#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 6.05 0.34 7.83 2.47 -1.22 0.66 114.94 131.07 1a63 s ASN 2 Ca 0.00 -0.17 0.14 0.00 0.42 0.00 0.00 52.86 53.25 1a63 s ASN 2 Cb 0.00 -2.55 1.10 0.00 -1.45 0.00 0.00 41.25 38.35 1a63 s ASN 2 CO 0.00 -1.87 1.60 -0.07 -3.72 0.00 0.00 177.10 173.04 1a63 h LEU 3 N 13.45 0.14 -1.33 3.21 -0.00 -1.37 1.67 115.31 131.08 1a63 h LEU 3 Ca -0.27 0.25 0.04 0.00 -0.00 0.00 0.00 57.88 57.89 1a63 h LEU 3 Cb 1.07 0.30 -0.04 0.00 -0.00 0.00 0.00 40.66 41.99 1a63 h LEU 3 CO 1.25 -0.34 0.48 0.74 -0.00 0.00 0.00 178.44 180.57 1a63 h THR 4 N 0.08 1.10 -0.11 0.22 2.02 -1.89 -0.42 112.91 113.91 1a63 h THR 4 Ca 0.74 -0.30 -0.09 0.00 0.77 0.00 0.00 66.41 67.53 1a63 h THR 4 Cb 1.80 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1a63 h THR 4 CO -0.76 0.16 -0.29 1.05 0.37 0.00 0.00 175.52 176.04 1a63 h GLU 5 N 0.87 0.39 -0.55 6.66 4.11 0.20 -0.76 114.58 125.50 1a63 h GLU 5 Ca 0.29 -0.28 0.11 0.00 0.07 0.00 0.00 59.36 59.55 1a63 h GLU 5 Cb 0.09 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 1a63 h GLU 5 CO -0.09 0.89 0.04 -0.07 0.07 0.00 0.00 179.01 179.86 1a63 h LEU 6 N -0.04 -0.15 -0.58 3.06 3.38 -0.32 0.12 115.31 120.77 1a63 h LEU 6 Ca -0.01 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1a63 h LEU 6 Cb 0.91 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1a63 h LEU 6 CO 0.06 -0.05 -0.08 0.11 0.09 0.00 0.00 178.44 178.57 1a63 h LYS 7 N 0.16 1.04 0.00 1.13 6.56 -1.06 -2.86 116.57 121.55 1a63 h LYS 7 Ca 0.28 -0.37 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 1a63 h LYS 7 Cb 0.43 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1a63 h LYS 7 CO -0.43 1.06 -0.14 -0.91 -2.06 0.00 0.00 179.45 176.97 1a63 h ASN 8 N 0.93 0.00 -3.01 0.86 2.35 0.50 -3.41 115.58 113.79 1a63 h ASN 8 Ca 0.15 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.34 1a63 h ASN 8 Cb 0.65 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1a63 h ASN 8 CO 0.04 0.14 0.78 -0.89 -1.65 0.00 0.00 177.43 175.86 1a63 s THR 9 N -4.65 4.22 0.67 2.81 2.01 0.23 -5.00 115.64 115.93 1a63 s THR 9 Ca -0.04 1.53 -0.17 0.00 0.31 0.00 0.00 61.69 63.32 1a63 s THR 9 Cb 0.16 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1a63 s THR 9 CO 0.68 -0.05 1.26 -2.16 -0.69 0.00 0.00 174.62 173.66 1a63 s PRO 10 N 2.66 2.44 0.26 4.92 0.04 -1.26 -4.60 135.00 139.46 1a63 s PRO 10 Ca 0.56 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 63.46 1a63 s PRO 10 Cb -0.24 -1.85 0.42 0.00 0.04 0.00 0.00 34.50 32.87 1a63 s PRO 10 CO 0.20 -1.65 1.58 -0.24 0.04 0.00 0.00 177.00 176.92 1a63 h VAL 11 N 0.30 0.09 -0.94 -0.36 3.04 -1.93 0.59 116.25 117.04 1a63 h VAL 11 Ca -0.50 -0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.26 1a63 h VAL 11 Cb 1.32 0.09 -0.07 0.00 -2.01 0.00 0.00 31.29 30.62 1a63 h VAL 11 CO 0.52 0.00 0.60 0.28 -1.01 0.00 0.00 177.57 177.96 1a63 h SER 12 N 0.00 0.94 0.41 3.17 0.02 -1.98 0.87 113.55 117.00 1a63 h SER 12 Ca 0.44 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.31 