#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 -0.18 1.04 3.38 -1.61 -2.27 115.31 115.67 1pa0 h LEU 2 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1pa0 h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pa0 h LEU 2 CO 0.00 0.00 -0.19 0.15 0.09 0.00 0.00 178.44 178.49 1pa0 h PHE 3 N 0.00 0.55 0.14 1.13 3.57 -1.93 -0.87 116.94 119.53 1pa0 h PHE 3 Ca 0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1pa0 h PHE 3 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1pa0 h PHE 3 CO 0.00 0.82 -0.07 0.93 -2.23 0.00 0.00 178.31 177.77 1pa0 h GLU 4 N 0.11 -0.18 -0.21 1.11 3.07 -1.82 -2.19 114.58 114.47 1pa0 h GLU 4 Ca 0.03 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1pa0 h GLU 4 Cb 0.73 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.62 1pa0 h GLU 4 CO 0.05 0.06 -0.22 1.25 -1.40 0.00 0.00 179.01 178.74 1pa0 h LEU 5 N -0.40 -0.71 -1.46 1.33 5.85 -1.49 0.05 115.31 118.49 1pa0 h LEU 5 Ca -0.02 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1pa0 h LEU 5 Cb 0.32 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1pa0 h LEU 5 CO 0.03 -0.26 0.45 1.23 -0.34 0.00 0.00 178.44 179.55 1pa0 h GLY 6 N -0.24 0.84 1.63 3.75 0.00 -1.12 -1.03 103.07 106.91 1pa0 h GLY 6 Ca 0.13 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1pa0 h GLY 6 CO -0.35 0.18 -0.86 1.70 0.00 0.00 0.00 176.54 177.21 1pa0 h LYS 7 N 0.64 0.34 -0.62 4.80 3.64 -0.62 -2.85 116.57 121.90 1pa0 h LYS 7 Ca 0.30 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1pa0 h LYS 7 Cb 0.35 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1pa0 h LYS 7 CO -0.10 1.01 0.12 0.52 -2.27 0.00 0.00 179.45 178.74 1pa0 h MET 8 N 0.20 1.00 -0.61 1.90 2.86 -0.03 -1.95 114.93 118.30 1pa0 h MET 8 Ca -0.05 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 1pa0 h MET 8 Cb 1.47 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 1pa0 h MET 8 CO 0.14 0.93 0.31 0.82 1.06 0.00 0.00 176.91 180.17 1pa0 h ILE 9 N 0.91 1.21 -0.50 -1.22 2.04 -1.21 -1.30 117.51 117.45 1pa0 h ILE 9 Ca 0.19 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1pa0 h ILE 9 Cb 0.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1pa0 h ILE 9 CO 0.01 0.23 0.05 0.25 0.00 0.00 0.00 178.15 178.69 1pa0 h LEU 10 N 0.83 0.82 -0.90 1.44 5.85 -1.36 0.11 115.31 122.10 1pa0 h LEU 10 Ca 0.21 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1pa0 h LEU 10 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1pa0 h LEU 10 CO -0.03 0.90 0.25 1.56 -0.34 0.00 0.00 178.44 180.78 1pa0 h GLN 11 N 0.72 1.06 0.00 1.25 4.20 -1.05 0.28 115.11 121.56 1pa0 h GLN 11 Ca 0.15 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1pa0 h GLN 11 Cb 0.45 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1pa0 h GLN 11 CO 0.02 0.88 -0.08 0.93 -0.67 0.00 0.00 178.83 179.91 1pa0 h GLU 12 N 1.03 0.00 0.00 1.46 4.39 -1.12 -3.40 114.58 116.94 1pa0 h GLU 12 Ca 0.23 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.71 1pa0 h GLU 12 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1pa0 h GLU 12 CO -0.01 0.68 -1.26 1.79 -1.16 0.00 0.00 179.01 179.05 1pa0 h THR 13 N -1.00 1.20 0.00 1.13 1.35 -0.86 -3.46 112.91 111.28 1pa0 h THR 13 Ca -0.02 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 1pa0 h THR 13 Cb 0.71 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1pa0 h THR 13 CO -0.01 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1pa0 n GLY 15 N 1.42 0.64 3.71 5.82 0.00 0.97 -5.02 105.19 112.73 1pa0 n GLY 15 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.04 2.53 -0.14 1.61 1.02 -1.26 -5.04 119.74 118.42 1pa0 s LYS 16 Ca 0.00 -1.23 -0.29 