10 171.92 1pd5 s GLN 38 N -2.66 3.98 0.16 1.54 -1.52 -1.26 -1.62 119.66 118.27 1pd5 s GLN 38 Ca 0.23 -2.52 -0.34 0.00 -1.95 0.00 0.00 55.36 50.78 1pd5 s GLN 38 Cb -0.09 -4.90 -0.14 0.00 -0.22 0.00 0.00 33.01 27.66 1pd5 s GLN 38 CO 0.14 -1.64 1.48 -0.11 -0.25 0.00 0.00 175.29 174.91 1pd5 n LEU 39 N 5.17 2.71 -4.58 2.90 0.00 -0.72 -4.65 117.00 117.84 1pd5 n LEU 39 Ca 0.30 1.10 -0.43 0.00 0.00 0.00 0.00 56.01 56.99 1pd5 n LEU 39 Cb 0.44 -1.37 -0.03 0.00 0.00 0.00 0.00 43.42 42.46 1pd5 n LEU 39 CO 0.55 -0.53 0.97 -0.62 0.00 0.00 0.00 177.39 177.76 1pd5 s ASP 40 N 0.68 6.52 -0.18 1.96 3.68 -1.26 0.84 116.67 128.91 1pd5 s ASP 40 Ca 0.78 0.22 0.16 0.00 2.13 0.00 0.00 52.55 55.84 1pd5 s ASP 40 Cb -0.74 -2.52 0.46 0.00 -1.45 0.00 0.00 42.92 38.66 1pd5 s ASP 40 CO 0.42 -1.29 1.35 2.30 0.13 0.00 0.00 175.17 178.08 1pd5 n ILE 41 N 6.67 2.22 -0.05 4.11 -5.35 0.70 -4.67 119.36 122.98 1pd5 n ILE 41 Ca 0.09 -2.15 -0.14 0.00 -0.27 0.00 0.00 62.75 60.28 1pd5 n ILE 41 Cb 0.49 -0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 38.04 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 1.17 0.02 -0.34 7.28 2.02 -1.88 0.80 112.91 121.98 1pd5 h THR 42 Ca 0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1pd5 h THR 42 Cb 1.34 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1pd5 h THR 42 CO 0.18 0.00 0.03 0.00 0.37 0.00 0.00 175.52 176.10 1pd5 h ALA 43 N -0.12 1.43 -0.14 6.16 0.00 -1.90 -1.21 119.26 123.48 1pd5 h ALA 43 Ca 0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1pd5 h ALA 43 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pd5 h ALA 43 CO -0.49 0.41 -0.26 0.35 0.00 0.00 0.00 179.25 179.26 1pd5 h PHE 44 N 0.50 0.53 -0.64 0.00 3.57 -1.41 -2.16 116.94 117.34 1pd5 h PHE 44 Ca 0.11 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.46 1pd5 h PHE 44 Cb 0.27 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 1pd5 h PHE 44 CO 0.01 0.88 0.38 1.25 -2.23 0.00 0.00 178.31 178.60 1pd5 h LEU 45 N 0.02 0.59 0.09 0.59 6.46 -0.79 0.41 115.31 122.68 1pd5 h LEU 45 Ca 0.01 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1pd5 h LEU 45 Cb 0.85 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1pd5 h LEU 45 CO 0.06 0.40 -0.09 0.11 -0.62 0.00 0.00 178.44 178.30 1pd5 h LYS 46 N 0.72 -0.19 -0.96 1.25 1.57 -0.86 -0.48 116.57 117.62 1pd5 h LYS 46 Ca 0.27 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 1pd5 h LYS 46 Cb 0.08 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1pd5 h LYS 46 CO -0.13 -0.13 0.61 1.15 -0.57 0.00 0.00 179.45 180.38 1pd5 h THR 47 N -0.20 0.95 0.05 -0.16 2.02 -1.22 0.63 112.91 114.98 1pd5 h THR 47 Ca 0.01 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1pd5 h THR 47 Cb 0.19 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1pd5 h THR 47 CO -0.03 0.17 -0.02 0.58 0.37 0.00 0.00 175.52 176.59 1pd5 h VAL 48 N 0.95 1.11 0.24 3.16 2.07 -0.30 -2.18 116.25 121.31 1pd5 h VAL 48 Ca 0.46 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1pd5 h VAL 48 Cb 0.45 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1pd5 h VAL 48 CO -0.22 0.12 -0.12 0.11 0.02 0.00 0.00 177.57 177.49 1pd5 h LYS 49 N -0.28 -0.32 -0.95 1.57 1.57 -0.32 -0.38 116.57 117.47 1pd5 h LYS 49 Ca -0.01 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 58.99 1pd5 h LYS 49 Cb 0.25 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 1pd5 h LYS 49 CO 0.01 -0.08 0.61 -0.22 -0.57 0.00 0.00 179.45 179.20 1pd5 h LYS 50 N -0.52 0.54 -0.42 3.15 3.64 -0.97 -2.21 116.57 119.79 1pd5 h LYS 50 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1pd5 h LYS 50 Cb 0.39 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1pd5 h LYS 50 CO 0.05 0.36 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 1pd5 n ASN 51 N -4.60 3.62 -3.97 4.20 3.02 -0.79 -4.94 115.26 111.81 1pd5 n ASN 51 Ca 0.21 -2.35 -0.30 0.00 -0.03 0.00 0.00 54.58 52.11 1pd5 n ASN 51 Cb 0.64 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.47 -0.70 -3.09 3.52 4.01 -0.58 -4.95 118.16 116.83 1pd5 n LYS 52 Ca 0.18 0.01 -0.33 0.00 -0.51 0.00 0.00 58.31 57.65 1pd5 n LYS 52 Cb 0.65 -2.32 -0.06 0.00 -0.51 0.00 0.00 35.03 32.79 1pd5 n LYS 52 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1pd5 s HIS 53 N -3.98 3.43 -0.11 2.13 3.76 -0.26 -5.01 115.29 115.25 1pd5 s HIS 53 Ca 0.17 1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 56.09 1pd5 s HIS 53 Cb -0.10 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1pd5 s HIS 53 CO 0.78 0.13 1.62 0.21 -0.85 0.00 0.00 174.74 176.62 1pd5 s LYS 54 N -2.78 4.06 0.18 1.40 2.20 -1.26 -4.81 119.74 118.73 1pd5 s LYS 54 Ca 0.53 2.01 -0.21 0.00 -0.36 0.00 0.00 55.97 57.93 1pd5 s LYS 54 Cb -0.12 -3.99 0.10 0.00 -1.51 0.00 0.00 37.83 32.31 1pd5 s LYS 54 CO 0.18 -0.98 1.40 0.34 -0.36 0.00 0.00 175.35 175.93 1pd5 n PHE 55 N 7.52 -0.16 0.22 4.03 7.35 -1.26 -3.06 117.46 132.10 1pd5 n PHE 55 Ca 0.18 1.12 -0.15 0.00 -0.76 0.00 0.00 57.45 57.83 1pd5 n PHE 55 Cb 0.44 -0.72 -0.08 0.00 0.35 0.00 0.00 39.48 39.47 1pd5 n PHE 55 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1pd5 h TYR 56 N 0.00 -0.55 -0.19 -5.13 3.20 -2.00 -1.00 116.97 111.29 1pd5 h TYR 56 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1pd5 h TYR 56 Cb 0.47 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1pd5 h TYR 56 CO -0.85 -0.33 0.07 -1.00 -1.64 0.00 0.00 178.16 174.40 1pd5 h PRO 57 N -0.55 0.26 0.14 1.82 0.13 -1.99 -1.03 132.00 130.79 1pd5 h PRO 57 Ca -0.04 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1pd5 h PRO 57 Cb 0.44 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1pd5 h PRO 57 CO 0.05 0.23 -0.07 0.00 -0.23 0.00 0.00 178.00 177.99 1pd5 h ALA 58 N 1.81 -0.19 -0.94 -0.56 0.00 -1.33 0.11 119.26 118.17 1pd5 h ALA 58 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pd5 h ALA 58 Cb 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1pd5 h ALA 58 CO -0.01 -0.45 0.60 0.35 0.00 0.00 0.00 179.25 179.74 1pd5 h PHE 59 N -0.49 1.20 0.01 0.00 3.57 -1.10 -2.62 116.94 117.51 1pd5 h PHE 59 Ca -0.02 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1pd5 h PHE 59 Cb 0.39 