#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a63 s ASN 2 N 0.00 6.26 0.32 3.17 2.47 -1.20 0.08 114.94 126.04 1a63 s ASN 2 Ca 0.00 -1.08 0.08 0.00 0.42 0.00 0.00 52.86 52.28 1a63 s ASN 2 Cb 0.00 -2.57 0.93 0.00 -1.45 0.00 0.00 41.25 38.16 1a63 s ASN 2 CO 0.00 -1.73 1.61 -0.07 -3.72 0.00 0.00 177.10 173.19 1a63 h LEU 3 N 13.43 0.01 -1.55 3.21 4.07 -1.39 1.76 115.31 134.84 1a63 h LEU 3 Ca 0.06 0.24 0.07 0.00 0.08 0.00 0.00 57.88 58.33 1a63 h LEU 3 Cb 1.02 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 43.04 1a63 h LEU 3 CO 1.37 -0.28 0.40 0.74 -1.08 0.00 0.00 178.44 179.59 1a63 h THR 4 N 0.12 0.97 -0.18 0.22 2.02 -1.88 0.23 112.91 114.40 1a63 h THR 4 Ca 0.66 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.56 1a63 h THR 4 Cb 1.50 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1a63 h THR 4 CO -0.76 0.10 -0.28 1.05 0.37 0.00 0.00 175.52 176.00 1a63 h GLU 5 N 0.54 0.51 -0.42 6.66 -0.00 0.22 -0.49 114.58 121.61 1a63 h GLU 5 Ca 0.27 -0.31 0.08 0.00 -0.00 0.00 0.00 59.36 59.40 1a63 h GLU 5 Cb 0.36 0.03 -0.07 0.00 -0.00 0.00 0.00 28.75 29.06 1a63 h GLU 5 CO -0.08 0.91 -0.05 -0.07 -0.00 0.00 0.00 179.01 179.71 1a63 h LEU 6 N 0.17 -0.29 -0.86 3.06 3.38 0.27 -0.71 115.31 120.32 1a63 h LEU 6 Ca 0.02 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1a63 h LEU 6 Cb 0.86 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1a63 h LEU 6 CO 0.06 -0.10 0.01 0.11 0.09 0.00 0.00 178.44 178.61 1a63 h LYS 7 N 0.05 0.86 0.00 1.13 1.57 -0.99 -2.43 116.57 116.76 1a63 h LYS 7 Ca 0.21 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a63 h LYS 7 Cb 0.31 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1a63 h LYS 7 CO -0.39 0.85 0.00 -0.91 -0.57 0.00 0.00 179.45 178.43 1a63 h ASN 8 N 0.80 0.00 -3.46 0.86 2.35 0.37 -3.40 115.58 113.10 1a63 h ASN 8 Ca 0.15 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.30 1a63 h ASN 8 Cb 0.47 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.74 1a63 h ASN 8 CO 0.02 0.00 0.41 -0.89 -1.65 0.00 0.00 177.43 175.32 1a63 s THR 9 N -3.87 4.76 0.79 2.81 2.01 -0.70 -5.04 115.64 116.40 1a63 s THR 9 Ca -0.02 1.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 1a63 s THR 9 Cb 0.11 -4.18 0.06 0.00 0.01 0.00 0.00 72.50 68.49 1a63 s THR 9 CO 0.40 -0.31 1.10 -0.81 -0.69 0.00 0.00 174.62 174.30 1a63 n PRO 10 N 6.30 0.29 -0.33 4.92 -0.04 -1.26 -4.40 135.00 140.48 1a63 n PRO 10 Ca 0.04 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 1a63 n PRO 10 Cb 0.48 -2.35 0.12 0.00 -0.04 0.00 0.00 33.50 31.71 1a63 n PRO 10 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1a63 h VAL 11 N -0.70 0.08 -0.80 0.52 3.04 -1.94 0.40 116.25 116.84 1a63 h VAL 11 Ca -0.47 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.25 1a63 h VAL 11 Cb 1.31 0.08 -0.05 0.00 -2.01 0.00 0.00 31.29 30.62 1a63 h VAL 11 CO 0.46 0.00 0.52 -1.28 -1.01 0.00 0.00 177.57 176.26 1a63 h SER 12 N -0.00 0.87 0.56 3.17 0.87 -1.98 0.31 113.55 117.34 1a63 h SER 12 Ca 0.44 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.92 1a63 h SER 12 Cb 0.67 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1a63 h SER 12 CO -0.95 0.60 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.27 1a63 h GLU 13 N 1.02 0.00 -0.26 2.24 4.39 -0.62 -0.82 114.58 120.53 1a63 h GLU 13 Ca 0.32 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.84 1a63 h GLU 13 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1a63 h GLU 13 CO -0.10 0.36 -0.54 -0.07 -1.16 0.00 0.00 179.01 177.49 1a63 h LEU 14 N 0.00 0.92 -0.47 1.33 3.38 0.52 -0.46 115.31 120.52 1a63 h LEU 14 Ca -0.00 -0.55 -0.12 0.00 0.09 0.00 0.00 57.88 57.30 1a63 h LEU 14 Cb 0.73 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1a63 h LEU 14 CO 0.05 1.30 -0.19 0.40 0.09 0.00 0.00 178.44 180.08 1a63 h ILE 15 N 0.58 1.27 -0.48 1.22 5.03 -0.55 -0.67 117.51 123.91 1a63 h ILE 15 Ca 0.01 -1.35 -0.08 0.00 -0.12 0.00 0.00 64.86 63.32 1a63 h ILE 15 Cb 1.15 1.13 -0.02 0.00 -3.03 0.00 0.00 36.82 36.05 1a63 h ILE 15 CO 0.12 0.46 -0.01 0.74 -0.68 0.00 0.00 178.15 178.78 1a63 h THR 16 N 0.82 1.25 -0.40 -0.27 2.02 -1.10 -0.22 112.91 115.00 1a63 h THR 16 Ca 0.11 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1a63 h THR 16 Cb 0.76 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1a63 h THR 16 CO 0.06 0.36 0.16 0.25 0.37 0.00 0.00 175.52 176.73 1a63 h LEU 17 N 0.75 0.55 -0.60 2.58 5.85 -0.83 -0.81 115.31 122.81 1a63 h LEU 17 Ca 0.14 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a63 h LEU 17 Cb 0.48 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1a63 h LEU 17 CO 0.02 0.57 0.36 1.23 -0.34 0.00 0.00 178.44 180.28 1a63 h GLY 18 N 0.50 0.87 0.88 3.75 0.00 -0.76 -0.98 103.07 107.33 1a63 h GLY 18 Ca 0.13 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.16 1a63 h GLY 18 CO -0.01 0.35 0.59 1.05 0.00 0.00 0.00 176.54 178.52 1a63 h GLU 19 N 0.81 1.03 0.00 4.80 -0.00 0.12 0.63 114.58 121.96 1a63 h GLU 19 Ca 0.