0.00 0.02 0.00 0.00 55.97 54.46 1pa0 s LYS 16 Cb 0.00 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1pa0 s LYS 16 CO 0.00 0.40 1.54 1.21 -0.92 0.00 0.00 175.35 177.58 1pa0 s ASN 17 N -3.58 6.64 0.10 2.83 2.47 -1.26 -4.22 114.94 117.91 1pa0 s ASN 17 Ca 0.31 1.89 -0.30 0.00 0.42 0.00 0.00 52.86 55.18 1pa0 s ASN 17 Cb -0.07 -2.53 -0.13 0.00 -1.45 0.00 0.00 41.25 37.06 1pa0 s ASN 17 CO 0.21 -1.00 1.62 1.55 -3.72 0.00 0.00 177.10 175.77 1pa0 h PRO 18 N 9.62 -0.65 -0.35 0.43 0.13 -1.92 -1.63 132.00 137.62 1pa0 h PRO 18 Ca -0.34 0.04 0.07 0.00 -0.87 0.00 0.00 66.00 64.90 1pa0 h PRO 18 Cb 1.15 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.37 1pa0 h PRO 18 CO 0.97 -0.44 -0.03 0.00 -0.23 0.00 0.00 178.00 178.27 1pa0 h ALA 19 N -0.16 0.29 0.62 -0.56 0.00 -1.91 0.62 119.26 118.16 1pa0 h ALA 19 Ca -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pa0 h ALA 19 Cb 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1pa0 h ALA 19 CO -0.06 -0.42 -0.46 -0.22 0.00 0.00 0.00 179.25 178.09 1pa0 h LYS 20 N 0.06 -1.00 0.00 0.00 3.64 -1.95 0.32 116.57 117.63 1pa0 h LYS 20 Ca 0.17 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1pa0 h LYS 20 Cb 0.25 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1pa0 h LYS 20 CO -0.32 -0.67 -0.32 0.77 -2.27 0.00 0.00 179.45 176.64 1pa0 h SER 21 N -1.04 0.00 0.00 4.20 0.02 -1.22 -3.38 113.55 112.13 1pa0 h SER 21 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1pa0 h SER 21 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1pa0 h SER 21 CO 0.03 0.10 0.00 -1.22 -1.14 0.00 0.00 176.83 174.60 1pa0 n TYR 22 N -3.03 0.00 -0.01 3.45 4.01 0.21 -4.56 117.16 117.23 1pa0 n TYR 22 Ca 0.02 -0.07 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1pa0 n TYR 22 Cb 0.58 -0.01 0.41 0.00 -0.31 0.00 0.00 39.34 40.01 1pa0 n TYR 22 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1pa0 h GLY 23 N 0.00 0.59 -2.94 2.72 0.00 0.26 -3.34 103.07 100.36 1pa0 h GLY 23 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 1pa0 h GLY 23 CO 0.00 0.22 -0.74 0.00 0.00 0.00 0.00 176.54 176.02 1pa0 n ALA 24 N -2.47 2.90 -1.93 3.60 0.00 -1.22 -3.99 120.51 117.40 1pa0 n ALA 24 Ca 0.03 -1.72 -0.41 0.00 0.00 0.00 0.00 53.44 51.33 1pa0 n ALA 24 Cb 0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.29 3.11 0.00 0.00 6.14 -0.85 -4.02 117.35 121.44 1pa0 s TYR 25 Ca 0.20 1.05 0.00 0.00 0.64 0.00 0.00 57.07 58.96 1pa0 s TYR 25 Cb 0.25 -3.75 0.00 0.00 0.42 0.00 0.00 41.96 38.88 1pa0 s TYR 25 CO -0.10 -2.47 0.00 0.41 0.64 0.00 0.00 175.55 174.03 1pa0 n GLY 26 N 2.43 1.75 0.43 8.97 0.00 -0.86 -1.60 105.19 116.31 1pa0 n GLY 26 Ca 0.07 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.21 3.34 -4.55 0.00 3.02 -1.24 -2.74 115.26 112.88 1pa0 n ASN 28 Ca 0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.21 1pa0 n ASN 28 Cb 0.45 0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 40.15 1pa0 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pa0 n GLY 30 N 5.06 0.86 0.09 0.00 0.00 -1.26 -2.00 105.19 107.94 1pa0 n GLY 30 Ca 0.04 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.36 1pa0 n GLY 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pa0 n VAL 31 N 8.16 0.49 0.18 1.61 0.31 -1.26 -4.51 118.33 123.31 1pa0 n VAL 31 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1pa0 n VAL 31 Cb 0.00 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1pa0 n VAL 31 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1pa0 n LEU 32 N -2.43 4.04 0.00 7.52 7.94 -1.26 -4.98 117.00 127.82 1pa0 n LEU 32 Ca 0.01 -1.88 0.00 0.00 -1.11 0.00 0.00 56.01 53.03 1pa0 n LEU 32 