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1pd5 h PHE 59 CO 0.02 0.77 -0.10 0.82 -2.23 0.00 0.00 178.31 177.60 1pd5 h ILE 60 N 1.28 0.76 -0.88 1.41 2.04 -1.08 -2.43 117.51 118.61 1pd5 h ILE 60 Ca 0.34 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.32 1pd5 h ILE 60 Cb -0.11 0.76 -0.13 0.00 -0.74 0.00 0.00 36.82 36.59 1pd5 h ILE 60 CO -0.07 0.00 -0.47 -0.74 0.00 0.00 0.00 178.15 176.87 1pd5 h HIS 61 N -0.17 -1.41 -0.08 1.37 2.76 -0.68 0.27 115.15 117.21 1pd5 h HIS 61 Ca 0.03 0.11 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1pd5 h HIS 61 Cb 0.21 0.74 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 1pd5 h HIS 61 CO -0.15 -0.40 -0.16 0.82 -1.30 0.00 0.00 177.93 176.73 1pd5 h ILE 62 N -0.07 0.58 -0.24 6.26 2.04 -1.23 0.34 117.51 125.20 1pd5 h ILE 62 Ca 0.24 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.15 1pd5 h ILE 62 Cb 0.53 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 1pd5 h ILE 62 CO -0.89 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 176.76 1pd5 h LEU 63 N -0.23 -1.39 -0.90 1.44 3.38 -0.93 0.14 115.31 116.82 1pd5 h LEU 63 Ca 0.08 0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.38 1pd5 h LEU 63 Cb 0.34 0.58 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1pd5 h LEU 63 CO -0.22 -0.41 0.51 0.00 0.09 0.00 0.00 178.44 178.41 1pd5 h ALA 64 N 0.20 1.36 -0.19 1.53 0.00 -0.21 0.14 119.26 122.09 1pd5 h ALA 64 Ca 0.10 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1pd5 h ALA 64 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pd5 h ALA 64 CO -0.47 0.02 -0.24 0.07 0.00 0.00 0.00 179.25 178.63 1pd5 h ARG 65 N 0.75 0.35 -0.59 0.00 0.11 0.23 -2.47 114.38 112.77 1pd5 h ARG 65 Ca 0.47 -0.12 0.04 0.00 0.10 0.00 0.00 59.98 60.48 1pd5 h ARG 65 Cb 0.60 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.60 1pd5 h ARG 65 CO -0.32 0.57 0.33 -0.07 0.10 0.00 0.00 179.97 180.58 1pd5 h LEU 66 N 0.32 0.50 -1.55 0.08 3.38 -0.08 -2.81 115.31 115.15 1pd5 h LEU 66 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1pd5 h LEU 66 Cb 0.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1pd5 h LEU 66 CO 0.04 0.34 0.02 0.24 0.09 0.00 0.00 178.44 179.17 1pd5 h MET 67 N 0.63 0.30 -0.53 1.13 2.86 -0.47 -3.09 114.93 115.76 1pd5 h MET 67 Ca 0.25 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1pd5 h MET 67 Cb 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1pd5 h MET 67 CO -0.15 0.31 0.00 0.09 1.06 0.00 0.00 176.91 178.23 1pd5 n ASN 68 N -4.38 2.85 0.00 1.22 3.02 -0.96 -3.66 115.26 113.35 1pd5 n ASN 68 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 1pd5 n ASN 68 Cb 0.17 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 0.77 1.73 -3.57 5.41 0.00 -1.16 -4.98 120.51 118.71 1pd5 n ALA 69 Ca 0.16 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1pd5 n ALA 69 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.28 -0.20 0.36 0.00 3.76 -1.24 -5.02 115.29 112.67 1pd5 s HIS 70 Ca 0.00 0.32 0.10 0.00 -0.15 0.00 0.00 55.06 55.33 1pd5 s HIS 70 Cb 0.00 -0.35 0.69 0.00 1.11 0.00 0.00 32.58 34.03 1pd5 s HIS 70 CO 0.00 -0.48 1.84 -1.35 -0.85 0.00 0.00 174.74 173.90 1pd5 h PRO 71 N 8.34 0.17 -0.05 8.40 0.11 -1.94 -2.63 132.00 144.40 1pd5 h PRO 71 Ca -0.15 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.92 1pd5 h PRO 71 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pd5 h PRO 71 CO 0.23 0.43 0.58 1.05 -0.21 0.00 0.00 178.00 180.08 1pd5 h GLU 72 N 0.15 0.00 -0.02 1.05 9.09 -1.93 0.31 114.58 123.23 1pd5 h GLU 72 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1pd5 h GLU 72 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 1pd5 h GLU 72 CO 0.04 0.00 -0.01 1.19 0.05 0.00 0.00 179.01 180.28 1pd5 n PHE 73 N -2.82 0.00 -0.79 2.06 3.01 -0.99 -4.21 117.46 113.72 1pd5 n PHE 73 Ca -0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1pd5 n PHE 73 Cb 0.62 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.33 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 2.93 -2.39 -1.08 1.74 0.11 -4.58 116.66 114.48 1pd5 n ARG 74 Ca 0.12 -2.65 -0.28 0.00 -0.77 0.00 0.00 57.85 54.27 1pd5 n ARG 74 Cb 0.50 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.37 3.34 0.07 5.56 -1.94 -1.19 -2.42 119.30 120.35 1pd5 s MET 75 Ca 0.37 0.25 -0.26 0.00 -1.71 0.00 0.00 55.69 54.34 1pd5 s MET 75 Cb 0.29 -2.27 0.08 0.00 2.01 0.00 0.00 34.83 34.94 1pd5 s MET 75 CO 0.11 -0.46 0.83 0.00 -0.01 0.00 0.00 175.02 175.49 1pd5 s ALA 76 N -2.93 -1.71 -0.31 3.03 0.00 0.12 -4.65 121.76 115.31 1pd5 s ALA 76 Ca 0.51 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1pd5 s ALA 76 Cb -0.11 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1pd5 s ALA 76 CO 0.47 -0.79 0.43 1.41 0.00 0.00 0.00 175.76 177.27 1pd5 s MET 77 N -3.32 3.80 -0.18 0.00 1.75 -1.26 -0.16 119.30 119.92 1pd5 s MET 77 Ca 0.06 -0.10 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 1pd5 s MET 77 Cb -0.01 -3.74 0.05 0.00 2.84 0.00 0.00 34.83 33.97 1pd5 s MET 77 CO -0.07 -0.45 -0.04 0.21 -0.65 0.00 0.00 175.02 174.02 1pd5 s LYS 78 N 2.18 1.33 -0.94 4.11 2.20 0.90 -4.74 119.74 124.78 1pd5 s LYS 78 Ca 0.16 -0.57 -0.21 0.00 -0.36 0.00 0.00 55.97 54.98 1pd5 s LYS 78 Cb -0.16 -2.10 0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1pd5 s LYS 78 CO 0.11 -0.49 0.56 -0.25 -0.36 0.00 0.00 175.35 174.92 1pd5 n ASP 79 N 4.87 -3.70 0.00 1.43 9.92 -1.26 -2.03 116.55 125.79 1pd5 n ASP 79 Ca -0.11 -1.04 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1pd5 n ASP 79 Cb 0.47 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1pd5 n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pd5 n GLY 80 N -1.81 0.70 3.62 0.44 0.00 -1.26 -4.98 105.19 101.90 1pd5 n GLY 80 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.40 2.27 0.08 1.61 2.02 -0.86 -5.09 118.70 118.33 1pd5 s GLU 81 Ca 0.00 -0.99 -0.26 0.00 0.02 0.00 0.00 54.97 53.75 1pd5 s GLU 81 Cb 0.00 -2.37 -0.06 0.00 0.10 0.00 0.00 34.13 31.80 1pd5 s GLU 81 CO 0.00 0.51 0.80 -1.17 0.02 0.00 0.00 175.26 175.42 1pd5 s LEU 82 N -2.33 4.49 0.09 1.80 2.96 -1.26 -0.07 118.68 124.36 1pd5 s LEU 82 Ca 0.23 1.55 -0.05 0.00 -0.22 