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.50 1a63 h GLU 19 Cb -0.01 -0.23 -0.00 0.00 -0.00 0.00 0.00 28.75 28.50 1a63 h GLU 19 CO -0.04 0.68 -0.04 -0.91 -0.00 0.00 0.00 179.01 178.70 1a63 h ASN 20 N 1.06 0.00 -0.68 3.06 4.21 0.18 -1.36 115.58 122.06 1a63 h ASN 20 Ca 0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.89 1a63 h ASN 20 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1a63 h ASN 20 CO -0.14 0.04 0.00 0.23 -1.29 0.00 0.00 177.43 176.27 1a63 n MET 21 N -4.11 3.00 0.00 0.81 2.81 0.13 -4.94 117.12 114.82 1a63 n MET 21 Ca -0.03 -2.67 0.00 0.00 -1.81 0.00 0.00 57.70 53.19 1a63 n MET 21 Cb 0.13 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1a63 n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a63 n GLY 22 N 1.40 3.13 3.56 3.03 0.00 -0.04 -5.00 105.19 111.25 1a63 n GLY 22 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1a63 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a63 s LEU 23 N 0.00 3.33 0.42 0.99 1.02 0.17 -4.82 118.68 119.79 1a63 s LEU 23 Ca 0.00 -0.90 0.07 0.00 0.02 0.00 0.00 54.13 53.32 1a63 s LEU 23 Cb 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 46.19 43.61 1a63 s LEU 23 CO 0.00 -1.76 0.25 -1.61 0.02 0.00 0.00 176.35 173.25 1a63 s GLU 24 N 5.51 2.32 -0.76 1.70 2.02 -1.26 -0.32 118.70 127.91 1a63 s GLU 24 Ca 0.44 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1a63 s GLU 24 Cb -0.04 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.09 1a63 s GLU 24 CO 0.02 -0.16 0.00 -1.71 0.02 0.00 0.00 175.26 173.43 1a63 n ASN 25 N -1.35 -4.22 0.00 -0.19 2.85 -1.26 -4.88 115.26 106.20 1a63 n ASN 25 Ca 0.00 0.18 0.12 0.00 -0.11 0.00 0.00 54.58 54.77 1a63 n ASN 25 Cb 0.64 -2.35 0.63 0.00 1.24 0.00 0.00 39.78 39.94 1a63 n ASN 25 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1a63 n LEU 26 N -0.81 0.00 -0.39 1.20 4.77 -1.26 -3.71 117.00 116.80 1a63 n LEU 26 Ca -0.07 0.30 0.37 0.00 -0.03 0.00 0.00 56.01 56.58 1a63 n LEU 26 Cb 0.29 -0.30 0.73 0.00 -2.33 0.00 0.00 43.42 41.81 1a63 n LEU 26 CO 0.11 -0.05 1.33 0.00 -1.33 0.00 0.00 177.39 177.45 1a63 h ALA 27 N 3.18 3.10 -0.00 -1.18 0.00 -1.96 2.46 119.26 124.87 1a63 h ALA 27 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a63 h ALA 27 Cb 0.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a63 h ALA 27 CO 0.00 -1.51 -0.00 0.54 0.00 0.00 0.00 179.25 178.28 1a63 n ARG 28 N -4.23 0.35 -3.99 0.00 1.74 -1.24 -4.84 116.66 104.44 1a63 n ARG 28 Ca 0.29 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.14 1a63 n ARG 28 Cb 1.33 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 31.25 1a63 n ARG 28 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1a63 s MET 29 N -2.66 3.35 0.66 5.56 -1.94 0.83 -5.12 119.30 119.98 1a63 s MET 29 Ca 0.26 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.44 1a63 s MET 29 Cb 0.20 -2.85 0.07 0.00 2.01 0.00 0.00 34.83 34.26 1a63 s MET 29 CO 0.48 0.45 0.93 0.50 -0.01 0.00 0.00 175.02 177.36 1a63 s ARG 30 N -3.76 2.15 0.20 2.03 3.52 -1.26 -4.87 118.95 116.96 1a63 s ARG 30 Ca 0.34 -0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 55.18 1a63 s ARG 30 Cb -0.09 -2.31 0.15 0.00 -1.56 0.00 0.00 34.95 31.13 1a63 s ARG 30 CO 0.28 -1.13 1.86 1.57 -0.81 0.00 0.00 175.30 177.07 1a63 h LYS 31 N -0.37 0.98 0.64 5.12 2.10 -1.96 -0.38 116.57 122.70 1a63 h LYS 31 Ca -0.42 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.13 1a63 h LYS 31 Cb 1.29 -0.21 0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1a63 h LYS 31 CO 0.52 0.68 -0.31 -0.56 -2.00 0.00 0.00 179.45 177.78 1a63 h GLN 32 N 1.00 -0.83 -0.41 0.07 -0.00 -2.00 -0.27 115.11 112.67 1a63 h GLN 32 Ca 0.27 0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.89 1a63 h GLN 32 Cb -0.07 0.19 -0.02 0.00 -0.00 0.00 0.00 27.48 27.58 1a63 h GLN 32 CO -0.05 -0.54 -0.07 0.38 -0.00 0.00 0.00 178.83 178.54 1a63 h ASP 33 N -0.89 0.68 -0.81 0.06 3.04 -1.95 -1.74 116.42 114.81 1a63 h ASP 33 Ca -0.09 -0.18 -0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1a63 h ASP 33 Cb 0.67 -0.18 -0.04 0.00 -1.04 0.00 0.00 39.33 38.74 1a63 h ASP 33 CO 0.14 0.79 0.49 0.40 -2.04 0.00 0.00 179.24 179.03 1a63 h ILE 34 N 0.64 1.23 -0.02 4.15 2.04 -0.89 -1.69 117.51 122.96 1a63 h ILE 34 Ca 0.12 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1a63 h ILE 34 Cb 0.51 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1a63 h ILE 34 CO 0.03 0.24 -0.02 0.40 0.00 0.00 0.00 178.15 178.80 1a63 h ILE 35 N 1.12 0.95 -0.91 -0.67 2.04 -0.17 -1.49 117.51 118.38 1a63 h ILE 35 Ca 0.29 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.33 1a63 h ILE 35 Cb -0.05 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 1a63 h ILE 35 CO -0.06 0.00 0.50 -0.26 0.00 0.00 0.00 178.15 178.33 1a63 h PHE 36 N -0.03 0.87 0.27 1.37 0.04 -0.86 0.83 116.94 119.43 1a63 h PHE 36 Ca 0.01 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1a63 h PHE 36 Cb 0.05 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 37.95 1a63 h PHE 36 CO -0.10 0.17 -0.13 0.00 -0.60 0.00 0.00 178.31 177.65 1a63 h ALA 37 N 1.61 -0.37 -0.33 2.45 0.00 -0.58 -1.21 119.26 120.83 1a63 h ALA 37 Ca 0.52 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1a63 h ALA 37 Cb 0.80 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1a63 h ALA 37 CO -0.39 -0.62 0.30 0.82 0.00 0.00 0.00 179.25 179.36 1a63 h ILE 38 N -0.54 0.58 -0.22 0.00 2.04 -0.18 0.88 117.51 120.07 1a63 h ILE 38 Ca -0.04 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 1a63 h ILE 38 Cb 0.40 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1a63 h ILE 38 CO 0.06 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.72 1a63 h LEU 39 N 0.00 0.76 -0.73 1.44 3.38 -0.12 -0.06 115.31 119.98 1a63 h LEU 39 Ca 0.16 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1a63 h LEU 39 Cb 0.75 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1a63 h LEU 39 CO -0.00 1.16 0.22 0.11 0.09 0.00 0.00 178.44 180.02 1a63 h LYS 40 N 0.39 1.14 0.06 1.13 1.57 0.26 0.36 116.57 121.49 1a63 h LYS 40 Ca 0.01 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1a63 h LYS 40 Cb 1.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1a63 h LYS 40 CO 0.10 0.98 -0.03 1.96 -0.57 0.00 0.00 179.45 181.88 1a63 h GLN 41 N 1.09 -0.08 -0.48 3.15 7.50 -1.03 0.22 115.11 125.48 1a63 h GLN 41 Ca 0.24 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.38 1a63 h GLN 41 Cb 0.32 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 1a63 h GLN 41 CO -0.01 0.49 0.25 1.25 -1.50 0.00 0.00 178.83 179.32 1a63 h HIS 42 N -0.88 0.65 0.05 2.96 2.76 -1.05 -2.53 115.15 117.11 1a63 h HIS 42 Ca -0.01 -0.01 -0.24 0.00 -2.20 0.00 0.00 60.37 57.91 1a63 h HIS 42 Cb 0.62 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1a63 h HIS 42 CO 0.14 0.47 -1.18 0.00 -1.30 0.00 0.00 177.93 176.06 1a63 h ALA 43 N 1.60 0.29 -0.53 5.26 0.00 -0.99 -3.18 119.26 121.72 1a63 h ALA 43 Ca 0.17 -0.96 0.11 0.00 0.00 0.00 0.00 54.91 54.23 1a63 h ALA 43 Cb 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1a63 h ALA 43 CO -0.03 1.18 -0.15 -0.22 0.00 0.00 0.00 179.25 180.03 1a63 h LYS 44 N 0.03 -0.02 0.00 0.00 3.11 -0.10 2.48 116.57 122.07 1a63 h LYS 44 Ca -0.09 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1a63 h LYS 44 Cb 1.87 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1a63 h LYS 44 CO 0.15 -0.01 0.00 0.43 -2.81 0.00 0.00 179.45 177.21 1a63 n SER 45 N -5.39 0.00 -2.09 4.20 7.64 -1.17 -4.83 113.62 111.98 1a63 n SER 45 Ca 0.05 0.45 -0.17 0.00 1.01 0.00 0.00 58.87 60.21 1a63 n SER 45 Cb 0.29 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.03 1a63 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a63 n GLY 46 N -0.65 -0.29 3.93 0.23 0.00 0.84 -5.00 105.19 104.25 1a63 n GLY 46 Ca 0.02 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1a63 n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a63 s GLU 47 N -5.08 2.67 0.26 1.61 -1.05 -1.20 -4.99 118.70 110.93 1a63 s GLU 47 Ca 0.10 -0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.42 1a63 s GLU 47 Cb -0.04 -2.28 -0.13 0.00 -0.44 0.00 0.00 34.13 31.23 1a63 s GLU 47 CO 0.12 -0.84 1.38 -0.25 0.95 0.00 0.00 175.26 176.63 1a63 n ASP 48 N -2.63 2.78 -3.78 0.83 9.92 -1.26 -4.81 116.55 117.61 1a63 n ASP 48 Ca 0.06 1.16 -0.13 0.00 -0.53 0.00 0.00 54.79 55.35 1a63 n ASP 48 Cb 0.59 -1.45 -0.12 0.00 -0.64 0.00 0.00 41.12 39.50 1a63 n ASP 48 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1a63 s ILE 