1a63 h SER 12 Cb 0.69 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1a63 h SER 12 CO -0.94 0.60 -0.44 -0.33 -1.14 0.00 0.00 176.83 174.58 1a63 h GLU 13 N 1.08 0.04 -0.36 3.45 4.39 -0.21 -0.70 114.58 122.26 1a63 h GLU 13 Ca 0.41 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.99 1a63 h GLU 13 Cb 0.19 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1a63 h GLU 13 CO -0.18 0.47 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.88 1a63 h LEU 14 N 0.03 0.79 -0.71 1.33 4.07 0.89 -0.45 115.31 121.26 1a63 h LEU 14 Ca -0.00 -0.41 -0.09 0.00 0.08 0.00 0.00 57.88 57.45 1a63 h LEU 14 Cb 0.80 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1a63 h LEU 14 CO 0.06 1.03 -0.05 0.40 -1.08 0.00 0.00 178.44 178.80 1a63 h ILE 15 N 0.56 1.26 -0.53 1.22 5.03 -0.53 -0.42 117.51 124.09 1a63 h ILE 15 Ca 0.08 -1.15 -0.07 0.00 -0.12 0.00 0.00 64.86 63.59 1a63 h ILE 15 Cb 0.74 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 35.41 1a63 h ILE 15 CO 0.06 0.41 0.05 0.74 -0.68 0.00 0.00 178.15 178.73 1a63 h THR 16 N 0.86 1.24 -0.46 -0.27 2.02 -0.96 0.05 112.91 115.38 1a63 h THR 16 Ca 0.15 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.27 1a63 h THR 16 Cb 0.57 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1a63 h THR 16 CO 0.03 0.35 -0.07 -0.07 0.37 0.00 0.00 175.52 176.13 1a63 h LEU 17 N 0.81 0.80 -0.27 2.58 3.38 -0.58 -0.94 115.31 121.09 1a63 h LEU 17 Ca 0.16 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1a63 h LEU 17 Cb 0.42 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1a63 h LEU 17 CO 0.01 0.91 -0.30 1.23 0.09 0.00 0.00 178.44 180.38 1a63 h GLY 18 N 0.98 0.74 1.22 0.83 0.00 -0.60 -2.80 103.07 103.43 1a63 h GLY 18 Ca 0.13 -0.78 0.01 0.00 0.00 0.00 0.00 47.33 46.70 1a63 h GLY 18 CO 0.03 0.70 0.51 1.05 0.00 0.00 0.00 176.54 178.83 1a63 h GLU 19 N 0.41 1.00 0.00 4.80 -0.00 0.16 0.64 114.58 121.59 1a63 h GLU 19 Ca 0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.33 1a63 h GLU 19 Cb 0.88 -0.23 -0.00 0.00 -0.00 0.00 0.00 28.75 29.40 1a63 h GLU 19 CO 0.07 0.66 -0.04 -0.91 -0.00 0.00 0.00 179.01 178.80 1a63 h ASN 20 N 1.03 0.00 -0.65 3.06 -0.26 -0.94 -1.37 115.58 116.45 1a63 h ASN 20 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1a63 h ASN 20 Cb -0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1a63 h ASN 20 CO -0.07 0.04 0.00 0.23 -1.06 0.00 0.00 177.43 176.57 1a63 n MET 21 N -4.03 3.04 0.00 0.81 2.81 0.62 -4.94 117.12 115.43 1a63 n MET 21 Ca -0.03 -2.66 0.00 0.00 -1.81 0.00 0.00 57.70 53.20 1a63 n MET 21 Cb 0.12 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 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 1.32 2.72 3.56 3.03 0.00 -0.37 -4.91 105.19 110.54 1a63 n GLY 22 Ca 0.23 0.00 -0.39 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 3.41 0.42 0.99 1.02 0.19 -4.82 118.68 119.89 1a63 s LEU 23 Ca 0.00 -1.17 0.08 0.00 0.02 0.00 0.00 54.13 53.06 1a63 s LEU 23 Cb 0.00 -2.57 -0.02 0.00 0.02 0.00 0.00 46.19 43.63 