0.00 0.00 54.13 55.64 1pd5 s LEU 82 Cb -0.11 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1pd5 s LEU 82 CO 0.16 0.04 0.11 -0.69 -1.32 0.00 0.00 176.35 174.65 1pd5 s VAL 83 N -0.27 0.15 -0.30 1.68 1.01 0.77 -1.84 120.40 121.59 1pd5 s VAL 83 Ca 0.39 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1pd5 s VAL 83 Cb -0.21 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.67 1pd5 s VAL 83 CO 0.25 -0.68 0.04 -0.63 0.00 0.00 0.00 175.10 174.08 1pd5 s ILE 84 N -3.93 1.61 0.31 2.22 1.01 0.19 -0.70 121.20 121.91 1pd5 s ILE 84 Ca 0.11 -1.75 -0.27 0.00 0.00 0.00 0.00 60.65 58.74 1pd5 s ILE 84 Cb 0.06 -2.12 -0.14 0.00 0.01 0.00 0.00 42.46 40.27 1pd5 s ILE 84 CO -0.07 -0.51 0.92 0.79 0.00 0.00 0.00 174.94 176.07 1pd5 n TRP 85 N 4.56 0.92 0.18 3.97 5.03 -1.02 -0.17 117.44 130.92 1pd5 n TRP 85 Ca -0.02 0.71 0.04 0.00 3.03 0.00 0.00 57.50 61.26 1pd5 n TRP 85 Cb 0.42 -2.19 0.32 0.00 -1.03 0.00 0.00 31.31 28.83 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 1.73 0.00 -5.28 -0.99 3.45 -1.09 -3.45 116.42 110.79 1pd5 h ASP 86 Ca -0.39 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.97 1pd5 h ASP 86 Cb 1.36 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 40.01 1pd5 h ASP 86 CO 0.59 0.41 -0.27 -0.94 -1.57 0.00 0.00 179.24 177.46 1pd5 s SER 87 N -6.53 -0.01 0.08 6.45 1.04 -1.26 -5.06 113.70 108.41 1pd5 s SER 87 Ca -0.00 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.55 1pd5 s SER 87 Cb 0.12 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1pd5 s SER 87 CO 0.70 -0.97 -0.12 0.68 0.98 0.00 0.00 173.24 174.50 1pd5 s VAL 88 N -4.00 1.02 -0.02 5.02 -7.23 -1.26 -4.87 120.40 109.06 1pd5 s VAL 88 Ca 0.21 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 59.05 1pd5 s VAL 88 Cb 0.02 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 1pd5 s VAL 88 CO 0.04 -0.35 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.22 1pd5 s HIS 89 N -1.67 2.30 0.44 2.82 3.76 -0.50 -4.71 115.29 117.74 1pd5 s HIS 89 Ca 0.00 -0.46 -0.24 0.00 -0.15 0.00 0.00 55.06 54.21 1pd5 s HIS 89 Cb -0.08 -1.49 -0.08 0.00 1.11 0.00 0.00 32.58 32.05 1pd5 s HIS 89 CO 0.02 -0.06 1.20 -1.25 -0.85 0.00 0.00 174.74 173.80 1pd5 s PRO 90 N -0.55 3.83 -0.26 8.40 0.04 -1.24 -2.72 135.00 142.49 1pd5 s PRO 90 Ca 0.08 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1pd5 s PRO 90 Cb -0.10 -2.53 0.07 0.00 0.04 0.00 0.00 34.50 31.98 1pd5 s PRO 90 CO -0.00 -0.52 -0.01 0.00 0.04 0.00 0.00 177.00 176.50 1pd5 s TYR 92 N 1.38 2.03 0.29 0.00 -0.85 0.16 -1.40 117.35 118.96 1pd5 s TYR 92 Ca -0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 57.07 55.92 1pd5 s TYR 92 Cb -0.19 -1.09 -0.05 0.00 0.38 0.00 0.00 41.96 41.02 1pd5 s TYR 92 CO -0.10 0.40 0.53 0.95 -1.52 0.00 0.00 175.55 175.81 1pd5 s THR 93 N -2.87 5.06 -0.03 -3.49 -4.23 -1.03 -1.25 115.64 107.81 1pd5 s THR 93 Ca 0.29 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1pd5 s THR 93 Cb 0.02 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1pd5 s THR 93 CO 0.12 -0.34 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.08 1pd5 s VAL 94 N -2.09 0.78 -0.13 2.29 1.01 0.70 -4.77 120.40 118.19 1pd5 s VAL 94 Ca 0.43 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1pd5 s VAL 94 Cb -0.11 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1pd5 s VAL 94 CO 0.31 0.24 0.09 0.12 0.00 0.00 0.00 175.10 175.86 1pd5 s PHE 95 N 0.18 3.41 -0.42 5.22 5.36 -1.26 -1.20 117.98 129.27 1pd5 s PHE 95 Ca -0.03 0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 56.17 1pd5 s PHE 95 Cb -0.08 -1.94 0.06 0.00 -0.34 0.00 0.00 43.02 40.71 1pd5 s PHE 95 CO 0.00 0.54 0.30 -1.01 -1.46 0.00 0.00 175.22 173.59 1pd5 s HIS 96 N -0.67 3.27 0.32 10.12 3.76 -0.13 -4.99 115.29 126.98 1pd5 s HIS 96 Ca 0.12 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 54.00 1pd5 s HIS 96 Cb -0.12 -2.85 0.67 0.00 1.11 0.00 0.00 32.58 31.39 1pd5 s HIS 96 CO 0.02 -0.75 1.88 0.93 -0.85 0.00 0.00 174.74 175.98 1pd5 h GLU 97 N 8.56 0.84 0.14 1.40 5.08 -1.98 0.17 114.58 128.79 1pd5 h GLU 97 Ca -0.26 -0.05 -0.32 0.00 -1.00 0.00 0.00 59.36 57.74 1pd5 h GLU 97 Cb 1.10 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1pd5 h GLU 97 CO 0.77 0.55 -1.56 -0.56 -1.00 0.00 0.00 179.01 177.22 1pd5 h GLN 98 N 0.86 0.30 -0.00 2.33 -0.00 -1.95 -3.20 115.11 113.45 1pd5 h GLN 98 Ca 0.43 -0.51 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1pd5 h GLN 98 Cb 0.47 0.19 0.00 0.00 -0.00 0.00 0.00 27.48 28.13 1pd5 h GLN 98 CO -0.19 1.18 -0.23 0.25 -0.00 0.00 0.00 178.83 179.83 1pd5 n THR 99 N -3.50 0.00 -3.80 1.86 -2.24 -1.14 -4.93 114.28 100.53 1pd5 n THR 99 Ca -0.18 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 1pd5 n THR 99 Cb 1.05 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.99 -5.46 -4.55 -0.78 1.02 0.60 -5.00 120.64 105.49 1pd5 n GLU 100 Ca 0.11 0.62 -0.26 0.00 -0.02 0.00 0.00 57.16 57.62 1pd5 n GLU 100 Cb 0.32 -5.39 -0.10 0.00 -0.02 0.00 0.00 31.44 26.25 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 -3.45 1.32 0.35 2.62 -4.23 -1.21 -4.99 115.64 106.03 1pd5 s THR 101 Ca 0.38 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1pd5 s THR 101 Cb -0.19 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 1pd5 s THR 101 CO 0.82 0.00 0.09 0.72 -0.54 0.00 0.00 174.62 175.71 1pd5 s PHE 102 N -3.06 1.83 0.08 3.99 -0.12 -1.26 -0.95 117.98 118.48 1pd5 s PHE 102 Ca 0.30 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.07 1pd5 s PHE 102 Cb 0.07 -1.