Cb 0.51 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.66 1pa0 n LEU 32 CO 0.39 0.73 0.00 0.61 -1.11 0.00 0.00 177.39 178.01 1pa0 n GLY 33 N 1.07 0.06 3.97 -3.96 0.00 -1.26 -4.85 105.19 100.23 1pa0 n GLY 33 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 2.57 -0.03 1.61 0.52 -1.26 -4.53 118.95 117.84 1pa0 s ARG 34 Ca 0.00 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 1pa0 s ARG 34 Cb 0.00 -2.51 0.11 0.00 0.52 0.00 0.00 34.95 33.07 1pa0 s ARG 34 CO 0.00 -0.67 0.96 0.20 0.02 0.00 0.00 175.30 175.81 1pa0 s GLY 35 N -4.42 -0.41 -0.28 -3.53 0.00 -1.11 -4.67 107.32 92.91 1pa0 s GLY 35 Ca 0.57 1.06 -0.37 0.00 0.00 0.00 0.00 44.72 45.98 1pa0 s GLY 35 CO 0.38 0.35 1.97 -0.18 0.00 0.00 0.00 173.10 175.62 1pa0 n GLN 36 N -0.24 1.31 -1.65 2.90 0.00 -0.37 -4.62 117.38 114.70 1pa0 n GLN 36 Ca -0.07 0.44 -0.43 0.00 -0.00 0.00 0.00 57.00 56.94 1pa0 n GLN 36 Cb 0.61 -2.35 -0.00 0.00 0.00 0.00 0.00 30.24 28.49 1pa0 n GLN 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1pa0 n PRO 37 N 6.89 1.78 0.01 3.69 -0.04 -1.26 -4.71 135.00 141.36 1pa0 n PRO 37 Ca 0.33 0.63 0.11 0.00 -0.04 0.00 0.00 63.50 64.52 1pa0 n PRO 37 Cb 0.20 -2.15 0.01 0.00 -0.04 0.00 0.00 33.50 31.51 1pa0 n PRO 37 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pa0 n LYS 38 N 0.50 0.19 -2.62 0.54 5.02 -1.26 -4.95 118.16 115.57 1pa0 n LYS 38 Ca 0.07 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.35 1pa0 n LYS 38 Cb 0.36 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1pa0 n LYS 38 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1pa0 n ASP 39 N -1.78 -0.51 0.20 4.39 5.75 -1.26 -5.02 116.55 118.32 1pa0 n ASP 39 Ca 0.03 -1.15 -0.15 0.00 -0.01 0.00 0.00 54.79 53.51 1pa0 n ASP 39 Cb 0.40 0.80 -0.07 0.00 -1.03 0.00 0.00 41.12 41.22 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 -0.66 -0.38 2.12 0.00 -1.94 -0.58 119.26 119.82 1pa0 h ALA 40 Ca -0.09 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1pa0 h ALA 40 Cb 0.46 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1pa0 h ALA 40 CO 0.12 -0.90 -0.24 1.15 0.00 0.00 0.00 179.25 179.38 1pa0 h THR 41 N -0.65 0.35 -0.45 0.00 2.02 -1.90 -0.50 112.91 111.78 1pa0 h THR 41 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1pa0 h THR 41 Cb 0.59 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1pa0 h THR 41 CO -0.06 0.00 0.30 -0.78 0.37 0.00 0.00 175.52 175.35 1pa0 h ASP 42 N -0.18 0.46 -0.52 4.18 3.58 -1.87 -0.75 116.42 121.32 1pa0 h ASP 42 Ca 0.18 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1pa0 h ASP 42 Cb 0.47 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1pa0 h ASP 42 CO -0.49 0.33 0.19 -0.09 -2.88 0.00 0.00 179.24 176.30 1pa0 h ARG 43 N 0.54 0.84 -0.32 0.28 9.65 0.52 -2.09 114.38 123.79 1pa0 h ARG 43 Ca 0.17 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1pa0 h ARG 43 Cb 0.03 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1pa0 h ARG 43 CO -0.04 0.72 0.08 0.00 2.80 0.00 0.00 179.97 183.53 1pa0 h TYR 46 N 0.00 -0.26 -1.00 0.00 3.20 -0.66 -0.93 116.97 117.33 1pa0 h TYR 46 Ca -0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1pa0 h TYR 46 Cb 0.34 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1pa0 h TYR 46 CO 0.00 0.10 0.66 0.28 -1.64 0.00 0.00 178.16 177.56 1pa0 h VAL 47 N -0.65 1.21 -0.12 1.81 2.07 -0.89 -1.42 116.25 118.25 1pa0 h VAL 47 Ca -0.03 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1pa0 h VAL 47 Cb 0.46 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1pa0 h VAL 47 CO 0.05 0.24 0.04 -0.74 0.02 0.00 0.00 177.57 177.17 1pa0 h HIS 48 N 1.31 0.07 -0.04 1.57 -0.00 -0.76 