49 N -0.29 -0.01 0.13 0.53 -4.36 -1.26 -4.80 121.20 111.14 1a63 s ILE 49 Ca 0.65 0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 61.02 1a63 s ILE 49 Cb -0.62 -0.35 -0.02 0.00 1.25 0.00 0.00 42.46 42.72 1a63 s ILE 49 CO 0.52 0.01 0.16 0.72 0.24 0.00 0.00 174.94 176.60 1a63 s PHE 50 N 0.38 0.54 0.36 1.37 -0.71 0.11 -3.05 117.98 116.98 1a63 s PHE 50 Ca -0.02 -0.94 0.09 0.00 -1.04 0.00 0.00 56.93 55.02 1a63 s PHE 50 Cb -0.04 -0.24 -0.07 0.00 -1.21 0.00 0.00 43.02 41.47 1a63 s PHE 50 CO -0.02 -0.59 -0.05 0.20 -1.34 0.00 0.00 175.22 173.42 1a63 s GLY 51 N -2.98 2.25 0.02 1.99 0.00 -0.27 -0.92 107.32 107.42 1a63 s GLY 51 Ca 0.17 -2.12 -0.29 0.00 0.00 0.00 0.00 44.72 42.48 1a63 s GLY 51 CO -0.02 -2.02 1.14 0.51 0.00 0.00 0.00 173.10 172.71 1a63 s ASP 52 N -3.66 -0.13 0.00 1.64 -4.77 -1.26 -1.48 116.67 107.01 1a63 s ASP 52 Ca 0.34 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.39 1a63 s ASP 52 Cb 0.04 0.29 0.00 0.00 -1.09 0.00 0.00 42.92 42.15 1a63 s ASP 52 CO 0.17 -0.52 0.00 0.61 0.70 0.00 0.00 175.17 176.14 1a63 n GLY 53 N -0.42 0.39 2.94 2.12 0.00 -0.40 -4.40 105.19 105.43 1a63 n GLY 53 Ca -0.07 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 1a63 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a63 s VAL 54 N -2.87 1.16 0.94 1.61 1.01 -0.31 -1.14 120.40 120.80 1a63 s VAL 54 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1a63 s VAL 54 Cb 0.00 -1.15 0.16 0.00 0.00 0.00 0.00 36.38 35.39 1a63 s VAL 54 CO 0.00 0.39 1.11 -0.76 0.00 0.00 0.00 175.10 175.84 1a63 s LEU 55 N 1.59 2.40 -0.05 3.92 1.43 -0.03 -3.33 118.68 124.61 1a63 s LEU 55 Ca 0.04 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.06 1a63 s LEU 55 Cb -0.13 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.86 1a63 s LEU 55 CO -0.08 -3.15 0.03 -0.70 0.23 0.00 0.00 176.35 172.68 1a63 s GLU 56 N -4.67 0.23 0.60 1.70 2.12 0.54 0.93 118.70 120.15 1a63 s GLU 56 Ca 0.66 0.25 -0.09 0.00 0.36 0.00 0.00 54.97 56.15 1a63 s GLU 56 Cb -0.22 -0.71 -0.02 0.00 0.26 0.00 0.00 34.13 33.44 1a63 s GLU 56 CO 0.59 -0.31 0.97 0.42 -0.54 0.00 0.00 175.26 176.39 1a63 s ILE 57 N 2.04 4.37 -0.02 -3.70 -1.09 -1.26 -1.08 121.20 120.46 1a63 s ILE 57 Ca 0.04 0.53 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1a63 s ILE 57 Cb -0.12 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1a63 s ILE 57 CO -0.04 -0.89 -0.11 -0.76 -1.23 0.00 0.00 174.94 171.91 1a63 s LEU 58 N -5.09 1.88 0.42 2.97 1.02 0.54 -4.88 118.68 115.54 1a63 s LEU 58 Ca 0.54 -0.22 0.31 0.00 0.02 0.00 0.00 54.13 54.77 1a63 s LEU 58 Cb -0.11 -0.63 1.45 0.00 0.02 0.00 0.00 46.19 46.92 1a63 s LEU 58 CO 0.50 0.10 1.54 1.67 0.02 0.00 0.00 176.35 180.18 1a63 n GLN 59 N 3.11 -0.04 0.00 1.70 7.27 -1.26 0.17 117.38 128.33 1a63 n GLN 59 Ca -0.17 1.25 0.01 0.00 0.07 0.00 0.00 57.00 58.16 1a63 n GLN 59 Cb 0.55 -2.43 0.05 0.00 2.41 0.00 0.00 30.24 30.82 1a63 n GLN 59 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1a63 n ASP 60 N -4.74 0.00 0.00 1.69 8.00 -1.26 -4.79 116.55 115.44 1a63 n ASP 60 Ca 0.39 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1a63 n ASP 60 Cb 1.51 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 1a63 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a63 n GLY 61 N -1.10 0.70 3.29 0.44 0.00 0.45 -5.05 105.19 103.92 1a63 n GLY 61 Ca 0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1a63 n GLY 61 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1a63 n PHE 62 N -2.59 0.38 -3.85 1.61 1.16 -1.23 -3.88 117.46 109.06 1a63 n PHE 62 Ca 0.00 -2.49 -0.09 0.00 -1.87 0.00 0.00 57.45 53.00 1a63 n PHE 62 Cb 0.00 -0.08 -0.04 0.00 -1.61 0.00 0.00 39.48 37.75 1a63 n PHE 62 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1a63 s GLY 63 N -3.48 0.09 0.09 4.97 0.00 0.16 -0.34 107.32 108.82 1a63 s GLY 63 Ca 0.15 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.49 1a63 s GLY 63 CO 0.11 -0.31 -0.16 -1.36 0.00 0.00 0.00 173.10 171.38 1a63 s PHE 64 N -3.93 1.39 0.15 1.90 0.40 -0.24 -0.01 117.98 117.65 1a63 s PHE 64 Ca 0.14 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1a63 s PHE 64 Cb -0.03 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.70 1a63 s PHE 64 CO 0.04 0.11 0.32 -1.17 0.70 0.00 0.00 175.22 175.22 1a63 s LEU 65 N -1.96 4.30 0.00 -0.37 0.20 -0.30 -0.34 118.68 120.22 1a63 s LEU 65 Ca 0.03 0.28 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1a63 s LEU 65 Cb -0.09 -3.03 0.00 0.00 -0.43 0.00 0.00 46.19 42.65 