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.25 1pd5 s PHE 102 CO 0.14 -0.17 -0.06 -1.12 -0.05 0.00 0.00 175.22 173.97 1pd5 s SER 103 N -3.51 0.95 -0.24 1.98 0.01 -0.34 -4.69 113.70 107.87 1pd5 s SER 103 Ca 0.32 -0.89 -0.04 0.00 1.31 0.00 0.00 55.95 56.64 1pd5 s SER 103 Cb 0.06 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 1pd5 s SER 103 CO 0.15 -0.43 -0.01 -0.44 0.41 0.00 0.00 173.24 172.92 1pd5 s SER 104 N -2.67 4.55 -0.05 2.44 0.01 0.28 -0.21 113.70 118.04 1pd5 s SER 104 Ca 0.06 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1pd5 s SER 104 Cb 0.02 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1pd5 s SER 104 CO -0.04 -0.07 -0.11 -0.76 0.41 0.00 0.00 173.24 172.66 1pd5 s LEU 105 N 1.47 2.92 0.29 2.44 1.02 -0.38 -4.10 118.68 122.35 1pd5 s LEU 105 Ca 0.04 -0.14 0.08 0.00 0.02 0.00 0.00 54.13 54.14 1pd5 s LEU 105 Cb -0.15 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 1pd5 s LEU 105 CO -0.02 0.34 0.13 -1.66 0.02 0.00 0.00 176.35 175.17 1pd5 s TRP 106 N -0.79 2.84 -0.16 0.29 1.48 -1.26 0.37 118.94 121.71 1pd5 s TRP 106 Ca 0.12 -0.25 -0.06 0.00 -1.06 0.00 0.00 56.10 54.85 1pd5 s TRP 106 Cb -0.11 -1.47 0.07 0.00 -1.16 0.00 0.00 33.47 30.80 1pd5 s TRP 106 CO 0.02 0.45 0.34 -1.12 -4.06 0.00 0.00 176.95 172.57 1pd5 s SER 107 N -3.82 -0.08 -0.36 -2.66 0.01 -0.89 -5.00 113.70 100.90 1pd5 s SER 107 Ca 0.35 0.77 -0.43 0.00 1.31 0.00 0.00 55.95 57.96 1pd5 s SER 107 Cb -0.05 0.90 -0.17 0.00 0.21 0.00 0.00 66.02 66.90 1pd5 s SER 107 CO 0.23 -0.22 1.70 1.21 0.41 0.00 0.00 173.24 176.57 1pd5 n GLU 108 N 5.04 0.74 -1.85 12.44 2.13 -1.26 -3.71 120.64 134.18 1pd5 n GLU 108 Ca -0.12 0.27 -0.39 0.00 0.66 0.00 0.00 57.16 57.58 1pd5 n GLU 108 Cb 0.51 -1.89 0.02 0.00 0.27 0.00 0.00 31.44 30.35 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 3.42 2.47 -0.04 4.31 5.04 -1.26 -4.89 117.35 126.40 1pd5 s TYR 109 Ca 1.01 1.33 -0.07 0.00 -2.44 0.00 0.00 57.07 56.90 1pd5 s TYR 109 Cb -1.22 -3.83 0.01 0.00 0.35 0.00 0.00 41.96 37.27 1pd5 s TYR 109 CO 0.72 -2.76 0.17 -1.58 -1.34 0.00 0.00 175.55 170.76 1pd5 s HIS 110 N -1.26 -0.11 0.14 4.97 5.65 -1.26 -5.06 115.29 118.36 1pd5 s HIS 110 Ca 0.64 0.25 -0.19 0.00 0.25 0.00 0.00 55.06 56.00 1pd5 s HIS 110 Cb -0.41 0.03 -0.00 0.00 -1.18 0.00 0.00 32.58 31.01 1pd5 s HIS 110 CO 0.52 -0.18 1.70 -0.44 -0.65 0.00 0.00 174.74 175.69 1pd5 h ASP 111 N 5.20 -0.22 -2.98 9.88 3.32 -2.00 -3.42 116.42 126.21 1pd5 h ASP 111 Ca -0.27 0.07 -0.54 0.00 0.02 0.00 0.00 57.03 56.31 1pd5 h ASP 111 Cb 1.20 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 1pd5 h ASP 111 CO 0.40 -0.08 0.77 -0.62 -1.72 0.00 0.00 179.24 177.99 1pd5 s ASP 112 N -5.21 6.90 0.12 6.45 2.15 -1.26 -4.96 116.67 120.86 1pd5 s ASP 112 Ca -0.13 2.09 -0.18 0.00 0.43 0.00 0.00 52.55 54.75 1pd5 s ASP 112 Cb 0.11 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 1pd5 s ASP 112 CO 0.69 -0.66 1.67 0.15 -0.17 0.00 0.00 175.17 176.84 1pd5 h PHE 113 N 7.53 0.45 -0.52 -5.34 3.57 -1.99 -2.79 116.94 117.84 1pd5 h PHE 113 Ca -0.38 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 1pd5 h PHE 113 Cb 1.18 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1pd5 h PHE 113 CO 0.73 0.43 0.12 0.00 -2.23 0.00 0.00 178.31 177.36 1pd5 h ARG 114 N 0.34 0.84 -0.60 1.11 3.08 -1.94 0.68 114.38 117.89 1pd5 h ARG 114 Ca 0.10 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1pd5 h ARG 114 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1pd5 h ARG 114 CO -0.01 0.81 0.39 0.37 -1.07 0.00 0.00 179.97 180.45 1pd5 h GLN 115 N 0.73 0.75 -0.39 0.04 -0.00 -1.96 -1.31 115.11 112.98 1pd5 h GLN 115 Ca 0.16 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.65 58.63 1pd5 h GLN 115 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 1pd5 h GLN 115 CO 0.00 0.50 -0.28 0.35 0.00 0.00 0.00 178.83 179.40 1pd5 h PHE 116 N 0.78 1.03 -0.99 3.99 3.57 -0.85 -0.93 116.94 123.53 1pd5 h PHE 116 Ca 0.23 -0.28 0.21 0.00 3.53 0.00 0.00 57.97 61.66 1pd5 h PHE 116 Cb -0.04 -0.23 -0.11 0.00 2.79 0.00 0.00 35.95 38.36 1pd5 h PHE 116 CO -0.04 1.08 0.59 1.25 -2.23 0.00 0.00 178.31 178.96 1pd5 h LEU 117 N 0.68 0.71 0.58 0.59 6.46 0.41 0.43 115.31 125.17 1pd5 h LEU 117 Ca 0.07 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1pd5 h LEU 117 Cb 0.86 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1pd5 h LEU 117 CO 0.08 0.19 -0.28 -0.74 -0.62 0.00 0.00 178.44 177.07 1pd5 h HIS 118 N 0.67 -0.72 -0.93 1.25 2.76 0.01 0.26 115.15 118.46 1pd5 h HIS 118 Ca 0.60 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.88 1pd5 h HIS 118 Cb 1.03 0.24 -0.14 0.00 1.55 0.00 0.00 27.41 30.09 1pd5 h HIS 118 CO -0.01 -0.45 -0.42 -0.89 -1.30 0.00 0.00 177.93 174.86 1pd5 n ILE 119 N -4.96 -0.53 -0.01 6.26 5.41 -0.76 -0.66 119.36 124.10 1pd5 n ILE 119 Ca -0.10 2.19 0.04 0.00 1.00 0.00 0.00 62.75 65.88 1pd5 n ILE 119 Cb 0.31 -2.84 0.41 0.00 -0.71 0.00 0.00 39.64 36.80 1pd5 n ILE 119 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1pd5 h TYR 120 N 0.00 0.53 -0.76 1.39 3.20 0.07 -2.19 116.97 119.21 1pd5 h TYR 120 Ca 0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1pd5 h TYR 120 Cb 0.50 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1pd5 h TYR 120 CO -0.85 0.35 0.45 0.77 -1.64 0.00 0.00 178.16 177.23 1pd5 h SER 121 N 0.56 0.92 -0.61 -2.11 0.02 0.19 -0.92 113.55 111.60 1pd5 h SER 121 Ca 0.15 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1pd5 h SER 121 Cb -0.03 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1pd5 h SER 121 CO -0.03 0.73 0.24 1.56 -1.14 0.00 0.00 176.83 178.19 1pd5 h GLN 122 N 1.04 0.91 -0.15 3.45 4.20 -1.05 0.37 115.11 123.88 1pd5 h GLN 122 Ca 0.27 -0.17 -0.18 0.00 0.06 0.00 0.00 58.65 58.63 1pd5 h GLN 122 Cb -0.02 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.63 1pd5 h GLN 122 CO -0.05 0.78 -0.60 -0.44 -0.67 0.00 0.00 178.83 177.85 1pd5 h ASP 123 N 0.84 0.79 -0.73 1.46 3.32 -1.20 0.24 116.42 121.15 1pd5 h ASP 123 Ca 0.20 -0.62 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 1pd5 h ASP 123 Cb 0.21 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1pd5 h ASP 123 CO -0.02 1.28 0.25 0.58 -1.72 0.00 0.00 179.24 179.61 1pd5 h VAL 124 N 0.36 1.26 -0.67 -1.35 2.07 -1.03 0.34 116.25 117.23 1pd5 h VAL 124 Ca -0.03 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1pd5 h VAL 124 Cb 1.23 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1pd5 h VAL 124 CO 0.13 0.34 0.34 0.00 0.02 0.00 0.00 177.57 178.40 1pd5 h ALA 125 N 1.18 0.86 -0.24 1.67 0.00 0.19 0.41 119.26 123.33 1pd5 h ALA 125 Ca 0.24 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1pd5 h ALA 125 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pd5 h ALA 125 CO -0.01 0.41 -0.46 0.00 0.00 0.00 0.00 179.25 