#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa0 h LEU 2 N 0.00 0.00 0.76 1.04 3.38 -1.55 -2.47 115.31 116.48 1pa0 h LEU 2 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pa0 h LEU 2 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pa0 h LEU 2 CO 0.00 0.00 -0.37 2.19 0.09 0.00 0.00 178.44 180.35 1pa0 h PHE 3 N 0.00 -0.95 -0.71 1.13 -5.15 -1.94 -2.17 116.94 107.16 1pa0 h PHE 3 Ca 0.05 -0.02 -0.04 0.00 -0.20 0.00 0.00 57.97 57.76 1pa0 h PHE 3 Cb 0.26 0.31 -0.03 0.00 0.22 0.00 0.00 35.95 36.71 1pa0 h PHE 3 CO 0.00 -0.58 0.30 0.93 -2.00 0.00 0.00 178.31 176.96 1pa0 h GLU 4 N -1.06 1.03 0.73 6.09 3.07 -1.84 -2.68 114.58 119.92 1pa0 h GLU 4 Ca -0.10 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.56 1pa0 h GLU 4 Cb 0.79 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1pa0 h GLU 4 CO 0.17 0.83 -0.48 1.25 -1.40 0.00 0.00 179.01 179.38 1pa0 h LEU 5 N 1.02 -1.24 -1.11 1.33 5.85 -1.40 0.11 115.31 119.86 1pa0 h LEU 5 Ca 0.24 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.13 1pa0 h LEU 5 Cb 0.17 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1pa0 h LEU 5 CO -0.02 -0.72 0.61 1.23 -0.34 0.00 0.00 178.44 179.19 1pa0 h GLY 6 N -1.15 1.43 0.86 3.75 0.00 -1.39 -0.13 103.07 106.44 1pa0 h GLY 6 Ca -0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1pa0 h GLY 6 CO 0.07 0.23 0.05 1.70 0.00 0.00 0.00 176.54 178.59 1pa0 h LYS 7 N 0.99 0.20 -0.62 4.80 3.64 -1.20 -1.16 116.57 123.22 1pa0 h LYS 7 Ca 0.44 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 1pa0 h LYS 7 Cb 0.36 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1pa0 h LYS 7 CO -0.19 0.32 0.32 0.52 -2.27 0.00 0.00 179.45 178.14 1pa0 h MET 8 N 0.04 0.57 -0.02 1.90 2.86 0.22 -0.17 114.93 120.33 1pa0 h MET 8 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1pa0 h MET 8 Cb 0.20 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1pa0 h MET 8 CO -0.00 0.38 0.02 0.82 1.06 0.00 0.00 176.91 179.18 1pa0 h ILE 9 N 0.58 1.03 -0.92 -1.22 2.04 -0.85 -1.01 117.51 117.16 1pa0 h ILE 9 Ca 0.29 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.10 1pa0 h ILE 9 Cb 0.22 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1pa0 h ILE 9 CO -0.20 0.02 0.61 0.25 0.00 0.00 0.00 178.15 178.83 1pa0 h LEU 10 N 0.01 1.03 -0.57 1.44 7.12 -0.75 -0.00 115.31 123.58 1pa0 h LEU 10 Ca 0.01 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 57.87 1pa0 h LEU 10 Cb 0.02 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.89 1pa0 h LEU 10 CO -0.00 0.73 -0.27 1.56 -0.13 0.00 0.00 178.44 180.33 1pa0 h GLN 11 N 1.21 0.86 0.09 1.25 4.20 -0.74 0.38 115.11 122.35 1pa0 h GLN 11 Ca 0.35 -0.38 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 1pa0 h GLN 11 Cb -0.06 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.70 1pa0 h GLN 11 CO -0.09 1.02 -0.71 0.93 -0.67 0.00 0.00 178.83 179.31 1pa0 h GLU 12 N 0.73 0.19 0.00 1.46 4.39 -0.90 -3.39 114.58 117.06 1pa0 h GLU 12 Ca 0.09 -0.32 -0.30 0.00 0.34 0.00 0.00 59.36 59.16 1pa0 h GLU 12 Cb 0.81 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 1pa0 h GLU 12 CO 0.07 1.16 -1.81 0.25 -1.16 0.00 0.00 179.01 177.51 1pa0 n THR 13 N -4.25 1.56 -0.95 1.13 -2.24 -0.04 -4.81 114.28 104.68 1pa0 n THR 13 Ca -0.16 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1pa0 n THR 13 Cb 0.73 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1pa0 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pa0 n GLY 15 N 1.58 0.60 3.85 3.38 0.00 0.13 -5.02 105.19 109.71 1pa0 n GLY 15 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1pa0 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pa0 s LYS 16 N -0.05 3.11 -0.13 1.61 1.02 -1.26 -5.03 119.74 119.01 1pa0 s LYS 