1a63 s LEU 23 CO 0.00 -1.72 0.39 -1.61 0.02 0.00 0.00 176.35 173.44 1a63 s GLU 24 N 5.37 2.56 -1.19 1.70 2.02 -1.26 0.03 118.70 127.93 1a63 s GLU 24 Ca 0.47 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1a63 s GLU 24 Cb -0.02 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1a63 s GLU 24 CO -0.04 -0.20 0.00 -1.71 0.02 0.00 0.00 175.26 173.33 1a63 n ASN 25 N -1.57 -4.31 0.00 -0.19 2.85 -1.26 -4.88 115.26 105.90 1a63 n ASN 25 Ca 0.04 0.25 0.13 0.00 -0.11 0.00 0.00 54.58 54.89 1a63 n ASN 25 Cb 0.61 -2.90 0.69 0.00 1.24 0.00 0.00 39.78 39.42 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 -1.35 0.00 -0.38 1.20 4.32 -1.26 -3.70 117.00 115.83 1a63 n LEU 26 Ca -0.12 0.19 0.33 0.00 -0.02 0.00 0.00 56.01 56.40 1a63 n LEU 26 Cb 0.40 -0.19 0.67 0.00 -1.62 0.00 0.00 43.42 42.68 1a63 n LEU 26 CO 0.17 -0.03 1.29 0.00 -1.22 0.00 0.00 177.39 177.61 1a63 h ALA 27 N 3.36 2.86 -0.00 -1.18 0.00 -1.96 2.50 119.26 124.84 1a63 h ALA 27 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a63 h ALA 27 Cb 0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a63 h ALA 27 CO 0.00 -1.29 -0.01 0.54 0.00 0.00 0.00 179.25 178.49 1a63 n ARG 28 N -4.38 0.79 -3.94 0.00 5.12 -1.24 -4.84 116.66 108.17 1a63 n ARG 28 Ca 0.29 -0.06 -0.30 0.00 -1.93 0.00 0.00 57.85 55.85 1a63 n ARG 28 Cb 1.24 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 31.00 1a63 n ARG 28 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1a63 s MET 29 N -2.26 3.37 0.10 5.56 -1.94 0.84 -5.09 119.30 119.87 1a63 s MET 29 Ca 0.39 -0.49 -0.18 0.00 -1.71 0.00 0.00 55.69 53.69 1a63 s MET 29 Cb 0.21 -2.99 -0.07 0.00 2.01 0.00 0.00 34.83 33.99 1a63 s MET 29 CO 0.41 0.59 0.57 0.50 -0.01 0.00 0.00 175.02 177.09 1a63 s ARG 30 N -2.58 4.16 0.15 2.03 6.06 -1.26 -4.83 118.95 122.67 1a63 s ARG 30 Ca 0.34 0.69 -0.00 0.00 -2.50 0.00 0.00 55.73 54.26 1a63 s ARG 30 Cb -0.13 -3.16 0.33 0.00 0.06 0.00 0.00 34.95 32.06 1a63 s ARG 30 CO 0.27 0.60 0.77 1.17 -2.50 0.00 0.00 175.30 175.61 1a63 n LYS 31 N 1.48 -0.04 0.33 5.12 4.81 -1.26 -0.64 118.16 127.96 1a63 n LYS 31 Ca -0.09 0.75 -0.17 0.00 -0.87 0.00 0.00 58.31 57.93 1a63 n LYS 31 Cb 0.51 -1.17 -0.09 0.00 0.02 0.00 0.00 35.03 34.30 1a63 n LYS 31 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1a63 h GLN 32 N 0.00 -0.78 -0.37 1.64 -0.00 -1.98 -0.24 115.11 113.38 1a63 h GLN 32 Ca 0.28 0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.90 1a63 h GLN 32 Cb 0.54 0.18 -0.02 0.00 -0.00 0.00 0.00 27.48 28.18 1a63 h GLN 32 CO -0.48 -0.52 -0.12 0.38 -0.00 0.00 0.00 178.83 178.10 1a63 h ASP 33 N -0.81 0.64 -0.70 0.06 3.04 -1.26 -1.94 116.42 115.46 1a63 h ASP 33 Ca -0.08 -0.18 -0.02 0.00 -3.24 0.00 0.00 57.03 53.52 1a63 h ASP 33 Cb 0.63 -0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 38.72 1a63 h ASP 33 CO 0.12 0.78 0.38 0.40 -2.04 0.00 0.00 179.24 178.88 1a63 h ILE 34 N 0.59 1.22 -0.32 4.15 2.04 -0.96 -1.69 117.51 122.55 1a63 h ILE 34 Ca 0.10 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1a63 