0.52 115.15 117.82 1pa0 h HIS 48 Ca 0.39 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.71 1pa0 h HIS 48 Cb -0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1pa0 h HIS 48 CO -0.00 0.04 -0.21 0.87 -0.00 0.00 0.00 177.93 178.63 1pa0 h LYS 49 N 0.10 0.07 -0.05 5.26 1.57 -0.69 -1.64 116.57 121.19 1pa0 h LYS 49 Ca 0.05 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1pa0 h LYS 49 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1pa0 h LYS 49 CO -0.05 0.28 -0.63 0.00 -0.57 0.00 0.00 179.45 178.48 1pa0 h TYR 52 N 0.69 0.67 0.00 0.00 -1.99 -1.23 -2.60 116.97 112.51 1pa0 h TYR 52 Ca 0.14 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1pa0 h TYR 52 Cb 0.48 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1pa0 h TYR 52 CO 0.04 0.48 0.00 -0.22 -0.00 0.00 0.00 178.16 178.45 1pa0 h LYS 53 N 0.70 0.00 -0.02 4.88 3.64 -1.31 -2.62 116.57 121.84 1pa0 h LYS 53 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pa0 h LYS 53 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1pa0 h LYS 53 CO -0.03 0.00 -0.14 1.63 -2.27 0.00 0.00 179.45 178.64 1pa0 n LYS 57 N -2.30 1.66 -2.55 1.90 5.02 -0.98 -4.93 118.16 115.96 1pa0 n LYS 57 Ca 0.01 -1.21 -0.42 0.00 -2.02 0.00 0.00 58.31 54.66 1pa0 n LYS 57 Cb 0.16 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1pa0 n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pa0 s LEU 58 N -2.18 4.33 -0.24 -0.35 2.01 -0.99 -5.03 118.68 116.23 1pa0 s LEU 58 Ca 0.29 1.79 0.00 0.00 0.01 0.00 0.00 54.13 56.22 1pa0 s LEU 58 Cb 0.20 -3.57 0.03 0.00 0.01 0.00 0.00 46.19 42.87 1pa0 s LEU 58 CO 0.40 -0.44 -0.11 0.42 1.01 0.00 0.00 176.35 177.64 1pa0 s THR 59 N 1.49 2.47 0.00 5.49 -4.23 -1.26 -4.69 115.64 114.90 1pa0 s THR 59 Ca 0.55 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1pa0 s THR 59 Cb -0.24 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1pa0 s THR 59 CO 0.25 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 1pa0 n GLY 60 N 4.59 0.45 3.04 3.99 0.00 -1.26 -4.70 105.19 111.29 1pa0 n GLY 60 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.15 5.07 0.60 0.00 -1.08 -1.26 -4.98 116.67 112.86 1pa0 s ASP 67 Ca -0.05 -0.58 0.31 0.00 -0.52 0.00 0.00 52.55 51.71 1pa0 s ASP 67 Cb -0.02 -1.88 1.88 0.00 -1.46 0.00 0.00 42.92 41.45 1pa0 s ASP 67 CO -0.05 -0.15 2.26 -0.65 0.52 0.00 0.00 175.17 177.11 1pa0 h PRO 68 N 8.23 0.00 0.01 4.34 0.11 -1.96 0.49 132.00 143.21 1pa0 h PRO 68 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pa0 h PRO 68 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pa0 h PRO 68 CO 0.60 0.01 -0.00 0.87 -0.21 0.00 0.00 178.00 179.26 1pa0 h LYS 69 N 0.00 -0.01 0.00 1.05 1.57 -1.94 -3.28 116.57 113.96 1pa0 h LYS 69 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1pa0 h LYS 69 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1pa0 h LYS 69 CO 0.00 0.31 -0.50 0.87 -0.57 0.00 0.00 179.45 179.55 1pa0 h LYS 70 N -1.00 0.00 -6.30 3.15 1.57 -1.95 -3.15 116.57 108.90 1pa0 h LYS 70 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1pa0 h LYS 70 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.64 1pa0 h LYS 70 CO 0.00 0.78 1.20 -0.25 -0.57 0.00 0.00 179.45 180.61 1pa0 n ASP 71 N -4.57 3.80 -4.93 0.86 8.00 0.16 -4.65 116.55 115.22 1pa0 n ASP 71 Ca -0.16 0.89 -0.25 0.00 0.71 0.00 0.00 54.79 55.98 1pa0 n ASP 71 Cb 0.47 -1.