16 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 1pa0 s LYS 16 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1pa0 s LYS 16 CO 0.00 0.52 1.67 1.21 -0.92 0.00 0.00 175.35 177.83 1pa0 s ASN 17 N -2.99 6.49 0.24 2.83 3.84 -1.26 -4.17 114.94 119.90 1pa0 s ASN 17 Ca 0.32 1.98 -0.07 0.00 0.21 0.00 0.00 52.86 55.30 1pa0 s ASN 17 Cb -0.11 -2.53 0.28 0.00 -0.55 0.00 0.00 41.25 38.34 1pa0 s ASN 17 CO 0.25 -1.11 1.87 1.55 -2.79 0.00 0.00 177.10 176.87 1pa0 h PRO 18 N 10.31 1.03 0.07 0.43 0.13 -1.93 -1.56 132.00 140.48 1pa0 h PRO 18 Ca -0.37 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pa0 h PRO 18 Cb 1.17 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1pa0 h PRO 18 CO 0.97 0.68 -0.03 0.00 -0.23 0.00 0.00 178.00 179.39 1pa0 h ALA 19 N 1.37 -0.09 -0.87 -0.56 0.00 -1.93 -1.25 119.26 115.94 1pa0 h ALA 19 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pa0 h ALA 19 Cb 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1pa0 h ALA 19 CO -0.13 -0.33 0.55 -0.22 0.00 0.00 0.00 179.25 179.11 1pa0 h LYS 20 N -0.52 1.16 0.00 0.00 3.64 -1.95 -0.96 116.57 117.94 1pa0 h LYS 20 Ca -0.01 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1pa0 h LYS 20 Cb 0.45 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1pa0 h LYS 20 CO 0.01 0.80 -1.58 0.43 -2.27 0.00 0.00 179.45 176.84 1pa0 n SER 21 N -4.44 0.41 0.00 4.20 7.64 -0.59 -4.64 113.62 116.20 1pa0 n SER 21 Ca 0.09 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1pa0 n SER 21 Cb 0.04 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1pa0 n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1pa0 n TYR 22 N -2.51 0.00 1.05 1.43 4.01 -0.49 -4.67 117.16 115.98 1pa0 n TYR 22 Ca -0.05 -0.13 0.14 0.00 -0.16 0.00 0.00 57.90 57.70 1pa0 n TYR 22 Cb 0.63 -0.01 0.54 0.00 -0.31 0.00 0.00 39.34 40.18 1pa0 n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pa0 n GLY 23 N -0.13 -1.40 2.73 2.72 0.00 -0.36 -3.23 105.19 105.52 1pa0 n GLY 23 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1pa0 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa0 n ALA 24 N -1.46 -1.83 -3.62 4.61 0.00 -1.19 -4.23 120.51 112.80 1pa0 n ALA 24 Ca 0.07 -1.15 -0.26 0.00 0.00 0.00 0.00 53.44 52.10 1pa0 n ALA 24 Cb 0.33 -1.77 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 1pa0 n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1pa0 s TYR 25 N 0.49 1.63 0.00 0.00 6.14 0.08 -2.15 117.35 123.55 1pa0 s TYR 25 Ca 0.29 -0.71 0.00 0.00 0.64 0.00 0.00 57.07 57.29 1pa0 s TYR 25 Cb 0.24 -1.22 0.00 0.00 0.42 0.00 0.00 41.96 41.39 1pa0 s TYR 25 CO -0.19 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 176.02 1pa0 n GLY 26 N 4.19 1.70 0.55 8.97 0.00 -0.50 -1.98 105.19 118.12 1pa0 n GLY 26 Ca -0.19 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.41 1pa0 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa0 n ASN 28 N 0.20 2.30 -4.53 0.00 4.13 -1.25 -2.78 115.26 113.33 1pa0 n ASN 28 Ca 0.10 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.93 1pa0 n ASN 28 Cb 0.47 0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 39.06 1pa0 n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pa0 n GLY 30 N 5.13 0.20 1.86 0.00 0.00 -1.20 -0.74 105.19 110.43 1pa0 n GLY 30 Ca 0.03 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 1pa0 n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pa0 n VAL 31 N 9.00 2.81 -2.37 1.61 0.24 -1.26 -4.67 118.33 123.68 1pa0 n VAL 31 Ca 0.00 -3.52 -0.17 0.00 -2.04 0.00 0.00 64.34 58.61 1pa0 n VAL 31 Cb 0.00 -0.92 0.03 0.00 -1.47 0.00 0.00 33.84 31.47 1pa0 n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1pa0 n LEU 32 N -0.88 3.70 0.00 1.34 4.77 -1.26 -5.12 117.00 119.56 1pa0 n LEU 32 Ca 0.46 -4.29 0.00 0.00 -0.03 0.00 0.00 56.01 52.14 1pa0 n LEU 32 Cb 0.91 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1pa0 n LEU 32 CO 0.44 1.