179.19 1pd5 n TYR 127 N -4.00 0.00 -0.31 0.00 4.01 0.12 -4.75 117.16 112.22 1pd5 n TYR 127 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 1pd5 n TYR 127 Cb 0.56 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.81 1pd5 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pd5 n GLY 128 N 0.65 -1.30 0.06 2.72 0.00 0.13 -0.27 105.19 107.18 1pd5 n GLY 128 Ca 0.02 0.90 0.12 0.00 0.00 0.00 0.00 46.02 47.05 1pd5 n GLY 128 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pd5 n GLU 129 N -5.35 0.33 -1.96 1.61 4.07 -1.26 -4.88 120.64 113.20 1pd5 n GLU 129 Ca 0.19 0.05 -0.42 0.00 -0.06 0.00 0.00 57.16 56.92 1pd5 n GLU 129 Cb 0.62 -1.66 -0.03 0.00 -0.06 0.00 0.00 31.44 30.30 1pd5 n GLU 129 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1pd5 s ASN 130 N -4.25 6.43 0.00 4.31 3.84 0.63 -4.89 114.94 121.02 1pd5 s ASN 130 Ca 0.04 2.06 0.23 0.00 0.21 0.00 0.00 52.86 55.40 1pd5 s ASN 130 Cb 0.13 -2.53 1.32 0.00 -0.55 0.00 0.00 41.25 39.62 1pd5 s ASN 130 CO 0.76 -1.15 1.85 0.18 -2.79 0.00 0.00 177.10 175.96 1pd5 n LEU 131 N 8.04 0.11 -4.66 3.21 4.77 -1.26 -4.78 117.00 122.43 1pd5 n LEU 131 Ca 0.19 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 1pd5 n LEU 131 Cb 0.44 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1pd5 n LEU 131 CO 0.64 0.02 0.74 0.00 -1.33 0.00 0.00 177.39 177.47 1pd5 n ALA 132 N -0.77 0.79 -0.19 -1.18 0.00 -1.26 -4.89 120.51 113.00 1pd5 n ALA 132 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1pd5 n ALA 132 Cb 0.10 -2.20 0.10 0.00 0.00 0.00 0.00 19.45 17.45 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 1.47 0.25 -2.35 0.00 3.20 -1.88 -3.20 116.97 114.47 1pd5 h TYR 133 Ca -0.48 0.03 -0.61 0.00 3.14 0.00 0.00 58.73 60.82 1pd5 h TYR 133 Cb 1.32 -0.02 -0.42 0.00 1.54 0.00 0.00 36.73 39.15 1pd5 h TYR 133 CO 0.44 0.01 -0.57 1.19 -1.64 0.00 0.00 178.16 177.59 1pd5 n PHE 134 N -5.09 3.59 -0.35 -3.82 3.01 -1.26 0.99 117.46 114.53 1pd5 n PHE 134 Ca 0.08 -4.17 0.29 0.00 1.01 0.00 0.00 57.45 54.66 1pd5 n PHE 134 Cb 0.30 -0.58 0.54 0.00 -0.01 0.00 0.00 39.48 39.73 1pd5 n PHE 134 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1pd5 h PRO 135 N 4.39 0.19 -0.28 -1.08 0.11 -1.70 -0.93 132.00 132.69 1pd5 h PRO 135 Ca 0.19 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 1pd5 h PRO 135 Cb 0.67 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 1pd5 h PRO 135 CO 0.83 0.13 -0.02 0.36 -0.21 0.00 0.00 178.00 179.08 1pd5 n LYS 136 N -5.01 2.40 -0.18 1.05 2.85 -1.26 -5.01 118.16 113.01 1pd5 n LYS 136 Ca 0.34 -2.95 0.02 0.00 -1.05 0.00 0.00 58.31 54.68 1pd5 n LYS 136 Cb 1.15 -1.81 -0.01 0.00 -0.65 0.00 0.00 35.03 33.71 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 -0.81 -2.10 3.18 2.58 0.00 -0.36 -4.93 105.19 102.76 1pd5 n GLY 137 Ca 0.26 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.80 2.17 0.39 1.61 -0.00 -1.26 -4.83 117.98 115.26 1pd5 s PHE 138 Ca 0.00 -0.79 0.08 0.00 -0.00 0.00 0.00 56.93 56.22 1pd5 s PHE 138 Cb 0.00 -1.46 -0.02 0.00 -0.00 0.00 0.00 43.02 41.53 1pd5 s PHE 138 CO 0.00 -0.31 0.34 0.96 -0.00 0.00 0.00 175.22 176.22 1pd5 s ILE 139 N 0.25 2.90 -0.24 -4.49 -4.36 -1.26 -5.06 121.20 108.94 1pd5 s ILE 139 Ca -0.12 -1.37 0.20 0.00 -0.26 0.00 0.00 60.65 59.10 1pd5 s ILE 139 Cb -0.16 -3.05 0.05 0.00 1.25 0.00 0.00 42.46 40.55 1pd5 s ILE 139 CO 0.06 -0.05 1.16 -0.33 0.24 0.00 0.00 174.94 176.01 1pd5 h GLU 140 N 1.11 0.00 -2.61 0.37 5.08 -2.01 -3.36 114.58 113.16 1pd5 h GLU 140 Ca -0.42 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.16 1pd5 h GLU 140 Cb 1.26 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.21 1pd5 h GLU 140 CO 0.58 0.12 0.62 0.27 -1.00 0.00 0.00 179.01 179.61 1pd5 n ASN 141 N -2.88 6.30 -4.49 1.42 6.94 -1.26 -5.03 115.26 116.26 1pd5 n ASN 141 Ca -0.01 -3.51 -0.29 0.00 -0.02 0.00 0.00 54.58 50.74 1pd5 n ASN 141 Cb 0.63 -1.13 -0.11 0.00 -2.36 0.00 0.00 39.78 36.80 1pd5 n ASN 141 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1pd5 s MET 142 N -3.25 1.81 0.36 -3.83 -1.94 -1.26 -1.41 119.30 109.79 1pd5 s MET 142 Ca 0.35 -1.16 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1pd5 s MET 142 Cb 0.11 -2.13 -0.06 0.00 2.01 0.00 0.00 34.83 34.77 1pd5 s MET 142 CO 0.02 0.49 0.04 -0.59 -0.01 0.00 0.00 175.02 174.96 1pd5 s PHE 143 N -1.13 2.55 0.12 -0.03 -0.12 -1.10 -4.73 117.98 113.53 1pd5 s PHE 143 Ca 0.18 -0.49 0.07 0.00 -0.05 0.00 0.00 56.93 56.64 1pd5 s PHE 143 Cb -0.11 -1.60 -0.04 0.00 -0.63 0.00 0.00 43.02 40.65 1pd5 s PHE 143 CO 0.10 0.43 -0.07 -0.06 -0.05 0.00 0.00 175.22 175.57 1pd5 s PHE 144 N -2.55 2.79 -0.15 3.49 0.40 0.59 -0.98 117.98 121.56 1pd5 s PHE 144 Ca 0.36 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1pd5 s PHE 144 Cb 0.02 -1.43 0.07 0.00 0.51 0.00 0.00 43.02 42.19 1pd5 s PHE 144 CO 0.20 0.45 0.24 0.08 0.70 0.00 0.00 175.22 176.89 1pd5 s VAL 145 N -1.32 -0.37 -0.14 -0.44 1.01 -0.49 -0.51 120.40 118.14 1pd5 s VAL 145 Ca 0.23 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1pd5 s VAL 145 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1pd5 s VAL 145 CO 0.15 0.01 -0.06 -0.44 0.00 0.00 0.00 175.10 174.76 1pd5 s SER 146 N 2.38 4.63 0.21 3.32 0.01 -0.06 -2.45 113.70 121.73 1pd5 s SER 146 Ca 0.04 -0.16 -0.21 0.00 1.31 0.00 0.00 55.95 56.93 1pd5 s SER 146 Cb -0.13 -1.69 -0.08 0.00 0.21 0.00 0.00 66.02 64.32 1pd5 s SER 146 CO -0.10 0.19 0.74 0.00 0.41 0.00 0.00 173.24 174.48 1pd5 s ALA 147 N 0.24 3.42 -0.41 1.44 0.00 -1.26 -0.58 121.76 124.61 1pd5 s ALA 147 Ca -0.04 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1pd5 s ALA 147 Cb -0.14 -2.86 0.24 0.00 0.00 0.00 0.00 23.12 20.36 1pd5 s ALA 147 CO 0.03 0.32 0.57 -1.71 0.00 0.00 0.00 175.76 174.97 1pd5 n ASN 148 N 0.92 -0.43 0.10 0.00 5.15 0.66 -4.87 115.26 116.78 1pd5 n ASN 148 Ca -0.03 -2.77 0.12 0.00 -0.60 0.00 0.00 54.58 51.30 1pd5 n ASN 148 Cb 0.51 -0.20 0.46 0.00 -0.53 0.00 0.00 39.78 40.01 1pd5 n ASN 148 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1pd5 n PRO 149 N 1.59 0.18 0.15 1.20 -0.02 -1.26 -3.26 135.00 133.58 1pd5 n PRO 149 Ca 0.20 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1pd5 