h ILE 34 Cb 0.55 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1a63 h ILE 34 CO 0.03 0.24 0.21 0.40 0.00 0.00 0.00 178.15 179.03 1a63 h ILE 35 N 1.00 1.09 -0.97 -0.67 2.04 -0.27 -0.45 117.51 119.28 1a63 h ILE 35 Ca 0.25 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 66.06 1a63 h ILE 35 Cb 0.04 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1a63 h ILE 35 CO -0.04 0.09 0.59 -0.26 0.00 0.00 0.00 178.15 178.53 1a63 h PHE 36 N 0.42 1.07 0.09 1.37 0.04 -0.94 0.12 116.94 119.11 1a63 h PHE 36 Ca 0.12 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1a63 h PHE 36 Cb -0.04 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.78 1a63 h PHE 36 CO -0.05 0.41 -0.04 0.00 -0.60 0.00 0.00 178.31 178.03 1a63 h ALA 37 N 1.53 -0.11 -0.13 2.45 0.00 -0.65 -2.18 119.26 120.17 1a63 h ALA 37 Ca 0.48 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1a63 h ALA 37 Cb 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a63 h ALA 37 CO -0.28 -0.27 0.11 0.82 0.00 0.00 0.00 179.25 179.63 1a63 h ILE 38 N -0.70 0.75 -0.18 0.00 2.04 -0.75 0.01 117.51 118.68 1a63 h ILE 38 Ca -0.01 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.68 1a63 h ILE 38 Cb 0.56 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1a63 h ILE 38 CO 0.02 0.00 -0.54 -0.07 0.00 0.00 0.00 178.15 177.56 1a63 h LEU 39 N 0.00 0.78 -0.93 1.44 3.38 -0.91 -0.42 115.31 118.66 1a63 h LEU 39 Ca 0.06 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 1a63 h LEU 39 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1a63 h LEU 39 CO -0.00 1.24 -0.02 0.11 0.09 0.00 0.00 178.44 179.85 1a63 h LYS 40 N 0.37 0.76 0.01 1.13 1.79 -0.58 -0.19 116.57 119.87 1a63 h LYS 40 Ca -0.02 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1a63 h LYS 40 Cb 1.16 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1a63 h LYS 40 CO 0.12 0.78 -0.01 1.96 -1.08 0.00 0.00 179.45 181.22 1a63 h GLN 41 N 0.71 -0.01 -0.51 3.15 1.08 -1.02 -2.89 115.11 115.61 1a63 h GLN 41 Ca 0.14 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 1a63 h GLN 41 Cb 0.47 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1a63 h GLN 41 CO 0.02 0.77 0.13 1.25 -0.95 0.00 0.00 178.83 180.04 1a63 h HIS 42 N -0.95 0.79 -0.62 2.96 2.76 -1.12 -1.29 115.15 117.69 1a63 h HIS 42 Ca -0.00 -0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1a63 h HIS 42 Cb 0.79 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.45 1a63 h HIS 42 CO 0.21 0.67 0.28 0.00 -1.30 0.00 0.00 177.93 177.80 1a63 h ALA 43 N 1.39 0.82 -0.78 5.26 0.00 -1.12 0.35 119.26 125.19 1a63 h ALA 43 Ca 0.17 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.29 1a63 h ALA 43 Cb 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 1a63 h ALA 43 CO -0.00 -0.10 0.28 -0.22 0.00 0.00 0.00 179.25 179.20 1a63 h LYS 44 N 0.51 0.36 0.00 0.00 1.63 -1.02 2.18 116.57 120.24 1a63 h LYS 44 Ca 0.30 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1a63 h LYS 44 Cb 0.30 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1a63 