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.91 1pa0 n GLY 33 N -0.58 -0.61 4.02 -0.72 0.00 -1.26 -4.93 105.19 101.11 1pa0 n GLY 33 Ca 0.30 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1pa0 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pa0 s ARG 34 N 0.00 2.02 0.00 1.61 0.52 -1.26 -4.38 118.95 117.46 1pa0 s ARG 34 Ca 0.00 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 1pa0 s ARG 34 Cb 0.00 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.94 1pa0 s ARG 34 CO 0.00 -1.13 0.00 0.41 0.02 0.00 0.00 175.30 174.60 1pa0 n GLY 35 N -2.49 -0.18 3.61 -3.53 0.00 -1.12 -4.65 105.19 96.84 1pa0 n GLY 35 Ca 0.16 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1pa0 n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pa0 s GLN 36 N -2.00 3.31 0.17 1.61 -0.44 0.17 -4.50 119.66 117.96 1pa0 s GLN 36 Ca 0.00 2.14 -0.33 0.00 -2.50 0.00 0.00 55.36 54.67 1pa0 s GLN 36 Cb 0.00 -4.34 -0.15 0.00 -1.64 0.00 0.00 33.01 26.88 1pa0 s GLN 36 CO 0.00 -1.91 1.27 -0.35 0.50 0.00 0.00 175.29 174.80 1pa0 n PRO 37 N 8.55 1.38 0.07 1.67 -0.04 -1.26 -4.68 135.00 140.69 1pa0 n PRO 37 Ca 0.28 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 64.20 1pa0 n PRO 37 Cb 0.44 -2.07 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 1pa0 n PRO 37 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1pa0 h LYS 38 N 3.94 0.00 0.00 0.54 1.79 -1.91 -3.48 116.57 117.46 1pa0 h LYS 38 Ca -0.45 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.19 1pa0 h LYS 38 Cb 1.32 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1pa0 h LYS 38 CO 0.74 0.69 0.55 -0.40 -1.08 0.00 0.00 179.45 179.95 1pa0 n ASP 39 N -3.22 -1.39 -0.18 0.86 5.75 -1.26 -5.00 116.55 112.11 1pa0 n ASP 39 Ca -0.02 -1.66 -0.01 0.00 -0.01 0.00 0.00 54.79 53.08 1pa0 n ASP 39 Cb 0.87 2.24 0.09 0.00 -1.03 0.00 0.00 41.12 43.29 1pa0 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pa0 h ALA 40 N 2.00 0.62 -0.37 2.12 0.00 -1.94 0.34 119.26 122.04 1pa0 h ALA 40 Ca -0.22 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1pa0 h ALA 40 Cb 1.01 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1pa0 h ALA 40 CO 0.30 -0.32 0.14 1.15 0.00 0.00 0.00 179.25 180.52 1pa0 h THR 41 N 0.23 0.91 -0.24 0.00 2.02 -1.91 -0.12 112.91 113.79 1pa0 h THR 41 Ca 0.28 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.40 1pa0 h THR 41 Cb 0.41 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1pa0 h THR 41 CO -0.38 0.05 0.04 -0.78 0.37 0.00 0.00 175.52 174.82 1pa0 h ASP 42 N 0.29 -0.01 -0.87 4.18 1.82 -1.50 -1.92 116.42 118.42 1pa0 h ASP 42 Ca 0.16 0.04 0.09 0.00 -0.39 0.00 0.00 57.03 56.94 1pa0 h ASP 42 Cb 0.13 0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.14 1pa0 h ASP 42 CO -0.16 0.03 0.56 0.03 -1.61 0.00 0.00 179.24 178.09 1pa0 h ARG 43 N 0.13 0.84 -0.18 0.28 3.08 0.45 -1.08 114.38 117.91 1pa0 h ARG 43 Ca 0.11 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1pa0 h ARG 43 Cb 0.12 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1pa0 h ARG 43 CO -0.16 0.56 -0.14 0.00 -1.07 0.00 0.00 179.97 179.16 1pa0 h TYR 46 N 0.07 0.60 -0.58 0.00 3.20 -0.38 -1.93 116.97 117.94 1pa0 h TYR 46 Ca 0.01 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 1pa0 h TYR 46 Cb 0.40 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1pa0 h TYR 46 CO 0.00 0.55 -0.03 0.28 -1.64 0.00 0.00 178.16 177.33 1pa0 h VAL 47 N 0.47 1.27 -0.43 1.81 2.07 -0.82 -2.53 116.25 118.08 1pa0 h VAL 47 Ca 0.13 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1pa0 h VAL 47 Cb 0.22 