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1pa0 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1pa0 s ARG 72 N 4.44 3.36 0.23 -1.24 0.52 -1.26 0.25 118.95 125.25 1pa0 s ARG 72 Ca 0.92 -0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.79 1pa0 s ARG 72 Cb -0.54 -2.54 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 1pa0 s ARG 72 CO 0.46 -0.09 0.42 1.52 0.02 0.00 0.00 175.30 177.63 1pa0 s TYR 73 N -2.52 0.41 -0.09 -0.53 -0.85 -1.26 -4.80 117.35 107.71 1pa0 s TYR 73 Ca 0.45 -0.75 -0.11 0.00 -0.52 0.00 0.00 57.07 56.14 1pa0 s TYR 73 Cb -0.10 0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.29 1pa0 s TYR 73 CO 0.39 -0.91 0.25 -1.12 -1.52 0.00 0.00 175.55 172.64 1pa0 s SER 74 N -3.01 6.53 0.03 -0.18 0.01 -1.26 -4.96 113.70 110.85 1pa0 s SER 74 Ca 0.22 0.63 -0.27 0.00 1.31 0.00 0.00 55.95 57.83 1pa0 s SER 74 Cb 0.01 -2.15 0.08 0.00 0.21 0.00 0.00 66.02 64.17 1pa0 s SER 74 CO 0.07 0.33 0.71 -0.72 0.41 0.00 0.00 173.24 174.04 1pa0 s TYR 75 N -0.77 -0.54 0.23 2.43 1.13 -1.26 -1.91 117.35 116.66 1pa0 s TYR 75 Ca 0.18 0.62 0.07 0.00 -1.41 0.00 0.00 57.07 56.53 1pa0 s TYR 75 Cb -0.14 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 1pa0 s TYR 75 CO 0.07 -0.68 -0.11 -1.54 -2.51 0.00 0.00 175.55 170.79 1pa0 s SER 76 N -2.02 2.59 -0.53 -0.18 1.04 -0.23 -4.95 113.70 109.42 1pa0 s SER 76 Ca -0.03 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1pa0 s SER 76 Cb -0.01 -0.14 0.14 0.00 0.10 0.00 0.00 66.02 66.11 1pa0 s SER 76 CO -0.03 -0.25 0.31 0.86 0.98 0.00 0.00 173.24 175.10 1pa0 s TRP 77 N -3.02 3.40 -0.24 5.02 -0.11 -1.26 -0.50 118.94 122.23 1pa0 s TRP 77 Ca 0.25 -2.85 -0.07 0.00 1.22 0.00 0.00 56.10 54.64 1pa0 s TRP 77 Cb 0.01 -3.05 -0.03 0.00 -1.50 0.00 0.00 33.47 28.90 1pa0 s TRP 77 CO 0.09 -0.84 0.07 0.15 -4.62 0.00 0.00 176.95 171.80 1pa0 s LYS 78 N 0.14 3.70 -1.44 5.86 1.02 -0.57 -4.55 119.74 123.88 1pa0 s LYS 78 Ca 0.15 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 1pa0 s LYS 78 Cb -0.22 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1pa0 s LYS 78 CO -0.03 -0.14 0.69 -0.25 -0.92 0.00 0.00 175.35 174.70 1pa0 n ASP 79 N 4.79 -2.02 -3.43 2.83 8.00 -1.26 -1.57 116.55 123.88 1pa0 n ASP 79 Ca -0.16 -0.89 -0.24 0.00 0.71 0.00 0.00 54.79 54.20 1pa0 n ASP 79 Cb 0.52 -3.54 0.05 0.00 -0.02 0.00 0.00 41.12 38.13 1pa0 n ASP 79 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pa0 n LYS 80 N -4.43 -6.25 -4.18 -1.24 5.02 -1.26 -4.99 118.16 100.83 1pa0 n LYS 80 Ca -0.18 0.80 -0.18 0.00 -2.02 0.00 0.00 58.31 56.73 1pa0 n LYS 80 Cb 0.62 -5.74 -0.15 0.00 -0.02 0.00 0.00 35.03 29.74 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 -3.24 0.49 -0.06 -0.18 2.01 -0.61 -5.08 115.64 108.96 1pa0 s THR 81 Ca 0.49 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 1pa0 s THR 81 Cb -0.23 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1pa0 s THR 81 CO 0.61 0.17 0.99 -0.63 -0.69 0.00 0.00 174.62 175.06 1pa0 s ILE 82 N 0.29 4.83 -0.26 1.82 1.01 -1.26 -1.52 121.20 126.11 1pa0 s ILE 82 Ca -0.03 2.04 -0.00 0.00 0.00 0.00 0.00 60.65 62.65 1pa0 s ILE 82 Cb -0.07 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.16 1pa0 s ILE 82 CO -0.00 0.08 0.02 -0.69 0.00 0.00 0.00 174.94 174.35 1pa0 s VAL 83 N 1.55 1.20 0.43 2.92 1.01 0.35 -4.98 120.40 122.88 1pa0 s VAL 83 Ca 0.50 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1pa0 s VAL 83 Cb -0.19 -1.68 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 1pa0 s VAL 83 CO 0.22 -0.34 1.21 0.00 0.00 0.00 0.00 175.10 176.19 1pa0 n GLY 85 N 0.58 2.02 3.74 0.00 0.00 -0.80 -4.90 105.19 105.82 1pa0 n GLY 85 Ca 0.06 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.08 2.73 -0.07 1.61 0.41 -1.26 -4.76 118.70 115.28 1pa0 s GLU 86 Ca 0.30 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 54.07 1pa0 s GLU 86 Cb 0.40 -2.61 -0.25 0.00 -1.78 0.00 0.00 34.13 29.90 1pa0 s GLU 