h LYS 44 CO -0.25 0.24 0.00 0.43 -3.45 0.00 0.00 179.45 176.42 1a63 n SER 45 N -5.06 0.00 0.00 4.20 7.64 0.12 -4.84 113.62 115.67 1a63 n SER 45 Ca 0.16 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1a63 n SER 45 Cb 0.48 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.51 0.41 3.86 0.23 0.00 0.74 -5.05 105.19 104.88 1a63 n GLY 46 Ca 0.03 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1a63 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a63 s GLU 47 N -2.09 2.63 0.32 1.61 0.41 -1.13 -5.01 118.70 115.45 1a63 s GLU 47 Ca 0.00 0.50 -0.10 0.00 -0.41 0.00 0.00 54.97 54.96 1a63 s GLU 47 Cb 0.00 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.29 1a63 s GLU 47 CO 0.00 -1.20 0.66 -0.51 -0.49 0.00 0.00 175.26 173.72 1a63 s ASP 48 N -4.25 6.58 -0.03 -0.19 1.01 -1.26 -4.69 116.67 113.83 1a63 s ASP 48 Ca 0.59 1.01 -0.01 0.00 0.71 0.00 0.00 52.55 54.84 1a63 s ASP 48 Cb -0.12 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.57 1a63 s ASP 48 CO 0.52 -0.23 0.07 0.27 0.21 0.00 0.00 175.17 176.01 1a63 s ILE 49 N -2.09 -0.04 0.12 0.77 -4.36 -1.26 -4.62 121.20 109.72 1a63 s ILE 49 Ca 0.49 0.14 -0.02 0.00 -0.26 0.00 0.00 60.65 61.00 1a63 s ILE 49 Cb -0.11 -0.13 -0.04 0.00 1.25 0.00 0.00 42.46 43.44 1a63 s ILE 49 CO 0.26 0.06 0.07 0.72 0.24 0.00 0.00 174.94 176.28 1a63 s PHE 50 N 0.75 0.76 0.35 1.37 -0.71 0.21 -2.43 117.98 118.28 1a63 s PHE 50 Ca -0.06 -1.16 0.08 0.00 -1.04 0.00 0.00 56.93 54.75 1a63 s PHE 50 Cb -0.08 -0.42 -0.07 0.00 -1.21 0.00 0.00 43.02 41.24 1a63 s PHE 50 CO -0.03 -0.52 -0.04 0.20 -1.34 0.00 0.00 175.22 173.49 1a63 s GLY 51 N -3.02 2.20 0.05 1.99 0.00 -0.22 -0.87 107.32 107.45 1a63 s GLY 51 Ca 0.21 -2.11 -0.27 0.00 0.00 0.00 0.00 44.72 42.54 1a63 s GLY 51 CO -0.00 -1.99 0.94 0.51 0.00 0.00 0.00 173.10 172.56 1a63 s ASP 52 N -3.59 -0.27 0.00 1.64 1.47 -1.26 -1.47 116.67 113.19 1a63 s ASP 52 Ca 0.33 -0.17 0.00 0.00 1.18 0.00 0.00 52.55 53.89 1a63 s ASP 52 Cb 0.05 0.41 0.00 0.00 -0.34 0.00 0.00 42.92 43.04 1a63 s ASP 52 CO 0.16 -0.71 0.00 0.61 0.68 0.00 0.00 175.17 175.91 1a63 n GLY 53 N -0.34 0.43 2.93 2.12 0.00 -0.35 -4.36 105.19 105.62 1a63 n GLY 53 Ca -0.07 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.90 1.09 1.04 1.61 1.01 -0.20 -1.11 120.40 120.94 1a63 s VAL 54 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1a63 s VAL 54 Cb 0.00 -1.08 0.22 0.00 0.00 0.00 0.00 36.38 35.52 1a63 s VAL 54 CO 0.00 0.37 1.07 -0.76 0.00 0.00 0.00 175.10 175.79 1a63 s LEU 55 N 1.54 1.66 -0.07 3.92 1.43 -0.08 -3.46 118.68 123.62 1a63 s LEU 55 Ca 0.02 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.78 1a63 s LEU 55 Cb -0.13 -3.82 0.04 0.00 0.03 0.00 0.00 46.19 42.30 1a63 s LEU 55 CO -0.07 -3.59 0.06 -1.61 0.23 0.00 0.00 176.35 171.37 1a63 s GLU 56 N -4.62 0.00 0.56 1.70 0.41 0.68 0.20 118.70 117.64 1a63 s GLU 56 Ca 0.67 0.25 -0.07 0.00 -0.41 0.00 0.00 54.97 55.41 1a63 s GLU 56 Cb -0.23 -0.85 -0.02 0.00 -1.78 0.00 0.00 34.13 31.25 