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1pa0 h VAL 47 CO -0.01 0.42 0.24 -0.74 0.02 0.00 0.00 177.57 177.50 1pa0 h HIS 48 N 0.94 0.44 -0.59 1.57 -0.00 -0.99 0.86 115.15 117.39 1pa0 h HIS 48 Ca 0.16 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 1pa0 h HIS 48 Cb 0.59 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.84 1pa0 h HIS 48 CO 0.04 0.24 0.12 0.87 -0.00 0.00 0.00 177.93 179.20 1pa0 h LYS 49 N 0.48 0.96 0.00 5.26 1.57 -1.26 -1.28 116.57 122.29 1pa0 h LYS 49 Ca 0.18 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1pa0 h LYS 49 Cb 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1pa0 h LYS 49 CO -0.10 0.90 -0.14 0.00 -0.57 0.00 0.00 179.45 179.54 1pa0 h TYR 52 N 0.79 -0.07 -1.34 0.00 0.05 -0.58 -2.89 116.97 112.92 1pa0 h TYR 52 Ca 0.14 -0.00 0.39 0.00 0.05 0.00 0.00 58.73 59.31 1pa0 h TYR 52 Cb 0.58 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 1pa0 h TYR 52 CO 0.04 0.00 0.99 0.87 -1.05 0.00 0.00 178.16 179.02 1pa0 h LYS 53 N -0.13 0.00 0.00 4.88 1.57 -1.37 0.35 116.57 121.88 1pa0 h LYS 53 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1pa0 h LYS 53 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1pa0 h LYS 53 CO 0.01 0.00 -0.65 0.87 -0.57 0.00 0.00 179.45 179.12 1pa0 h LYS 57 N 0.00 0.00 -6.64 3.15 1.57 -1.52 -3.45 116.57 109.68 1pa0 h LYS 57 Ca 0.64 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.84 1pa0 h LYS 57 Cb 2.61 0.00 0.13 0.00 0.08 0.00 0.00 32.23 35.05 1pa0 h LYS 57 CO -0.01 0.65 0.18 1.28 -0.57 0.00 0.00 179.45 180.98 1pa0 n LEU 58 N -3.42 2.62 -3.84 2.94 4.32 0.12 -4.98 117.00 114.77 1pa0 n LEU 58 Ca 0.00 1.06 -0.29 0.00 -0.02 0.00 0.00 56.01 56.76 1pa0 n LEU 58 Cb 0.73 -1.36 -0.16 0.00 -1.62 0.00 0.00 43.42 41.02 1pa0 n LEU 58 CO 0.42 -1.41 -0.39 0.42 -1.22 0.00 0.00 177.39 175.21 1pa0 s THR 59 N -1.25 1.05 0.00 -5.08 -4.23 -1.26 -4.91 115.64 99.97 1pa0 s THR 59 Ca 0.62 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1pa0 s THR 59 Cb -0.57 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1pa0 s THR 59 CO 0.57 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1pa0 n GLY 60 N 4.84 2.43 3.78 3.99 0.00 -1.26 -4.85 105.19 114.12 1pa0 n GLY 60 Ca -0.10 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 1pa0 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pa0 s ASP 67 N -1.63 6.36 0.41 0.00 3.68 -1.26 -4.95 116.67 119.28 1pa0 s ASP 67 Ca 0.60 -0.31 0.12 0.00 2.13 0.00 0.00 52.55 55.09 1pa0 s ASP 67 Cb -0.21 -2.40 0.95 0.00 -1.45 0.00 0.00 42.92 39.80 1pa0 s ASP 67 CO 0.26 -1.07 1.94 -0.65 0.13 0.00 0.00 175.17 175.78 1pa0 h PRO 68 N 9.15 0.51 0.10 4.34 0.11 -1.95 0.45 132.00 144.71 1pa0 h PRO 68 Ca -0.26 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 1pa0 h PRO 68 Cb 1.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1pa0 h PRO 68 CO 1.03 0.33 -1.22 -0.22 -0.21 0.00 0.00 178.00 177.71 1pa0 h LYS 69 N 0.52 0.21 0.00 1.05 3.64 -1.92 -3.28 116.57 116.80 1pa0 h LYS 69 Ca 0.34 -0.36 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 1pa0 h LYS 69 Cb 0.61 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1pa0 h LYS 69 CO -0.11 1.16 -1.88 1.63 -2.27 0.00 0.00 179.45 177.98 1pa0 n LYS 70 N -3.48 1.73 -2.22 1.90 4.76 -1.06 -2.10 118.16 117.68 1pa0 n LYS 70 Ca -0.07 0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 54.95 1pa0 n LYS 70 Cb 1.01 -1.33 -0.02 0.00 -1.84 0.00 0.00 35.03 32.85 1pa0 n LYS 70 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pa0 s ASP 71 N -4.69 6.76 0.11 4.39 1.01 0.16 -4.70 116.67 119.70 1pa0 s ASP 71 Ca -0.08 1.88 -0.18 0.00 0.71 0.00 0.00 52.55 54.88 1pa0 s ASP 71 Cb 0.04 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 