1a63 s LEU 65 CO 0.03 0.03 0.00 -2.11 -0.29 0.00 0.00 176.35 174.01 1a63 n ARG 66 N -0.44 0.00 0.00 1.98 1.85 -1.21 -1.29 116.66 117.54 1a63 n ARG 66 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1a63 n ARG 66 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1a63 n ARG 66 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1a63 n SER 67 N 0.00 0.00 -0.00 2.89 7.64 -1.26 -1.16 113.62 121.72 1a63 n SER 67 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1a63 n SER 67 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1a63 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a63 n ALA 68 N -3.00 2.14 -1.00 -0.43 0.00 -1.26 -3.24 120.51 113.72 1a63 n ALA 68 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1a63 n ALA 68 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1a63 n ALA 68 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a63 n ASP 69 N -1.30 0.00 0.00 0.00 5.75 -1.26 -5.07 116.55 114.67 1a63 n ASP 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1a63 n ASP 69 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a63 n SER 70 N 0.00 0.58 0.00 -1.12 7.64 -1.26 -5.04 113.62 114.42 1a63 n SER 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a63 n SER 70 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a63 n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a63 n SER 71 N 0.00 0.00 0.00 6.43 7.64 -1.26 -4.99 113.62 121.44 1a63 n SER 71 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a63 n SER 71 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a63 n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1a63 n TYR 72 N 0.00 0.00 -2.98 1.43 4.01 -1.26 -4.87 117.16 113.49 1a63 n TYR 72 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1a63 n TYR 72 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1a63 n TYR 72 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1a63 n LEU 73 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.12 117.00 123.11 1a63 n LEU 73 Ca 0.00 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1a63 n LEU 73 Cb 0.00 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1a63 n LEU 73 CO 0.00 -0.71 0.00 0.00 -1.33 0.00 0.00 177.39 175.35 1a63 n ALA 74 N -2.48 0.00 -3.54 -1.18 0.00 -1.26 -5.12 120.51 106.92 1a63 n ALA 74 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1a63 n ALA 74 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1a63 n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a63 s GLY 75 N -0.07 -0.38 0.19 0.00 0.00 -1.26 -5.03 107.32 100.76 1a63 s GLY 75 Ca 0.00 1.59 -0.10 0.00 0.00 0.00 0.00 44.72 46.21 1a63 s GLY 75 CO 0.00 0.80 1.71 -0.56 0.00 0.00 0.00 173.10 175.05 1a63 h PRO 76 N 2.45 1.03 -0.19 2.90 0.13 -2.01 -2.96 132.00 133.35 1a63 h PRO 76 Ca -0.21 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1a63 h PRO 76 Cb 1.19 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1a63 h PRO 76 CO 0.32 0.91 0.00 -0.25 -0.23 0.00 0.00 178.00 178.75 1a63 n ASP 77 N -4.33 1.23 -3.09 1.44 8.00 -1.26 -4.87 116.55 113.68 1a63 n ASP 77 Ca 0.04 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1a63 n ASP 77 Cb 0.23 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1a63 n ASP 77 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1a63 n ASP 78 N 0.11 0.00 -3.81 -2.24 8.00 -1.12 -4.96 116.55 112.53 1a63 n ASP 78 Ca 0.11 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1a63 n ASP 78 Cb 0.22 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.18 1a63 n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a63 s ILE 79 N 0.00 -0.02 0.40 0.53 1.09 -0.42 -4.84 121.20 117.95 1a63 s ILE 79 Ca 0.00 0.07 -0.23 0.00 -1.10 0.00 0.00 60.65 59.39 1a63 s ILE 79 Cb 0.00 -0.15 -0.10 0.00 -1.06 0.00 0.00 42.46 41.15 1a63 s ILE 79 CO 0.00 0.03 0.99 -0.47 -0.10 0.00 0.00 174.94 175.38 1a63 s TYR 80 N 0.43 3.36 -0.13 3.97 6.14 -0.24 -1.14 117.35 129.73 1a63 s TYR 80 Ca -0.03 1.66 -0.04 0.00 0.64 0.00 0.00 57.07 59.30 1a63 s TYR 80 Cb -0.05 -2.97 0.06 0.00 0.42 0.00 0.00 41.96 39.43 1a63 s TYR 80 CO -0.02 -0.25 0.17 0.08 0.64 0.00 0.00 175.55 176.17 1a63 s VAL 81 N -1.87 -0.25 0.77 3.14 1.01 0.98 -0.72 120.40 123.47 1a63 s VAL 81 Ca 0.58 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1a63 s VAL 81 Cb -0.16 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 35.84 1a63 s VAL 81 CO 0.21 -0.01 1.09 -0.44 0.00 0.00 0.00 175.10 175.94 1a63 s SER 82 N 2.28 4.68 0.03 3.32 0.01 -1.26 -0.66 113.70 