1a63 s GLU 56 CO 0.61 -0.41 0.90 0.42 -0.49 0.00 0.00 175.26 176.29 1a63 s ILE 57 N 2.15 4.35 0.02 -1.63 -1.09 -1.26 -0.99 121.20 122.74 1a63 s ILE 57 Ca 0.04 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 1a63 s ILE 57 Cb -0.13 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1a63 s ILE 57 CO -0.05 -0.77 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.01 1a63 s LEU 58 N -4.96 2.12 0.41 2.97 1.02 0.57 -4.90 118.68 115.91 1a63 s LEU 58 Ca 0.52 -0.36 0.26 0.00 0.02 0.00 0.00 54.13 54.57 1a63 s LEU 58 Cb -0.11 -0.57 1.36 0.00 0.02 0.00 0.00 46.19 46.90 1a63 s LEU 58 CO 0.47 0.06 1.63 -0.61 0.02 0.00 0.00 176.35 177.92 1a63 h GLN 59 N 5.28 0.11 0.00 1.70 4.15 -1.99 0.84 115.11 125.20 1a63 h GLN 59 Ca -0.36 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1a63 h GLN 59 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1a63 h GLN 59 CO 0.46 0.07 0.00 -0.25 -1.93 0.00 0.00 178.83 177.18 1a63 n ASP 60 N -4.82 0.00 0.00 -0.69 9.92 -1.26 -4.79 116.55 114.91 1a63 n ASP 60 Ca 0.36 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 1a63 n ASP 60 Cb 1.34 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 1a63 n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a63 n GLY 61 N -1.20 0.77 3.59 0.44 0.00 0.29 -5.06 105.19 104.01 1a63 n GLY 61 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1a63 n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a63 s PHE 62 N -2.25 1.78 0.34 1.61 -0.71 -1.24 -3.76 117.98 113.76 1a63 s PHE 62 Ca 0.00 -1.25 -0.18 0.00 -1.04 0.00 0.00 56.93 54.46 1a63 s PHE 62 Cb 0.00 -1.25 0.05 0.00 -1.21 0.00 0.00 43.02 40.60 1a63 s PHE 62 CO 0.00 -0.21 0.78 0.20 -1.34 0.00 0.00 175.22 174.65 1a63 s GLY 63 N -3.70 0.22 0.12 1.99 0.00 -0.16 -0.31 107.32 105.48 1a63 s GLY 63 Ca 0.17 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.35 1a63 s GLY 63 CO 0.12 -0.14 -0.13 -1.36 0.00 0.00 0.00 173.10 171.59 1a63 s PHE 64 N -2.76 1.35 0.29 1.90 0.08 -0.16 0.16 117.98 118.84 1a63 s PHE 64 Ca 0.14 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1a63 s PHE 64 Cb -0.05 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 1a63 s PHE 64 CO 0.10 0.13 0.43 -1.17 -0.10 0.00 0.00 175.22 174.61 1a63 s LEU 65 N -2.56 4.15 0.00 -0.37 0.20 -0.31 -0.23 118.68 119.56 1a63 s LEU 65 Ca 0.10 0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.98 1a63 s LEU 65 Cb -0.04 -2.90 0.00 0.00 -0.43 0.00 0.00 46.19 42.82 1a63 s LEU 65 CO 0.03 -0.23 0.00 -2.11 -0.29 0.00 0.00 176.35 173.75 1a63 n ARG 66 N -1.56 -0.37 0.00 1.98 1.85 -1.23 -2.02 116.66 115.32 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 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 0.07 0.00 -0.13 2.89 7.64 -1.26 -1.03 113.62 121.80 1a63 n SER 67 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1a63 n SER 67 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.30 -1.00 -0.43 0.00 -1.26 -3.68 120.51 112.43 1a63 n ALA 68 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1a63 n