1pa0 s ASP 71 CO 0.50 -0.90 0.58 -0.13 0.21 0.00 0.00 175.17 175.43 1pa0 s ARG 72 N 3.88 4.13 0.28 8.23 0.52 -1.26 -0.04 118.95 134.69 1pa0 s ARG 72 Ca 0.64 0.67 0.02 0.00 -0.52 0.00 0.00 55.73 56.54 1pa0 s ARG 72 Cb -0.27 -3.10 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 1pa0 s ARG 72 CO 0.23 0.56 0.08 1.52 0.02 0.00 0.00 175.30 177.71 1pa0 s TYR 73 N -1.27 1.69 0.06 -0.53 -0.85 -1.26 -4.87 117.35 110.32 1pa0 s TYR 73 Ca 0.33 -1.09 0.09 0.00 -0.52 0.00 0.00 57.07 55.88 1pa0 s TYR 73 Cb -0.18 -1.04 -0.03 0.00 0.38 0.00 0.00 41.96 41.09 1pa0 s TYR 73 CO 0.19 -0.20 -0.22 -1.54 -1.52 0.00 0.00 175.55 172.26 1pa0 s SER 74 N -3.37 3.52 0.21 -0.18 1.04 -1.26 -4.93 113.70 108.73 1pa0 s SER 74 Ca 0.37 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.15 1pa0 s SER 74 Cb 0.08 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 1pa0 s SER 74 CO 0.14 0.24 0.37 -0.72 0.98 0.00 0.00 173.24 174.25 1pa0 s TYR 75 N -0.93 0.44 0.13 5.02 1.13 -1.26 -3.65 117.35 118.22 1pa0 s TYR 75 Ca 0.14 -0.78 0.08 0.00 -1.41 0.00 0.00 57.07 55.10 1pa0 s TYR 75 Cb -0.10 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 1pa0 s TYR 75 CO 0.05 -0.85 -0.14 -1.12 -2.51 0.00 0.00 175.55 170.98 1pa0 s SER 76 N -3.01 4.10 -0.05 -0.18 0.01 0.57 -4.93 113.70 110.22 1pa0 s SER 76 Ca 0.22 -0.51 0.11 0.00 1.31 0.00 0.00 55.95 57.08 1pa0 s SER 76 Cb 0.02 -0.66 0.34 0.00 0.21 0.00 0.00 66.02 65.92 1pa0 s SER 76 CO 0.05 0.16 1.27 1.87 0.41 0.00 0.00 173.24 177.01 1pa0 n TRP 77 N 0.63 0.53 -1.62 2.43 -0.00 -1.24 -0.20 117.44 117.97 1pa0 n TRP 77 Ca -0.14 -0.60 -0.58 0.00 -0.00 0.00 0.00 57.50 56.19 1pa0 n TRP 77 Cb 0.53 -0.10 -0.07 0.00 -0.00 0.00 0.00 31.31 31.67 1pa0 n TRP 77 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1pa0 n LYS 78 N 0.16 0.68 -3.68 5.87 5.02 -1.22 -0.63 118.16 124.36 1pa0 n LYS 78 Ca 0.13 0.25 -0.27 0.00 -2.02 0.00 0.00 58.31 56.40 1pa0 n LYS 78 Cb 0.53 -1.84 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1pa0 n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pa0 n ASP 79 N 3.15 -5.66 -3.93 4.39 10.43 -1.26 -2.53 116.55 121.14 1pa0 n ASP 79 Ca 0.23 -0.61 -0.26 0.00 2.57 0.00 0.00 54.79 56.71 1pa0 n ASP 79 Cb 0.11 -4.49 -0.01 0.00 1.84 0.00 0.00 41.12 38.57 1pa0 n ASP 79 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1pa0 n LYS 80 N -4.77 -3.73 -3.82 -1.24 5.02 0.20 -4.98 118.16 104.83 1pa0 n LYS 80 Ca 0.02 0.45 -0.13 0.00 -2.02 0.00 0.00 58.31 56.63 1pa0 n LYS 80 Cb 0.55 -4.76 -0.14 0.00 -0.02 0.00 0.00 35.03 30.66 1pa0 n LYS 80 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pa0 s THR 81 N -3.81 -0.01 -0.34 -0.18 2.01 -1.05 -5.10 115.64 107.15 1pa0 s THR 81 Ca 0.11 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.91 1pa0 s THR 81 Cb -0.06 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.34 1pa0 s THR 81 CO 0.87 0.02 0.86 -0.63 -0.69 0.00 0.00 174.62 175.06 1pa0 s ILE 82 N 0.32 4.68 -0.24 1.82 1.01 -1.26 -3.37 121.20 124.17 1pa0 s ILE 82 Ca -0.02 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 1pa0 s ILE 82 Cb -0.04 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.20 1pa0 s ILE 82 CO -0.01 -0.41 -0.06 -0.69 0.00 0.00 0.00 174.94 173.76 1pa0 s VAL 83 N 3.23 2.95 0.11 2.92 1.01 0.72 -4.95 120.40 126.39 1pa0 s VAL 83 Ca 0.35 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 1pa0 s VAL 83 Cb -0.13 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 1pa0 s VAL 83 CO 0.16 0.28 0.85 0.00 0.00 0.00 0.00 175.10 176.38 1pa0 n GLY 85 N 2.12 1.97 3.69 0.00 0.00 -1.24 -4.97 105.19 106.77 1pa0 n GLY 85 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1pa0 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pa0 