86 CO -0.02 0.53 0.56 -0.97 -0.49 0.00 0.00 175.26 174.86 1pa0 h ASN 87 N 3.06 0.19 -2.60 -0.19 -0.73 -1.97 -3.45 115.58 109.90 1pa0 h ASN 87 Ca -0.47 -0.42 -0.55 0.00 1.87 0.00 0.00 56.30 56.73 1pa0 h ASN 87 Cb 1.18 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 1pa0 h ASN 87 CO 0.62 1.37 1.09 0.21 -0.37 0.00 0.00 177.43 180.36 1pa0 s ASN 88 N -6.53 6.66 0.17 1.15 2.47 -1.26 -4.93 114.94 112.67 1pa0 s ASN 88 Ca -0.12 2.26 -0.15 0.00 0.42 0.00 0.00 52.86 55.27 1pa0 s ASN 88 Cb 0.07 -2.53 0.13 0.00 -1.45 0.00 0.00 41.25 37.47 1pa0 s ASN 88 CO 0.80 -0.93 1.72 -0.65 -3.72 0.00 0.00 177.10 174.32 1pa0 h PRO 90 N 9.54 0.18 -0.52 0.43 0.11 -1.99 0.30 132.00 140.06 1pa0 h PRO 90 Ca -0.40 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1pa0 h PRO 90 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1pa0 h PRO 90 CO 0.95 0.12 0.08 0.00 -0.21 0.00 0.00 178.00 178.94 1pa0 h LEU 92 N 0.75 0.13 -0.02 0.00 4.07 -1.85 0.13 115.31 118.52 1pa0 h LEU 92 Ca 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1pa0 h LEU 92 Cb 0.41 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1pa0 h LEU 92 CO 0.01 0.52 -0.02 0.50 -1.08 0.00 0.00 178.44 178.37 1pa0 h LYS 93 N 0.11 0.04 -0.80 1.13 1.63 -0.10 -1.30 116.57 117.28 1pa0 h LYS 93 Ca 0.01 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1pa0 h LYS 93 Cb 0.76 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 1pa0 h LYS 93 CO 0.06 0.57 0.53 1.49 -3.45 0.00 0.00 179.45 178.65 1pa0 h GLU 94 N -0.48 1.04 -0.51 1.90 4.81 -0.93 0.24 114.58 120.65 1pa0 h GLU 94 Ca 0.00 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1pa0 h GLU 94 Cb 0.57 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1pa0 h GLU 94 CO 0.01 0.69 0.33 1.25 -0.73 0.00 0.00 179.01 180.55 1pa0 h LEU 95 N 1.07 0.55 -1.04 1.64 5.85 -0.69 0.88 115.31 123.57 1pa0 h LEU 95 Ca 0.30 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1pa0 h LEU 95 Cb -0.10 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1pa0 h LEU 95 CO -0.07 0.39 0.35 0.00 -0.34 0.00 0.00 178.44 178.77 1pa0 h GLU 97 N 1.03 0.00 -0.24 0.00 4.39 0.16 -1.17 114.58 118.75 1pa0 h GLU 97 Ca 0.25 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 1pa0 h GLU 97 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1pa0 h GLU 97 CO -0.03 0.41 -0.04 0.00 -1.16 0.00 0.00 179.01 178.19 1pa0 h ASP 99 N 0.20 0.89 -0.36 0.00 3.32 -1.19 -2.77 116.42 116.50 1pa0 h ASP 99 Ca 0.06 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1pa0 h ASP 99 Cb 0.49 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1pa0 h ASP 99 CO 0.02 1.01 0.14 0.50 -1.72 0.00 0.00 179.24 179.20 1pa0 h LYS 100 N 0.80 0.54 -1.00 3.56 3.64 -1.19 -2.36 116.57 120.56 1pa0 h LYS 100 Ca 0.13 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1pa0 h LYS 100 Cb 0.64 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1pa0 h LYS 100 CO 0.04 0.53 0.66 0.00 -2.27 0.00 0.00 179.45 178.41 1pa0 h ALA 101 N 0.99 1.34 -0.03 5.00 0.00 -1.28 -1.90 119.26 123.38 1pa0 h ALA 101 Ca 0.12 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1pa0 h ALA 101 Cb 0.19 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pa0 h ALA 101 CO -0.01 0.57 -0.85 -0.24 0.00 0.00 0.00 179.25 178.72 1pa0 h VAL 102 N 1.28 1.41 -0.16 0.00 3.04 -1.38 -1.94 116.25 118.49 1pa0 h VAL 102 Ca 0.39 -2.35 -0.00 0.00 -1.01 0.00 0.00 66.70 63.73 1pa0 h VAL 102 Cb -0.02 2.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1pa0 h VAL 102 CO -0.12 0.70 0.09 0.00 -1.01 0.00 0.00 177.57 177.24 1pa0 h ALA 103 N 0.85 0.21 -0.68 3.17 0.00 -1.09 0.65 119.26 122.36 1pa0 h ALA 103 Ca -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1pa0 h ALA 103 Cb 1.