122.10 1a63 s SER 82 Ca 0.04 1.41 -0.25 0.00 1.31 0.00 0.00 55.95 58.46 1a63 s SER 82 Cb -0.14 -2.18 -0.18 0.00 0.21 0.00 0.00 66.02 63.74 1a63 s SER 82 CO -0.08 -1.86 1.43 1.55 0.41 0.00 0.00 173.24 174.69 1a63 h PRO 83 N -1.01 -0.16 -1.01 12.44 0.13 -1.92 -1.43 132.00 139.04 1a63 h PRO 83 Ca -0.46 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 64.95 1a63 h PRO 83 Cb 1.25 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 1a63 h PRO 83 CO 0.58 0.11 0.59 0.66 -0.23 0.00 0.00 178.00 179.71 1a63 h SER 84 N -0.44 0.62 0.90 1.44 4.64 -1.94 2.07 113.55 120.85 1a63 h SER 84 Ca -0.02 0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1a63 h SER 84 Cb 0.35 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1a63 h SER 84 CO 0.03 0.03 -0.43 1.56 -0.87 0.00 0.00 176.83 177.15 1a63 h GLN 85 N 0.50 -1.16 0.17 4.77 1.08 -1.78 2.03 115.11 120.71 1a63 h GLN 85 Ca 0.67 0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.97 1a63 h GLN 85 Cb 1.38 0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 29.04 1a63 h GLN 85 CO -0.52 -0.77 -0.29 0.82 -0.95 0.00 0.00 178.83 177.13 1a63 h ILE 86 N -1.32 0.38 -0.78 2.54 2.04 0.24 -2.15 117.51 118.46 1a63 h ILE 86 Ca -0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1a63 h ILE 86 Cb 0.92 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1a63 h ILE 86 CO 0.20 0.00 0.48 -0.09 0.00 0.00 0.00 178.15 178.74 1a63 h ARG 87 N -0.53 0.86 -0.82 2.37 9.65 0.33 0.44 114.38 126.67 1a63 h ARG 87 Ca 0.02 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1a63 h ARG 87 Cb 0.54 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1a63 h ARG 87 CO -0.14 0.57 0.54 0.00 2.80 0.00 0.00 179.97 183.74 1a63 h ARG 88 N 0.88 1.04 -0.35 0.20 2.47 0.39 -2.85 114.38 116.16 1a63 h ARG 88 Ca 0.34 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1a63 h ARG 88 Cb 0.14 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1a63 h ARG 88 CO -0.16 0.69 0.00 1.19 0.56 0.00 0.00 179.97 182.24 1a63 n PHE 89 N -4.43 0.62 -3.20 3.04 3.72 -0.89 -4.98 117.46 111.35 1a63 n PHE 89 Ca 0.10 -0.59 -0.14 0.00 -0.05 0.00 0.00 57.45 56.77 1a63 n PHE 89 Cb 0.07 -0.10 0.07 0.00 -0.94 0.00 0.00 39.48 38.58 1a63 n PHE 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1a63 n ASN 90 N 0.34 -3.44 -1.98 4.37 4.05 0.04 -5.02 115.26 113.62 1a63 n ASN 90 Ca 0.15 -0.58 0.00 0.00 0.45 0.00 0.00 54.58 54.60 1a63 n ASN 90 Cb 0.55 -4.64 0.00 0.00 1.23 0.00 0.00 39.78 36.92 1a63 n ASN 90 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1a63 n LEU 91 N -3.52 0.00 -3.53 1.20 4.77 -0.58 -5.03 117.00 110.31 1a63 n LEU 91 Ca -0.19 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 1a63 n LEU 91 Cb 0.64 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1a63 n LEU 91 CO 0.54 -0.47 0.41 -0.13 -1.33 0.00 0.00 177.39 176.41 1a63 s ARG 92 N -2.30 1.40 0.76 3.23 0.52 -1.26 -4.92 118.95 116.37 1a63 s ARG 92 Ca 0.00 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.48 1a63 s ARG 92 Cb 0.00 0.59 0.05 0.00 0.52 0.00 0.00 34.95 36.12 1a63 s ARG 92 CO 0.00 -0.62 1.15 -0.08 0.02 0.00 0.00 175.30 175.77 1a63 s THR 93 N -3.79 2.68 0.00 0.02 -1.32 -1.26 -1.59 115.64 110.38 1a63 s THR 93 Ca 0.03 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1a63 s THR 93 Cb -0.02 -2.72 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1a63 s THR 93 CO -0.08 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 1a63 n GLY 94 N -0.17 2.42 3.76 6.08 0.00 0.26 -4.91 105.19 112.64 1a63 n GLY 94 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1a63 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a63 s ASP 95 N -3.53 5.72 -0.25 1.61 1.11 -0.62 -4.63 116.67 116.07 1a63 s ASP 95 Ca 0.00 2.42 -0.20 0.00 0.18 0.00 0.00 52.55 54.96 1a63 s ASP 95 Cb 0.00 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 1a63 s ASP 95 CO 0.00 -1.23 0.59 -0.89 1.18 0.00 0.00 175.17 174.82 1a63 s THR 96 N -1.51 5.02 0.19 -1.27 2.01 -1.26 -0.85 115.64 117.96 1a63 s THR 96 Ca 0.69 1.05 -0.05 0.00 0.31 0.00 0.00 61.69 63.69 1a63 s THR 96 Cb -0.31 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1a63 s THR 96 CO 0.37 0.06 0.22 -0.63 -0.69 0.00 0.00 174.62 173.94 1a63 s ILE 97 N 2.38 0.04 -0.14 1.82 1.01 -0.30 -0.75 121.20 125.26 1a63 s ILE 97 Ca 0.25 -1.