s GLU 86 N -1.88 4.40 0.16 1.61 0.41 -1.26 -4.91 118.70 117.23 1pa0 s GLU 86 Ca 0.33 1.52 0.25 0.00 -0.41 0.00 0.00 54.97 56.66 1pa0 s GLU 86 Cb 0.36 -3.54 0.92 0.00 -1.78 0.00 0.00 34.13 30.10 1pa0 s GLU 86 CO -0.10 -0.36 1.76 0.09 -0.49 0.00 0.00 175.26 176.16 1pa0 n ASN 87 N 5.01 0.52 -4.60 -0.19 4.13 -1.26 -4.58 115.26 114.29 1pa0 n ASN 87 Ca 0.10 0.57 -0.41 0.00 1.68 0.00 0.00 54.58 56.52 1pa0 n ASN 87 Cb 0.48 -0.70 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 1pa0 n ASN 87 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1pa0 s ASN 88 N -3.97 6.55 0.10 6.41 2.47 -1.26 -4.99 114.94 120.25 1pa0 s ASN 88 Ca 0.09 0.51 -0.26 0.00 0.42 0.00 0.00 52.86 53.62 1pa0 s ASN 88 Cb 0.13 -2.36 -0.09 0.00 -1.45 0.00 0.00 41.25 37.48 1pa0 s ASN 88 CO 0.49 -0.52 1.43 -0.65 -3.72 0.00 0.00 177.10 174.14 1pa0 h PRO 90 N 8.16 -0.34 -0.56 0.43 0.11 -1.99 0.48 132.00 138.29 1pa0 h PRO 90 Ca -0.26 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.94 1pa0 h PRO 90 Cb 1.11 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1pa0 h PRO 90 CO 0.83 -0.23 0.26 0.00 -0.21 0.00 0.00 178.00 178.64 1pa0 h LEU 92 N 0.48 0.11 -0.11 0.00 4.07 -1.82 0.12 115.31 118.17 1pa0 h LEU 92 Ca 0.26 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.09 1pa0 h LEU 92 Cb 0.22 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1pa0 h LEU 92 CO -0.21 0.33 -0.32 0.50 -1.08 0.00 0.00 178.44 177.66 1pa0 h LYS 93 N 0.11 0.40 -0.06 1.13 1.63 0.13 -0.85 116.57 119.07 1pa0 h LYS 93 Ca 0.02 -0.29 -0.04 0.00 -0.85 0.00 0.00 60.65 59.49 1pa0 h LYS 93 Cb 0.43 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1pa0 h LYS 93 CO 0.03 0.91 -0.14 1.49 -3.45 0.00 0.00 179.45 178.29 1pa0 h GLU 94 N -0.04 0.09 -0.08 1.90 4.81 -0.45 -1.56 114.58 119.26 1pa0 h GLU 94 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1pa0 h GLU 94 Cb 0.94 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1pa0 h GLU 94 CO 0.07 0.24 -0.05 1.25 -0.73 0.00 0.00 179.01 179.79 1pa0 h LEU 95 N 0.09 0.18 -1.39 1.64 5.85 -0.58 -2.73 115.31 118.36 1pa0 h LEU 95 Ca 0.02 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1pa0 h LEU 95 Cb 0.31 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1pa0 h LEU 95 CO 0.02 0.57 0.24 0.00 -0.34 0.00 0.00 178.44 178.93 1pa0 h GLU 97 N 0.66 0.48 -0.29 0.00 4.39 -1.28 -1.13 114.58 117.41 1pa0 h GLU 97 Ca 0.17 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1pa0 h GLU 97 Cb 0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1pa0 h GLU 97 CO -0.03 0.82 0.15 0.00 -1.16 0.00 0.00 179.01 178.79 1pa0 h ASP 99 N 0.34 0.66 -0.69 0.00 3.32 -1.30 -2.39 116.42 116.36 1pa0 h ASP 99 Ca 0.10 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1pa0 h ASP 99 Cb 0.08 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1pa0 h ASP 99 CO -0.01 0.80 0.41 0.50 -1.72 0.00 0.00 179.24 179.21 1pa0 h LYS 100 N 0.50 0.93 -0.65 3.56 3.64 -1.12 -1.76 116.57 121.68 1pa0 h LYS 100 Ca 0.11 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1pa0 h LYS 100 Cb 0.45 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1pa0 h LYS 100 CO 0.02 0.66 0.39 0.00 -2.27 0.00 0.00 179.45 178.26 1pa0 h ALA 101 N 1.21 0.85 -0.00 5.00 0.00 -0.83 -1.70 119.26 123.80 1pa0 h ALA 101 Ca 0.25 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1pa0 h ALA 101 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pa0 h ALA 101 CO -0.05 0.13 -0.78 -0.24 0.00 0.00 0.00 179.25 178.32 1pa0 h VAL 102 N 0.76 1.54 -0.52 0.00 3.04 -1.16 -1.94 116.25 117.97 1pa0 h VAL 102 Ca 0.27 -2.61 -0.08 0.00 -1.01 0.00 0.00 66.70 63.27 1pa0 h VAL 102 Cb 0.06 2.