ALA 68 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.99 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 112.18 1a63 n ASP 69 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1a63 n ASP 69 Cb 0.90 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.99 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 0.00 0.00 -1.12 7.64 -1.26 -4.96 113.62 113.92 1a63 n SER 70 Ca 0.00 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1a63 n SER 70 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.82 0.00 0.00 6.43 7.64 -1.26 -4.76 113.62 119.86 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 -1.94 1.43 4.02 -1.26 -4.66 117.16 114.75 1a63 n TYR 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1a63 n TYR 72 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1a63 n TYR 72 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1a63 n LEU 73 N 0.00 0.00 -3.33 7.72 4.77 -1.26 -4.91 117.00 119.99 1a63 n LEU 73 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1a63 n LEU 73 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1a63 n LEU 73 CO 0.00 -0.44 3.22 0.00 -1.33 0.00 0.00 177.39 178.84 1a63 n ALA 74 N -3.00 7.03 0.00 -1.18 0.00 -1.26 -4.87 120.51 117.23 1a63 n ALA 74 Ca 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1a63 n ALA 74 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.10 1a63 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a63 n GLY 75 N 3.65 0.00 0.41 0.00 0.00 -1.26 0.35 105.19 108.34 1a63 n GLY 75 Ca 0.72 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.96 1a63 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a63 h PRO 76 N 0.00 0.11 -0.00 1.61 0.13 -2.00 0.60 132.00 132.45 1a63 h PRO 76 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1a63 h PRO 76 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1a63 h PRO 76 CO 0.00 0.08 -0.05 -0.25 -0.23 0.00 0.00 178.00 177.54 1a63 n ASP 77 N -4.38 0.55 0.00 1.44 8.00 1.10 -4.82 116.55 118.44 1a63 n ASP 77 Ca 0.14 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1a63 n ASP 77 Cb 0.71 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.73 0.00 -4.73 -2.24 9.92 0.21 -4.80 116.55 114.18 1a63 n ASP 78 Ca 0.18 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.06 1a63 n ASP 78 Cb 0.25 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.67 1a63 n ASP 78 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1a63 s ILE 79 N 0.00 5.21 0.36 0.53 1.09 -0.86 -4.59 121.20 122.95 1a63 s ILE 79 Ca 0.00 0.85 -0.24 0.00 -1.10 0.00 0.00 60.65 60.16 1a63 s ILE 79 Cb 0.00 -3.77 -0.10 0.00 -1.06 0.00 0.00 42.46 37.53 1a63 s ILE 79 CO 0.00 0.35 0.95 -0.47 -0.10 0.00 0.00 174.94 175.67 1a63 s TYR 80 N 0.56 3.56 -0.13 3.97 6.14 -0.08 -1.17 117.35 130.20 1a63 s TYR 80 Ca 0.24 1.73 -0.04 0.00 0.64 0.00 0.00 57.07 59.63 1a63 s TYR 80 Cb -0.15 -2.91 0.05 0.00 0.42 0.00 0.00 41.96 39.38 1a63 s TYR 80 CO 0.09 0.08 0.10 0.08 0.64 0.00 0.00 175.55 176.54 1a63 s VAL 81 N -1.79 -0.13 0.76 3.14 