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1pa0 h ALA 103 CO 0.14 -0.26 0.38 0.82 0.00 0.00 0.00 179.25 180.33 1pa0 h ILE 104 N 0.17 1.21 -0.25 0.00 2.04 -1.37 -2.08 117.51 117.23 1pa0 h ILE 104 Ca 0.06 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1pa0 h ILE 104 Cb 0.06 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1pa0 h ILE 104 CO -0.01 0.22 0.15 0.00 0.00 0.00 0.00 178.15 178.51 1pa0 h LEU 106 N 0.31 1.05 -0.50 0.00 3.38 -0.66 -1.68 115.31 117.21 1pa0 h LEU 106 Ca 0.09 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1pa0 h LEU 106 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1pa0 h LEU 106 CO -0.02 0.71 -0.17 -0.09 0.09 0.00 0.00 178.44 178.96 1pa0 h ARG 107 N 1.22 1.01 0.00 1.13 2.43 -0.99 -2.84 114.38 116.33 1pa0 h ARG 107 Ca 0.40 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1pa0 h ARG 107 Cb 0.03 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1pa0 h ARG 107 CO -0.13 1.09 -0.05 0.93 -1.51 0.00 0.00 179.97 180.29 1pa0 h GLU 108 N 0.87 0.00 -0.30 0.20 5.08 -0.31 -2.80 114.58 117.32 1pa0 h GLU 108 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pa0 h GLU 108 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1pa0 h GLU 108 CO 0.06 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 1pa0 n ASN 109 N -3.32 4.08 0.32 1.42 3.02 -0.71 -4.51 115.26 115.56 1pa0 n ASN 109 Ca -0.01 -2.98 0.20 0.00 -0.03 0.00 0.00 54.58 51.75 1pa0 n ASN 109 Cb 0.22 -0.55 1.04 0.00 -0.61 0.00 0.00 39.78 39.87 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 2.07 0.00 -2.08 3.41 3.38 -1.31 -2.30 115.31 118.48 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 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1pa0 h LEU 110 CO 0.25 0.01 0.00 1.23 0.09 0.00 0.00 178.44 180.02 1pa0 h GLY 111 N 0.54 0.00 -0.97 0.83 0.00 -1.83 -3.02 103.07 98.60 1pa0 h GLY 111 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1pa0 h GLY 111 CO 0.00 0.00 -0.42 -1.30 0.00 0.00 0.00 176.54 174.82 1pa0 n THR 112 N -2.88 0.77 -2.02 4.70 -2.24 -0.87 -5.06 114.28 106.67 1pa0 n THR 112 Ca -0.01 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 1pa0 n THR 112 Cb 0.15 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1pa0 n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1pa0 s TYR 113 N -1.16 3.12 -0.24 4.78 6.14 -1.15 -4.89 117.35 123.96 1pa0 s TYR 113 Ca 0.18 0.80 0.00 0.00 0.64 0.00 0.00 57.07 58.69 1pa0 s TYR 113 Cb 0.17 -3.83 0.03 0.00 0.42 0.00 0.00 41.96 38.76 1pa0 s TYR 113 CO -0.02 -2.95 -0.10 -0.80 0.64 0.00 0.00 175.55 172.31 1pa0 s ASN 114 N 0.99 4.09 0.55 4.32 0.01 -1.26 -4.99 114.94 118.65 1pa0 s ASN 114 Ca 0.66 -0.96 0.23 0.00 -0.71 0.00 0.00 52.86 52.08 1pa0 s ASN 114 Cb -0.41 -1.59 1.53 0.00 0.41 0.00 0.00 41.25 41.19 1pa0 s ASN 114 CO 0.33 -0.12 2.19 0.11 -1.51 0.00 0.00 177.10 178.10 1pa0 h LYS 115 N 7.94 0.00 0.00 -0.60 1.57 -1.99 -1.19 116.57 122.30 1pa0 h LYS 115 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1pa0 h LYS 115 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1pa0 h LYS 115 CO 0.56 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 181.09 1pa0 n LYS 116 N -4.14 0.25 -0.00 3.15 4.76 -1.26 -0.82 118.16 120.10 1pa0 n LYS 116 Ca -0.03 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.45 1pa0 n LYS 116 Cb 0.11 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 1pa0 n LYS 116 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pa0 n TYR 117 N -0.98 0.00 -0.29 2.13 0.53 -0.45 -4.58 117.16 113.52 1pa0 n TYR 117 Ca 0.06 0.00 0.05 