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 1pa0 h VAL 102 CO -0.12 0.75 0.03 0.00 -1.01 0.00 0.00 177.57 177.22 1pa0 h ALA 103 N 1.19 0.70 -0.30 3.17 0.00 -0.97 -0.73 119.26 122.33 1pa0 h ALA 103 Ca -0.01 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1pa0 h ALA 103 Cb 1.37 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pa0 h ALA 103 CO 0.10 0.49 -0.50 0.82 0.00 0.00 0.00 179.25 180.16 1pa0 h ILE 104 N 0.78 1.28 -0.61 0.00 2.04 -1.28 -2.53 117.51 117.19 1pa0 h ILE 104 Ca 0.15 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 1pa0 h ILE 104 Cb 0.48 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1pa0 h ILE 104 CO 0.02 0.55 0.12 0.00 0.00 0.00 0.00 178.15 178.84 1pa0 h LEU 106 N 0.91 0.97 0.18 0.00 3.38 -1.09 -2.51 115.31 117.14 1pa0 h LEU 106 Ca 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pa0 h LEU 106 Cb 0.40 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pa0 h LEU 106 CO 0.01 0.90 -0.09 -0.09 0.09 0.00 0.00 178.44 179.26 1pa0 h ARG 107 N 1.01 -0.23 -0.44 1.13 1.12 -1.13 -3.09 114.38 112.75 1pa0 h ARG 107 Ca 0.22 0.02 0.13 0.00 -1.11 0.00 0.00 59.98 59.24 1pa0 h ARG 107 Cb 0.27 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.27 1pa0 h ARG 107 CO -0.01 0.08 0.45 0.93 -3.11 0.00 0.00 179.97 178.31 1pa0 h GLU 108 N -0.56 0.00 -0.36 0.20 5.08 -0.93 -2.03 114.58 115.98 1pa0 h GLU 108 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pa0 h GLU 108 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1pa0 h GLU 108 CO 0.04 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 1pa0 n ASN 109 N -3.78 4.47 0.27 1.42 3.02 -0.96 -4.56 115.26 115.13 1pa0 n ASN 109 Ca 0.08 -3.00 0.11 0.00 -0.03 0.00 0.00 54.58 51.74 1pa0 n ASN 109 Cb 0.63 -0.59 0.73 0.00 -0.61 0.00 0.00 39.78 39.94 1pa0 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1pa0 h LEU 110 N 2.49 0.00 -2.44 3.41 3.38 -1.30 -2.52 115.31 118.33 1pa0 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pa0 h LEU 110 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1pa0 h LEU 110 CO 0.31 0.08 0.01 1.23 0.09 0.00 0.00 178.44 180.16 1pa0 h GLY 111 N 0.37 0.00 -0.91 0.83 0.00 -1.83 -2.17 103.07 99.36 1pa0 h GLY 111 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pa0 h GLY 111 CO 0.01 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.25 1pa0 n THR 112 N -3.87 0.89 -1.68 4.70 -2.24 -0.96 -5.01 114.28 106.11 1pa0 n THR 112 Ca -0.03 -0.94 -0.42 0.00 -2.27 0.00 0.00 64.05 60.39 1pa0 n THR 112 Cb 0.10 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1pa0 n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pa0 n TYR 113 N 0.27 2.61 -4.00 4.78 4.19 -0.82 -4.95 117.16 119.24 1pa0 n TYR 113 Ca 0.08 -0.22 -0.31 0.00 3.31 0.00 0.00 57.90 60.76 1pa0 n TYR 113 Cb 0.36 -2.76 -0.15 0.00 0.49 0.00 0.00 39.34 37.28 1pa0 n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1pa0 s ASN 114 N 3.23 4.13 0.64 2.98 3.84 -1.26 -4.97 114.94 123.53 1pa0 s ASN 114 Ca 0.84 -1.29 0.31 0.00 0.21 0.00 0.00 52.86 52.92 1pa0 s ASN 114 Cb -0.46 -1.35 1.66 0.00 -0.55 0.00 0.00 41.25 40.55 1pa0 s ASN 114 CO 0.38 -0.22 1.97 0.11 -2.79 0.00 0.00 177.10 176.55 1pa0 h LYS 115 N 7.87 0.00 0.00 0.43 1.57 -2.00 -0.38 116.57 124.06 1pa0 h LYS 115 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1pa0 h LYS 115 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1pa0 h LYS 115 CO 0.44 0.00 0.20 -0.22 -0.57 0.00 0.00 179.45 179.29 1pa0 h LYS 116 N 0.00 0.00 -0.17 3.15 3.11 -2.01 -0.41 116.57 120.24 1pa0 h LYS 116 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1pa0 h LYS 116 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1pa0 h LYS 116 CO -0.00 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 177.30 1pa0 n TYR 117 N -2.67 0.21 -1.65 1.91 