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.06 1a63 s ILE 97 Cb -0.16 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1a63 s ILE 97 CO 0.09 -0.17 0.36 -0.94 0.00 0.00 0.00 174.94 174.28 1a63 s SER 98 N -3.06 -0.39 0.29 3.58 1.04 -0.93 -1.27 113.70 112.95 1a63 s SER 98 Ca 0.27 0.74 -0.19 0.00 0.48 0.00 0.00 55.95 57.26 1a63 s SER 98 Cb 0.05 0.73 0.07 0.00 0.10 0.00 0.00 66.02 66.97 1a63 s SER 98 CO 0.06 -0.14 0.92 -0.83 0.98 0.00 0.00 173.24 174.24 1a63 s GLY 99 N 0.37 0.26 0.26 7.32 0.00 -0.55 -0.62 107.32 114.35 1a63 s GLY 99 Ca -0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.01 1a63 s GLY 99 CO -0.01 1.17 0.64 0.54 0.00 0.00 0.00 173.10 175.44 1a63 s LYS 100 N -2.18 3.95 0.15 2.90 -0.14 -0.34 -1.11 119.74 122.97 1a63 s LYS 100 Ca 0.19 0.52 0.09 0.00 -1.36 0.00 0.00 55.97 55.41 1a63 s LYS 100 Cb -0.04 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1a63 s LYS 100 CO 0.08 0.28 -0.20 0.96 -0.76 0.00 0.00 175.35 175.72 1a63 s ILE 101 N -1.82 1.84 0.04 2.17 -4.36 -1.17 -0.56 121.20 117.34 1a63 s ILE 101 Ca 0.49 -1.82 -0.27 0.00 -0.26 0.00 0.00 60.65 58.79 1a63 s ILE 101 Cb -0.12 -1.78 0.07 0.00 1.25 0.00 0.00 42.46 41.88 1a63 s ILE 101 CO 0.19 -0.22 0.65 -0.60 0.24 0.00 0.00 174.94 175.21 1a63 s ARG 102 N -2.52 1.14 -0.23 0.37 3.52 -0.38 -4.83 118.95 116.02 1a63 s ARG 102 Ca 0.13 -0.07 0.15 0.00 -0.13 0.00 0.00 55.73 55.81 1a63 s ARG 102 Cb -0.07 0.53 0.74 0.00 -1.56 0.00 0.00 34.95 34.59 1a63 s ARG 102 CO 0.06 -0.43 1.66 -0.35 -0.81 0.00 0.00 175.30 175.43 1a63 n PRO 103 N 0.33 4.27 -0.31 5.12 -0.04 -1.26 -1.55 135.00 141.56 1a63 n PRO 103 Ca -0.18 -3.08 -0.03 0.00 -0.04 0.00 0.00 63.50 60.18 1a63 n PRO 103 Cb 0.61 -2.15 0.01 0.00 -0.04 0.00 0.00 33.50 31.93 1a63 n PRO 103 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a63 n PRO 104 N 0.24 1.13 0.00 0.54 -0.04 -1.26 -4.55 135.00 131.05 1a63 n PRO 104 Ca 0.27 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1a63 n PRO 104 Cb 1.12 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1a63 n PRO 104 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a63 n LYS 105 N 0.76 0.00 0.13 0.54 2.85 -1.26 -4.94 118.16 116.23 1a63 n LYS 105 Ca 0.05 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.38 1a63 n LYS 105 Cb 0.56 0.00 0.33 0.00 -0.65 0.00 0.00 35.03 35.28 1a63 n LYS 105 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1a63 n GLU 106 N 0.00 0.08 -0.28 -1.58 -0.58 -1.26 -2.80 120.64 114.23 1a63 n GLU 106 Ca 0.00 0.54 -0.01 0.00 -0.42 0.00 0.00 57.16 57.27 1a63 n GLU 106 Cb 0.00 -1.96 -0.01 0.00 -0.57 0.00 0.00 31.44 28.90 1a63 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a63 n GLY 107 N -1.30 1.55 3.90 0.62 0.00 -1.26 -4.84 105.19 103.86 1a63 n GLY 107 Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1a63 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a63 s GLU 108 N 1.17 2.92 0.00 1.61 -6.30 -1.12 -4.06 118.70 112.92 1a63 s GLU 108 Ca 0.05 0.19 0.00 0.00 -2.50 0.00 0.00 54.97 52.70 1a63 s GLU 108 Cb 0.02 -2.18 0.00 0.00 0.00 0.00 0.00 34.13 31.98 1a63 s GLU 108 CO 0.00 -0.81 0.00 -2.13 0.02 0.00 0.00 175.26 172.34 1a63 n ARG 109 N -2.74 0.00 -4.18 4.30 3.00 -1.26 -4.71 116.66 111.07 1a63 n ARG 109 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.59 1a63 n ARG 109 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.95 1a63 n ARG 109 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1a63 s TYR 110 N 0.00 3.09 0.84 -0.14 2.02 -1.26 -5.10 117.35 116.80 1a63 s TYR 110 Ca 0.00 0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.65 1a63 s TYR 110 Cb 0.00 -1.63 0.09 0.00 -0.40 0.00 0.00 41.96 40.03 1a63 s TYR 110 CO 0.00 0.48 1.10 -0.06 -1.57 0.00 0.00 175.55 175.50 1a63 s PHE 111 N -1.21 2.35 0.18 2.71 0.40 -1.26 -4.59 117.98 116.56 1a63 s PHE 111 Ca 0.23 1.49 0.10 0.00 -0.60 0.00 0.00 56.93 58.16 1a63 s PHE 111 Cb -0.12 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 1a63 s PHE 111 CO 0.15 -2.15 -0.21 0.00 0.70 0.00 0.00 175.22 173.71 1a63 s ALA 112 N -2.87 2.31 0.49 5.36 0.00 -0.60 -1.08 121.76 125.38 1a63 s ALA 112 Ca 0.63 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.78 1a63 s ALA 112 Cb -0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1a63 s ALA 112 CO 0.57 0.34 1.33 -1.17 0.00 0.00 0.00 175.76 176.83 1a63 s LEU 113 N -2.68 3.98 0.07 0.00 2.96 0.10 -1.25 118.68 121.85 1a63 s LEU 113 Ca 0.19 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 1a63 s LEU 113 Cb -0.07 -4.15 0.00 0.00 0.50 0.00 0.00 46.19 42.47 1a63 s LEU 113 CO 0.09 -1.29 0.00 -0.11 -1.32 0.00 0.00 176.35 173.71 1a63 n LEU 114 N -0.62 0.48 -4.18 -0.68 7.94 0.28 -4.65 117.00 115.56 1a63 n LEU 114 Ca 0.08 0.11 -0.23 0.00 -1.11 0.00 0.00 56.01 54.86 1a63 n LEU 114 Cb 0.45 -0.11 -0.14 0.00 0.53 0.00 0.00 43.42 44.15 1a63 n LEU 114 CO 0.53 -0.45 -0.49 -0.75 -1.11 0.00 0.00 177.39 175.12 1a63 s LYS 115 N -2.00 1.16 -0.13 1.96 2.47 -0.98 -4.94 119.74 117.29 1a63 s LYS 115 Ca 0.00 -0.78 -0.17 0.00 -1.56 0.00 0.00 55.97 53.46 1a63 s LYS 115 Cb 0.00 -1.20 -0.04 0.00 -1.46 0.00 0.00 37.83 35.13 1a63 s LYS 115 CO 0.00 0.31 0.42 0.08 0.16 0.00 0.00 175.35 176.32 1a63 s VAL 116 N -0.73 5.22 -0.16 4.02 1.01 -1.26 -1.19 120.40 127.31 1a63 s VAL 116 Ca 0.05 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1a63 s VAL 116 Cb -0.08 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 1a63 s VAL 116 CO 0.01 0.34 -0.12 0.59 0.00 0.00 0.00 175.10 175.92 1a63 n ASN 117 N 3.67 2.65 -3.97 3.32 3.02 0.21 -4.95 115.26 119.21 1a63 n ASN 117 Ca -0.08 -0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.31 1a63 n ASN 117 Cb 0.52 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.48 1a63 n ASN 117 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1a63 s GLU 118 N -2.32 0.66 -0.27 3.52 2.12 -0.73 -4.52 118.70 117.16 1a63 s GLU 118 Ca -0.20 -0.97 -0.17 0.00 0.36 0.00 0.00 54.97 53.99 1a63 s GLU 118 Cb 0.05 0.25 0.08 0.00 0.26 0.00 0.00 34.13 34.77 1a63 s GLU 118 CO 0.39 -0.16 0.68 0.08 -0.54 0.00 0.00 175.26 175.70 1a63 s VAL 119 N -3.38 -0.00 -1.35 3.70 1.01 -1.15 -2.20 120.40 117.03 1a63 s VAL 119 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1a63 s VAL 119 Cb 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1a63 s VAL 119 CO -0.08 0.00 0.89 0.59 0.00 0.00 0.00 175.10 176.50 1a63 n ASN 120 N 4.06 -2.88 -4.50 3.32 5.03 0.07 -1.94 115.26 118.42 1a63 n ASN 120 Ca -0.19 -0.74 -0.41 0.00 0.87 0.00 0.00 54.58 54.11 1a63 n ASN 120 Cb 0.58 -4.34 -0.08 0.00 -1.02 0.00 0.00 39.78 34.93 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1a63 n PHE 121 N -4.44 -1.23 -3.95 3.10 -0.00 -1.26 -4.86 117.46 104.82 1a63 n PHE 121 Ca -0.18 0.70 -0.10 0.00 -0.00 0.00 0.00 57.45 57.87 1a63 n PHE 121 Cb 0.62 -2.05 -0.03 0.00 -0.00 0.00 0.00 39.48 38.03 1a63 n PHE 121 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1a63 s ASP 122 N -3.35 0.12 0.59 -2.13 1.01 -0.82 -5.15 116.67 106.94 1a63 s ASP 122 Ca 0.76 -1.04 -0.16 0.00 0.71 0.00 0.00 52.55 52.82 1a63 s ASP 122 Cb -0.44 0.69 -0.04 0.00 1.01 0.00 0.00 42.92 44.14 1a63 s ASP 122 CO 1.02 -1.33 1.06 -1.59 0.21 0.00 0.00 175.17 174.53 1a63 s LYS 123 N -3.42 3.32 0.00 8.23 -2.85 -1.26 -2.96 119.74 120.81 1a63 s LYS 123 Ca 0.21 1.21 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 1a63 s LYS 123 Cb -0.03 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1a63 s LYS 123 CO 0.12 -0.81 0.60 -0.35 0.10 0.00 0.00 175.35 175.00 1a63 n PRO 124 N -2.01 0.93 0.00 1.78 -0.04 -1.26 -4.73 135.00 129.66 1a63 n PRO 124 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1a63 n PRO 124 Cb 0.53 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1a63 n PRO 124 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a63 n GLU 125 N 0.18 0.00 0.00 0.54 2.13 -1.26 -5.08 120.64 117.15 1a63 n GLU 125 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a63 n GLU 125 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 1a63 n GLU 125 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a63 n ASN 126 N 0.00 0.00 -0.59 4.31 2.85 -1.26 -4.95 115.26 115.62 1a63 n ASN 126 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1a63 n ASN 126 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a63 n ALA 127 N 0.00 2.04 -2.51 5.20 0.00 -1.26 -4.87 120.51 119.12 1a63 n ALA 127 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 53.44 52.21 1a63 n ALA 127 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 19.45 18.98 1a63 n ALA 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a63 n ARG 128 N 0.05 2.52 -0.85 0.00 1.74 -1.26 -5.10 116.66 113.76 1a63 n ARG 128 Ca 0.00 -3.92 -0.35 0.00 -0.77 0.00 0.00 57.85 52.81 1a63 n ARG 128 Cb 0.73 -1.86 0.10 0.00 -1.02 0.00 0.00 32.46 30.41 1a63 n ARG 128 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1a63 n ASN 129 N -0.41 -3.28 0.00 0.55 4.05 -1.26 -5.08 115.26 109.84 1a63 n ASN 129 Ca 0.26 0.12 0.00 0.00 0.45 0.00 0.00 54.58 55.41 1a63 n ASN 129 Cb 0.78 -0.91 0.00 0.00 1.23 0.00 0.00 39.78 40.88 1a63 n ASN 129 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50