0.00 -1.02 0.00 0.00 57.90 56.98 1pa0 n TYR 117 Cb 0.03 -0.13 0.11 0.00 -1.03 0.00 0.00 39.34 38.31 1pa0 n TYR 117 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1pa0 n ARG 118 N -1.60 -0.07 -1.41 -0.72 1.74 0.00 -0.51 116.66 114.09 1pa0 n ARG 118 Ca -0.01 1.25 -0.08 0.00 -0.77 0.00 0.00 57.85 58.24 1pa0 n ARG 118 Cb 0.20 -1.86 0.11 0.00 -1.02 0.00 0.00 32.46 29.88 1pa0 n ARG 118 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pa0 n TYR 119 N -5.30 1.27 -1.53 -1.55 4.02 -1.26 -2.39 117.16 110.42 1pa0 n TYR 119 Ca 0.13 -1.79 -0.48 0.00 -0.01 0.00 0.00 57.90 55.75 1pa0 n TYR 119 Cb 0.40 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1pa0 n TYR 119 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1pa0 n HIS 120 N -0.81 0.81 -2.33 -0.72 -0.00 0.34 -4.83 115.22 107.68 1pa0 n HIS 120 Ca 0.28 0.79 -0.41 0.00 0.46 0.00 0.00 57.72 58.84 1pa0 n HIS 120 Cb 0.85 -2.18 -0.03 0.00 -0.12 0.00 0.00 29.99 28.51 1pa0 n HIS 120 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1pa0 s LEU 121 N 1.10 3.34 0.56 0.27 1.43 -1.26 -4.80 118.68 119.31 1pa0 s LEU 121 Ca 0.68 0.21 0.27 0.00 -1.03 0.00 0.00 54.13 54.26 1pa0 s LEU 121 Cb -0.86 -2.87 1.49 0.00 0.03 0.00 0.00 46.19 43.97 1pa0 s LEU 121 CO 0.56 -1.88 2.00 0.11 0.23 0.00 0.00 176.35 177.37 1pa0 h LYS 122 N 11.78 0.00 0.00 1.70 1.57 -1.88 -1.13 116.57 128.61 1pa0 h LYS 122 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1pa0 h LYS 122 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1pa0 h LYS 122 CO 1.20 0.00 0.00 -0.35 -0.57 0.00 0.00 179.45 179.73 1pa0 n PRO 123 N -4.06 0.39 -0.00 3.15 -0.04 -1.26 -0.67 135.00 132.51 1pa0 n PRO 123 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1pa0 n PRO 123 Cb 0.55 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.85 1pa0 n PRO 123 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pa0 n PHE 125 N -0.58 0.00 -2.12 0.54 3.72 -0.43 -5.02 117.46 113.56 1pa0 n PHE 125 Ca 0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1pa0 n PHE 125 Cb 0.01 -0.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.49 1pa0 n PHE 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pa0 s LYS 127 N -3.76 3.50 0.62 0.00 1.02 -1.26 -4.95 119.74 114.91 1pa0 s LYS 127 Ca 0.67 -0.22 -0.19 0.00 0.02 0.00 0.00 55.97 56.24 1pa0 s LYS 127 Cb -0.19 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1pa0 s LYS 127 CO 0.33 0.08 1.25 1.17 -0.92 0.00 0.00 175.35 177.26 1pa0 n LYS 129 N -1.86 1.22 -3.82 1.68 4.81 -1.26 -1.24 118.16 117.69 1pa0 n LYS 129 Ca -0.04 0.47 -0.31 0.00 -0.87 0.00 0.00 58.31 57.56 1pa0 n LYS 129 Cb 0.56 -2.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 1pa0 n LYS 129 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pa0 s ALA 130 N -1.38 3.92 0.67 3.14 0.00 -1.26 -3.78 121.76 123.07 1pa0 s ALA 130 Ca 0.79 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1pa0 s ALA 130 Cb -0.40 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1pa0 s ALA 130 CO 0.44 0.73 1.15 -0.51 0.00 0.00 0.00 175.76 177.56 1pa0 s ASP 131 N -2.59 4.82 0.46 0.00 -0.00 -1.26 -4.93 116.67 113.17 1pa0 s ASP 131 Ca 0.37 2.17 -0.22 0.00 -0.00 0.00 0.00 52.55 54.87 1pa0 s ASP 131 Cb -0.12 -2.57 -0.08 0.00 -0.00 0.00 0.00 42.92 40.15 1pa0 s ASP 131 CO 0.27 -1.83 1.12 -2.16 -0.00 0.00 0.00 175.17 172.57 1pa0 s PRO 132 N -3.92 3.81 0.00 8.23 0.04 -1.26 -5.05 135.00 136.86 1pa0 s PRO 132 Ca 0.71 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1pa0 s PRO 132 Cb -0.24 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1pa0 s PRO 132 CO 0.41 -0.48 0.42 0.00 0.04 0.00 0.00 177.00 177.38