4.02 -0.15 -4.92 117.16 113.91 1pa0 n TYR 117 Ca -0.02 -0.11 -0.30 0.00 -0.01 0.00 0.00 57.90 57.46 1pa0 n TYR 117 Cb 0.24 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.64 1pa0 n TYR 117 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1pa0 s ARG 118 N -1.79 2.36 0.17 -0.72 0.52 -0.16 -1.41 118.95 117.92 1pa0 s ARG 118 Ca 0.34 0.60 -0.24 0.00 -0.52 0.00 0.00 55.73 55.92 1pa0 s ARG 118 Cb 0.19 -1.95 0.06 0.00 0.52 0.00 0.00 34.95 33.77 1pa0 s ARG 118 CO 0.29 -1.42 0.82 1.52 0.02 0.00 0.00 175.30 176.53 1pa0 s TYR 119 N -3.21 -0.24 -0.09 -0.53 -0.85 -0.91 -4.91 117.35 106.61 1pa0 s TYR 119 Ca 0.60 -0.08 0.08 0.00 -0.52 0.00 0.00 57.07 57.15 1pa0 s TYR 119 Cb -0.13 0.64 -0.11 0.00 0.38 0.00 0.00 41.96 42.73 1pa0 s TYR 119 CO 0.54 -0.93 0.04 0.72 -1.52 0.00 0.00 175.55 174.39 1pa0 n HIS 120 N -0.42 0.00 -3.93 -3.49 8.25 -1.26 -4.80 115.22 109.56 1pa0 n HIS 120 Ca -0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.11 1pa0 n HIS 120 Cb 0.61 -0.44 -0.17 0.00 1.12 0.00 0.00 29.99 31.11 1pa0 n HIS 120 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pa0 s LEU 121 N -4.64 1.37 0.09 2.41 1.43 -1.26 -5.10 118.68 112.98 1pa0 s LEU 121 Ca -0.04 -0.40 -0.34 0.00 -1.03 0.00 0.00 54.13 52.31 1pa0 s LEU 121 Cb 0.03 -0.93 -0.14 0.00 0.03 0.00 0.00 46.19 45.18 1pa0 s LEU 121 CO 0.37 -0.12 1.62 1.17 0.23 0.00 0.00 176.35 179.62 1pa0 n LYS 122 N 4.89 2.02 0.00 1.70 4.81 -1.26 -4.99 118.16 125.34 1pa0 n LYS 122 Ca -0.13 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1pa0 n LYS 122 Cb 0.50 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1pa0 n LYS 122 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1pa0 n PRO 123 N 4.00 0.03 -2.52 1.64 -0.02 -1.26 -5.00 135.00 131.87 1pa0 n PRO 123 Ca 0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1pa0 n PRO 123 Cb 0.27 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.72 1pa0 n PRO 123 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1pa0 s PHE 125 N -0.70 3.58 -0.09 6.00 -0.12 -1.26 -5.03 117.98 120.35 1pa0 s PHE 125 Ca 0.00 1.55 -0.03 0.00 -0.05 0.00 0.00 56.93 58.40 1pa0 s PHE 125 Cb 0.00 -3.28 0.04 0.00 -0.63 0.00 0.00 43.02 39.15 1pa0 s PHE 125 CO 0.00 -0.66 0.06 0.00 -0.05 0.00 0.00 175.22 174.57 1pa0 n LYS 127 N 5.26 1.58 -1.44 0.00 5.02 -1.26 -4.65 118.16 122.66 1pa0 n LYS 127 Ca -0.05 0.58 -0.50 0.00 -2.02 0.00 0.00 58.31 56.31 1pa0 n LYS 127 Cb 0.50 -2.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.02 1pa0 n LYS 127 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pa0 n LYS 129 N -0.67 0.98 -1.87 1.97 5.02 -1.26 -0.66 118.16 121.68 1pa0 n LYS 129 Ca 0.10 0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 56.23 1pa0 n LYS 129 Cb 0.43 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.01 1pa0 n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pa0 s ALA 130 N 7.50 3.76 0.91 7.82 0.00 -1.26 -4.66 121.76 135.82 1pa0 s ALA 130 Ca 1.11 1.46 -0.12 0.00 0.00 0.00 0.00 51.96 54.41 1pa0 s ALA 130 Cb -0.88 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 18.68 1pa0 s ALA 130 CO 0.49 -0.86 0.73 -0.25 0.00 0.00 0.00 175.76 175.87 1pa0 n ASP 131 N 3.00 -0.94 -4.56 0.00 8.00 -1.26 -4.89 116.55 115.91 1pa0 n ASP 131 Ca 0.11 0.40 -0.33 0.00 0.71 0.00 0.00 54.79 55.68 1pa0 n ASP 131 Cb 0.38 -1.32 0.13 0.00 -0.02 0.00 0.00 41.12 40.29 1pa0 n ASP 131 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1pa0 n PRO 132 N -2.59 -0.21 0.00 -0.24 -0.02 -1.26 -5.04 135.00 125.64 1pa0 n PRO 132 Ca 0.09 -0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.73 1pa0 n PRO 132 Cb 0.52 -2.14 0.92 0.00 -0.02 0.00 0.00 33.50 32.79 1pa0 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48