n PRO 149 Cb 0.54 -1.79 0.07 0.00 -0.02 0.00 0.00 33.50 32.31 1pd5 n PRO 149 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1pd5 h TRP 150 N 0.00 0.00 -4.19 6.00 6.55 -1.93 -3.40 115.95 118.98 1pd5 h TRP 150 Ca 0.00 0.00 -0.48 0.00 0.95 0.00 0.00 58.89 59.36 1pd5 h TRP 150 Cb 0.46 0.00 -0.29 0.00 -0.86 0.00 0.00 29.16 28.47 1pd5 h TRP 150 CO 0.00 0.09 -0.81 0.08 -1.05 0.00 0.00 178.44 176.75 1pd5 s VAL 151 N -3.22 1.09 -1.14 1.49 1.01 -1.22 -4.91 120.40 113.49 1pd5 s VAL 151 Ca 0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1pd5 s VAL 151 Cb 0.07 -0.91 0.26 0.00 0.00 0.00 0.00 36.38 35.81 1pd5 s VAL 151 CO 0.73 0.30 1.43 -1.20 0.00 0.00 0.00 175.10 176.36 1pd5 n SER 152 N 2.72 5.82 -4.83 3.32 7.64 -1.26 -0.51 113.62 126.52 1pd5 n SER 152 Ca -0.14 -3.20 -0.36 0.00 1.01 0.00 0.00 58.87 56.17 1pd5 n SER 152 Cb 0.55 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.32 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 -1.37 3.65 -0.94 1.43 -0.12 -1.26 -4.94 117.98 114.42 1pd5 s PHE 153 Ca 0.34 1.16 0.28 0.00 -0.05 0.00 0.00 56.93 58.66 1pd5 s PHE 153 Cb 0.00 -2.44 1.12 0.00 -0.63 0.00 0.00 43.02 41.08 1pd5 s PHE 153 CO 0.02 0.44 1.88 2.41 -0.05 0.00 0.00 175.22 179.92 1pd5 n THR 154 N 0.97 0.12 -3.67 -4.49 -1.04 -1.26 -4.55 114.28 100.36 1pd5 n THR 154 Ca -0.06 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.79 1pd5 n THR 154 Cb 0.51 -0.49 -0.09 0.00 -1.82 0.00 0.00 70.33 68.45 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 -3.32 -0.72 -0.05 8.00 0.15 -1.26 -4.88 113.70 111.62 1pd5 s SER 155 Ca 0.13 1.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.99 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 0.55 -0.21 0.05 0.12 1.20 0.00 0.00 173.24 174.95 1pd5 s PHE 156 N 1.14 0.16 -0.05 3.44 5.36 -1.26 -5.13 117.98 121.64 1pd5 s PHE 156 Ca -0.07 0.16 -0.11 0.00 -0.96 0.00 0.00 56.93 55.95 1pd5 s PHE 156 Cb -0.06 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.10 1pd5 s PHE 156 CO -0.11 -0.23 0.26 0.16 -1.46 0.00 0.00 175.22 173.84 1pd5 s ASP 157 N 2.14 -0.19 -0.15 6.13 1.47 -1.26 -4.77 116.67 120.04 1pd5 s ASP 157 Ca 0.05 0.24 -0.19 0.00 1.18 0.00 0.00 52.55 53.82 1pd5 s ASP 157 Cb -0.12 0.41 -0.04 0.00 -0.34 0.00 0.00 42.92 42.83 1pd5 s ASP 157 CO -0.04 -0.28 0.53 -0.76 0.68 0.00 0.00 175.17 175.30 1pd5 s LEU 158 N -0.69 4.22 -0.64 2.11 1.43 -1.26 -5.01 118.68 118.83 1pd5 s LEU 158 Ca -0.08 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1pd5 s LEU 158 Cb -0.04 -2.75 0.17 0.00 0.03 0.00 0.00 46.19 43.59 1pd5 s LEU 158 CO 0.02 -0.11 0.46 0.21 0.23 0.00 0.00 176.35 177.16 1pd5 s ASN 159 N 0.90 5.23 0.17 2.29 3.04 -1.26 -4.94 114.94 120.37 1pd5 s ASN 159 Ca 0.27 -2.95 -0.32 0.00 0.04 0.00 0.00 52.86 49.90 1pd5 s ASN 159 Cb -0.16 -1.85 -0.11 0.00 -1.54 0.00 0.00 41.25 37.60 1pd5 s ASN 159 CO 0.11 -0.34 1.67 -0.69 -3.04 0.00 0.00 177.10 174.80 1pd5 s VAL 160 N -0.20 2.37 0.22 -5.21 1.01 -1.26 -4.98 120.40 112.35 1pd5 s VAL 160 Ca 0.18 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1pd5 s VAL 160 Cb -0.19 -3.14 0.19 0.00 0.00 0.00 0.00 36.38 33.24 1pd5 s VAL 160 CO -0.04 0.01 1.87 0.00 0.00 0.00 0.00 175.10 176.94 1pd5 h ALA 161 N 7.05 1.09 -3.54 5.51 0.00 -2.07 -3.42 119.26 123.89 1pd5 h ALA 161 Ca -0.43 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 1pd5 h ALA 161 Cb 1.20 -0.34 -0.38 0.00 0.00 0.00 0.00 17.79 18.27 1pd5 h ALA 161 CO 0.94 0.55 -0.79 -0.80 0.00 0.00 0.00 179.25 179.15 1pd5 s ASN 162 N -6.09 3.60 0.00 0.00 -0.87 -1.26 -4.97 114.94 105.35 1pd5 s ASN 162 Ca -0.13 -1.04 0.08 0.00 -1.57 0.00 0.00 52.86 50.21 1pd5 s ASN 162 Cb 0.16 -1.16 0.08 0.00 -0.02 0.00 0.00 41.25 40.31 1pd5 s ASN 162 CO 0.81 -0.21 0.80 1.15 -2.57 0.00 0.00 177.10 177.08 1pd5 n MET 163 N 4.70 0.39 -1.08 -0.60 0.00 -1.26 -4.86 117.12 114.40 1pd5 n MET 163 Ca -0.13 -1.07 -0.52 0.00 0.00 0.00 0.00 57.70 55.98 1pd5 n MET 163 Cb 0.45 -1.16 -0.10 0.00 0.00 0.00 0.00 33.22 32.40 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 0.45 0.65 -1.88 3.17 8.00 -1.26 0.06 116.55 125.73 1pd5 n ASP 164 Ca 0.05 0.58 -0.15 0.00 0.71 0.00 0.00 54.79 55.99 1pd5 n ASP 164 Cb 0.22 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.50 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 6.52 -4.14 -4.50 -2.24 3.02 -1.26 -4.86 115.26 107.80 1pd5 n ASN 165 Ca 0.48 0.26 -0.44 0.00 -0.03 0.00 0.00 54.58 54.85 1pd5 n ASN 165 Cb -0.03 -3.66 -0.00 0.00 -0.61 0.00 0.00 39.78 35.47 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 -2.47 3.22 -2.06 3.10 5.36 0.11 -4.63 117.98 120.61 1pd5 s PHE 166 Ca 0.00 -1.86 0.16 0.00 -0.96 0.00 0.00 56.93 54.27 1pd5 s PHE 166 Cb 0.00 -4.45 0.46 0.00 -0.34 0.00 0.00 43.02 38.69 1pd5 s PHE 166 CO 0.00 -1.55 1.38 1.19 -1.46 0.00 0.00 175.22 174.78 1pd5 n PHE 167 N 6.66 0.58 -4.11 10.12 3.72 -1.26 -4.40 117.46 128.77 1pd5 n PHE 167 Ca 0.39 -0.29 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 1pd5 n PHE 167 Cb 0.45 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.42 3.08 0.39 4.37 0.00 -1.26 -4.64 121.76 122.29 1pd5 s ALA 168 Ca 0.32 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1pd5 s ALA 168 Cb 0.17 -1.77 -0.10 0.00 0.00 0.00 0.00 23.12 21.43 1pd5 s ALA 168 CO 0.23 -0.06 1.39 -2.14 0.00 0.00 0.00 175.76 175.18 1pd5 s PRO 169 N 0.84 4.01 -0.11 0.00 0.02 -1.26 -4.81 135.00 133.69 1pd5 s PRO 169 Ca 0.01 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.40 1pd5 s PRO 169 Cb -0.14 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.54 1pd5 s PRO 169 CO 0.02 -0.52 -0.17 0.08 -0.33 0.00 0.00 177.00 176.08 1pd5 s VAL 170 N -1.18 1.62 0.05 3.83 1.01 -0.74 -0.30 120.40 124.69 1pd5 s VAL 170 Ca 0.55 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1pd5 s VAL 170 Cb -0.42 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1pd5 s VAL 170 CO 0.56 0.46 -0.12 -0.36 0.00 0.00 0.00 175.10 175.64 1pd5 s PHE 171 N 0.89 2.71 -0.09 5.22 0.40 0.34 -0.50 117.98 126.96 1pd5 s PHE 171 Ca -0.08 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1pd5 s PHE 171 Cb -0.15 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1pd5 s PHE 171 CO -0.01 0.35 -0.18 0.99 0.70 0.00 0.00 175.22 177.07 1pd5 s THR 172 N -1.05 1.63 -0.16 0.64 2.01 -0.22 -0.89 115.64 117.60 1pd5 s THR 172 Ca 0.18 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1pd5 s THR 172 Cb -0.11 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1pd5 s THR 172 CO 0.09 0.47 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.43 1pd5 s MET 173 N 0.55 3.75 0.00 4.92 -1.94 0.26 -0.51 119.30 126.32 1pd5 s MET 173 Ca -0.16 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.35 1pd5 s MET 173 Cb -0.17 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1pd5 s MET 173 CO 0.05 0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.73 1pd5 n GLY 174 N 3.52 1.99 3.59 -0.03 0.00 -0.69 -0.25 105.19 113.32 1pd5 n GLY 174 Ca -0.17 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 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 1.12 3.90 0.79 1.61 2.20 0.33 -4.66 119.74 125.03 1pd5 s LYS 175 Ca 0.00 -0.14 -0.11 0.00 -0.36 0.00 0.00 55.97 55.36 1pd5 s LYS 175 Cb 0.00 -3.69 0.07 0.00 -1.51 0.00 0.00 37.83 32.70 1pd5 s LYS 175 CO 0.00 -0.31 1.09 1.52 -0.36 0.00 0.00 175.35 177.29 1pd5 s TYR 176 N 1.99 2.54 -0.06 4.03 -0.85 -1.26 -4.15 117.35 119.59 1pd5 s TYR 176 Ca 0.12 1.53 -0.30 0.00 -0.52 0.00 0.00 57.07 57.91 1pd5 s TYR 176 Cb -0.16 -3.06 0.09 0.00 0.38 0.00 0.00 41.96 39.20 1pd5 s TYR 176 CO 0.11 -1.87 0.76 1.52 -1.52 0.00 0.00 175.55 174.55 1pd5 s TYR 177 N -2.90 -0.56 0.32 -3.49 -0.85 -0.45 -4.99 117.35 104.42 1pd5 s TYR 177 Ca 0.61 0.91 -0.24 0.00 -0.52 0.00 0.00 57.07 57.83 1pd5 s TYR 177 Cb -0.17 0.44 -0.10 0.00 0.38 0.00 0.00 41.96 42.51 1pd5 s TYR 177 CO 0.56 -0.55 0.90 0.99 -1.52 0.00 0.00 175.55 175.93 1pd5 s THR 178 N -1.42 4.30 -0.27 -3.49 2.01 -1.26 -0.27 115.64 115.24 1pd5 s THR 178 Ca -0.07 1.68 -0.15 0.00 0.31 0.00 0.00 61.69 63.46 1pd5 s THR 178 Cb -0.00 -3.93 0.08 0.00 0.01 0.00 0.00 72.50 68.66 1pd5 s THR 178 CO 0.05 0.09 0.66 -1.58 -0.69 0.00 0.00 174.62 173.16 1pd5 s GLN 179 N -2.19 0.67 0.00 4.92 0.74 -0.06 -4.90 119.66 118.84 1pd5 s GLN 179 Ca 0.50 1.21 0.00 0.00 0.05 0.00 0.00 55.36 57.13 1pd5 s GLN 179 Cb -0.17 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.14 1pd5 s GLN 179 CO 0.22 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.21 1pd5 n GLY 180 N 4.44 1.67 0.98 2.59 0.00 -1.26 0.08 105.19 113.70 1pd5 n GLY 180 Ca -0.19 0.40 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 2.60 3.07 -4.93 1.61 8.00 -1.26 -4.94 116.55 120.71 1pd5 n ASP 181 Ca 0.00 -1.97 -0.28 0.00 0.71 0.00 0.00 54.79 53.25 1pd5 n ASP 181 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1pd5 n ASP 181 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pd5 s LYS 182 N -1.80 3.47 -0.29 -1.24 1.02 0.11 -5.04 119.74 115.98 1pd5 s LYS 182 Ca 0.30 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.86 1pd5 s LYS 182 Cb 0.20 -2.95 0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1pd5 s LYS 182 CO 0.30 0.51 -0.05 0.08 -0.92 0.00 0.00 175.35 175.27 1pd5 s VAL 183 N -1.71 2.26 0.08 3.17 1.01 -1.26 -0.88 120.40 123.07 1pd5 s VAL 183 Ca 0.36 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.43 1pd5 s VAL 183 Cb -0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1pd5 s VAL 183 CO 0.28 -0.22 0.32 -0.76 0.00 0.00 0.00 175.10 174.72 1pd5 s LEU 184 N 1.04 4.32 -0.08 3.92 1.43 0.63 -0.21 118.68 129.73 1pd5 s LEU 184 Ca -0.02 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1pd5 s LEU 184 Cb -0.20 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1pd5 s LEU 184 CO -0.06 0.15 -0.06 -0.32 0.23 0.00 0.00 176.35 176.29 1pd5 s MET 185 N -2.27 1.24 -0.00 1.70 1.75 0.25 -1.34 119.30 120.63 1pd5 s MET 185 Ca 0.35 -0.18 -0.36 0.00 -1.25 0.00 0.00 55.69 54.25 1pd5 s MET 185 Cb -0.13 -1.29 -0.14 0.00 2.84 0.00 0.00 34.83 36.11 1pd5 s MET 185 CO 0.22 -0.19 1.64 -2.30 -0.65 0.00 0.00 175.02 173.74 1pd5 n PRO 186 N 4.61 1.77 -4.10 4.11 -0.02 -1.26 -1.75 135.00 138.35 1pd5 n PRO 186 Ca -0.16 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 1pd5 n PRO 186 Cb 0.50 -2.39 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 1pd5 n PRO 186 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1pd5 s LEU 187 N 2.15 1.34 0.21 2.45 2.96 -0.64 -1.70 118.68 125.44 1pd5 s LEU 187 Ca 0.87 -0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.77 1pd5 s LEU 187 Cb -0.81 -0.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 1pd5 s LEU 187 CO 0.48 -0.06 -0.16 0.00 -1.32 0.00 0.00 176.35 175.30 1pd5 s ALA 188 N 0.86 2.08 -0.08 5.97 0.00 0.34 -1.10 121.76 129.83 1pd5 s ALA 188 Ca -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.17 1pd5 s ALA 188 Cb -0.14 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1pd5 s ALA 188 CO -0.00 0.11 0.15 -1.50 0.00 0.00 0.00 175.76 174.52 1pd5 s ILE 189 N -2.78 -0.18 0.03 0.00 1.10 -0.60 -1.06 121.20 117.71 1pd5 s ILE 189 Ca 0.22 0.29 0.05 0.00 -0.51 0.00 0.00 60.65 60.70 1pd5 s ILE 189 Cb -0.02 -0.27 -0.03 0.00 0.15 0.00 0.00 42.46 42.29 1pd5 s ILE 189 CO 0.08 0.12 -0.09 0.00 -2.11 0.00 0.00 174.94 172.93 1pd5 s GLN 190 N 1.88 2.39 0.19 3.50 1.03 0.35 -2.21 119.66 126.78 1pd5 s GLN 190 Ca -0.01 -0.82 -0.05 0.00 0.04 0.00 0.00 55.36 54.51 1pd5 s GLN 190 Cb -0.12 -2.41 -0.03 0.00 0.03 0.00 0.00 33.01 30.49 1pd5 s GLN 190 CO -0.06 0.57 0.21 0.14 -2.54 0.00 0.00 175.29 173.62 1pd5 s VAL 191 N -1.02 0.04 -0.13 3.63 -7.23 -0.14 -1.79 120.40 113.76 1pd5 s VAL 191 Ca 0.17 -1.73 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1pd5 s VAL 191 Cb -0.11 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1pd5 s VAL 191 CO 0.08 -0.17 0.45 -2.28 -0.31 0.00 0.00 175.10 172.87 1pd5 s HIS 192 N -4.06 3.49 -0.08 2.82 2.46 -1.26 -0.61 115.29 118.05 1pd5 s HIS 192 Ca 0.28 0.83 0.28 0.00 0.47 0.00 0.00 55.06 56.92 1pd5 s HIS 192 Cb 0.05 -2.53 1.38 0.00 -0.13 0.00 0.00 32.58 31.35 1pd5 s HIS 192 CO 0.06 0.16 1.86 1.25 -2.47 0.00 0.00 174.74 175.61 1pd5 h HIS 193 N 6.77 0.00 -0.23 3.88 2.76 -1.15 -1.63 115.15 125.54 1pd5 h HIS 193 Ca -0.41 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.66 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 0.62 0.00 -0.31 0.00 -1.30 0.00 0.00 177.93 176.94 1pd5 h ALA 194 N 2.08 1.03 0.00 5.26 0.00 -1.77 -3.29 119.26 122.58 1pd5 h ALA 194 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pd5 h ALA 194 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pd5 h ALA 194 CO 0.00 0.59 -0.72 1.33 0.00 0.00 0.00 179.25 180.45 1pd5 n VAL 195 N -4.08 0.00 -3.98 0.00 0.24 -1.05 -4.37 118.33 105.09 1pd5 n VAL 195 Ca -0.01 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 61.88 1pd5 n VAL 195 Cb 0.45 0.83 -0.16 0.00 -1.47 0.00 0.00 33.84 33.49 1pd5 n VAL 195 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pd5 s ASP 197 N 0.64 5.15 0.34 0.00 -0.00 -1.26 -3.93 116.67 117.60 1pd5 s ASP 197 Ca -0.06 -0.73 0.04 0.00 -0.00 0.00 0.00 52.55 51.79 1pd5 s ASP 197 Cb -0.10 -0.42 0.60 0.00 -0.00 0.00 0.00 42.92 43.01 1pd5 s ASP 197 CO -0.01 -0.78 1.89 1.23 -0.00 0.00 0.00 175.17 177.50 1pd5 h GLY 198 N 0.84 0.61 0.68 0.21 0.00 -1.99 -1.59 103.07 101.83 1pd5 h GLY 198 Ca -0.40 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 46.64 1pd5 h GLY 198 CO 0.53 0.32 0.15 -2.75 0.00 0.00 0.00 176.54 174.79 1pd5 h PHE 199 N 0.55 0.26 -0.62 5.60 3.04 -1.97 0.19 116.94 123.99 1pd5 h PHE 199 Ca 0.12 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.01 1pd5 h PHE 199 Cb 0.28 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1pd5 h PHE 199 CO 0.01 0.11 0.08 0.45 -2.02 0.00 0.00 178.31 176.94 1pd5 h HIS 200 N 0.31 1.12 -0.31 0.41 -0.00 -1.69 0.32 115.15 115.31 1pd5 h HIS 200 Ca 0.18 -0.17 -0.15 0.00 -0.00 0.00 0.00 60.37 60.23 1pd5 h HIS 200 Cb 0.14 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1pd5 h HIS 200 CO -0.14 0.96 -0.43 0.28 -0.00 0.00 0.00 177.93 178.61 1pd5 h VAL 201 N 0.96 1.29 -0.31 2.45 2.07 -1.22 -1.49 116.25 119.99 1pd5 h VAL 201 Ca 0.19 -1.61 -0.11 0.00 0.82 0.00 0.00 66.70 65.98 1pd5 h VAL 201 Cb 0.47 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1pd5 h VAL 201 CO 0.02 0.52 -0.25 1.23 0.02 0.00 0.00 177.57 179.11 1pd5 h GLY 202 N 0.89 0.79 0.97 2.17 0.00 0.27 -1.19 103.07 106.97 1pd5 h GLY 202 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.62 1pd5 h GLY 202 CO 0.09 0.70 0.47 -0.09 0.00 0.00 0.00 176.54 177.71 1pd5 h ARG 203 N 0.48 0.93 -0.88 4.80 2.43 -0.34 -1.85 114.38 119.94 1pd5 h ARG 203 Ca 0.06 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1pd5 h ARG 203 Cb 0.81 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1pd5 h ARG 203 CO 0.07 0.61 0.58 1.98 -1.51 0.00 0.00 179.97 181.70 1pd5 h MET 204 N 0.95 1.17 -0.10 0.20 4.05 -0.94 0.41 114.93 120.67 1pd5 h MET 204 Ca 0.27 -0.07 -0.22 0.00 -0.28 0.00 0.00 59.70 59.39 1pd5 h MET 204 Cb -0.08 -0.26 0.01 0.00 -0.80 0.00 0.00 31.60 30.47 1pd5 h MET 204 CO -0.07 0.78 -0.81 -0.07 0.23 0.00 0.00 176.91 176.97 1pd5 h LEU 205 N 1.20 0.88 -0.77 3.39 3.38 -1.00 -0.79 115.31 121.61 1pd5 h LEU 205 Ca 0.32 -0.67 0.09 0.00 0.09 0.00 0.00 57.88 57.71 1pd5 h LEU 205 Cb -0.13 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.29 1pd5 h LEU 205 CO -0.07 1.41 0.43 0.78 0.09 0.00 0.00 178.44 181.08 1pd5 h ASN 206 N 0.42 0.61 0.49 -0.43 2.35 -1.20 -1.79 115.58 116.02 1pd5 h ASN 206 Ca -0.07 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1pd5 h ASN 206 Cb 1.45 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.74 1pd5 h ASN 206 CO 0.16 0.36 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.83 1pd5 h GLU 207 N 0.74 0.00 -0.01 0.81 5.08 0.67 -1.97 114.58 119.89 1pd5 h GLU 207 Ca 0.37 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1pd5 h GLU 207 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1pd5 h GLU 207 CO -0.24 0.14 -0.84 1.25 -1.00 0.00 0.00 179.01 178.32 1pd5 h LEU 208 N 0.00 0.34 0.04 1.33 5.85 -0.38 0.11 115.31 122.59 1pd5 h LEU 208 Ca -0.00 -0.26 -0.24 0.00 0.84 0.00 0.00 57.88 58.22 1pd5 h LEU 208 Cb 0.42 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.37 1pd5 h LEU 208 CO 0.02 1.04 -0.96 -0.61 -0.34 0.00 0.00 178.44 177.58 1pd5 h GLN 209 N 0.16 0.59 -0.64 1.25 5.75 -0.59 -1.88 115.11 119.75 1pd5 h GLN 209 Ca -0.05 -0.68 0.03 0.00 -0.15 0.00 0.00 58.65 57.80 1pd5 h GLN 209 Cb 1.45 0.21 -0.04 0.00 1.07 0.00 0.00 27.48 30.17 1pd5 h GLN 209 CO 0.13 1.28 0.39 0.37 -2.65 0.00 0.00 178.83 178.36 1pd5 h GLN 210 N 0.20 0.76 0.00 1.69 4.15 -1.51 -1.07 115.11 119.32 1pd5 h GLN 210 Ca -0.13 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 1pd5 h GLN 210 Cb 1.65 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.16 1pd5 h GLN 210 CO 0.19 0.50 -0.33 1.88 -1.93 0.00 0.00 178.83 179.14 1pd5 h TYR 211 N 0.78 0.00 0.04 3.99 0.99 -0.59 -1.27 116.97 120.90 1pd5 h TYR 211 Ca 0.25 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 1pd5 h TYR 211 Cb 0.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.74 1pd5 h TYR 211 CO -0.05 0.33 -0.02 0.00 -0.00 0.00 0.00 178.16 178.42 1pd5 h ASP 213 N -0.86 0.75 0.32 0.00 3.32 -1.15 -3.01 116.42 115.79 1pd5 h ASP 213 Ca -0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pd5 h ASP 213 Cb 0.70 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pd5 h ASP 213 CO 0.01 0.26 -0.50 -0.62 -1.72 0.00 0.00 179.24 176.67 1pd5 n GLU 214 N -4.75 0.33 -1.91 3.56 1.02 -0.49 -4.86 120.64 113.55 1pd5 n GLU 214 Ca 0.23 -0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 1pd5 n GLU 214 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.49 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 -2.82 2.09 -1.60 -0.32 -0.00 -0.91 -4.85 118.94 110.54 1pd5 s TRP 215 Ca 0.15 0.15 0.27 0.00 -0.00 0.00 0.00 56.10 56.67 1pd5 s TRP 215 Cb 0.18 -3.99 0.79 0.00 -0.00 0.00 0.00 33.47 30.44 1pd5 s TRP 215 CO 0.66 -4.14 1.59 1.04 -0.00 0.00 0.00 176.95 176.10 1pd5 n GLN 216 N 6.41 0.66 -0.46 5.86 6.02 -1.26 -4.89 117.38 129.72 1pd5 n GLN 216 Ca 0.17 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1pd5 n GLN 216 Cb 0.41 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1pd5 n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46