1.01 0.12 -0.66 120.40 122.84 1a63 s VAL 81 Ca 0.54 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.45 1a63 s VAL 81 Cb -0.16 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1a63 s VAL 81 CO 0.20 -0.12 1.08 -0.44 0.00 0.00 0.00 175.10 175.83 1a63 s SER 82 N 2.18 4.86 0.04 3.32 0.01 -1.26 -0.99 113.70 121.84 1a63 s SER 82 Ca 0.03 1.43 -0.23 0.00 1.31 0.00 0.00 55.95 58.49 1a63 s SER 82 Cb -0.15 -2.23 -0.16 0.00 0.21 0.00 0.00 66.02 63.70 1a63 s SER 82 CO -0.07 -1.75 1.47 1.55 0.41 0.00 0.00 173.24 174.84 1a63 h PRO 83 N -0.94 0.10 -0.98 12.44 0.13 -1.94 -1.34 132.00 139.48 1a63 h PRO 83 Ca -0.46 -0.03 0.26 0.00 -0.87 0.00 0.00 66.00 64.90 1a63 h PRO 83 Cb 1.24 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 1a63 h PRO 83 CO 0.58 0.37 0.54 1.03 -0.23 0.00 0.00 178.00 180.29 1a63 h SER 84 N -0.18 0.55 0.55 1.44 0.87 -1.93 1.53 113.55 116.37 1a63 h SER 84 Ca 0.02 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1a63 h SER 84 Cb 0.32 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1a63 h SER 84 CO 0.00 0.01 -0.26 1.56 -0.53 0.00 0.00 176.83 177.61 1a63 h GLN 85 N 0.47 -0.71 0.17 2.24 1.08 -1.79 0.90 115.11 117.46 1a63 h GLN 85 Ca 0.65 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.91 1a63 h GLN 85 Cb 1.32 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.88 1a63 h GLN 85 CO -0.53 -0.41 -0.27 0.82 -0.95 0.00 0.00 178.83 177.49 1a63 h ILE 86 N -0.92 0.42 -0.85 2.54 2.04 0.47 -2.17 117.51 119.05 1a63 h ILE 86 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1a63 h ILE 86 Cb 0.63 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1a63 h ILE 86 CO 0.12 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.82 1a63 h ARG 87 N -0.51 0.88 -0.74 2.37 3.08 0.20 0.13 114.38 119.80 1a63 h ARG 87 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1a63 h ARG 87 Cb 0.51 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1a63 h ARG 87 CO -0.12 0.58 0.47 0.00 -1.07 0.00 0.00 179.97 179.84 1a63 h ARG 88 N 0.91 0.98 -0.23 0.04 2.47 0.14 -3.01 114.38 115.69 1a63 h ARG 88 Ca 0.38 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1a63 h ARG 88 Cb 0.23 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1a63 h ARG 88 CO -0.20 0.67 0.00 1.19 0.56 0.00 0.00 179.97 182.19 1a63 n PHE 89 N -4.41 0.49 -3.42 3.04 3.72 -0.92 -4.98 117.46 110.98 1a63 n PHE 89 Ca 0.08 -0.67 -0.17 0.00 -0.05 0.00 0.00 57.45 56.63 1a63 n PHE 89 Cb 0.05 -0.13 0.08 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.18 -3.40 -4.77 4.37 2.85 0.36 -4.83 115.26 109.67 1a63 n ASN 90 Ca 0.13 -0.68 -0.24 0.00 -0.11 0.00 0.00 54.58 53.68 1a63 n ASN 90 Cb 0.57 -4.97 0.09 0.00 1.24 0.00 0.00 39.78 36.70 1a63 n ASN 90 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a63 s LEU 91 N -6.12 2.99 0.17 1.20 1.02 -0.60 -5.03 118.68 112.31 1a63 s LEU 91 Ca 0.15 0.01 -0.14 0.00 0.02 0.00 0.00 54.13 54.17 1a63 s LEU 91 Cb -0.02 -2.54 0.01 0.00 0.02 0.00 0.00 46.19 43.66 1a63 s LEU 91 CO 0.75 -1.69 0.41 -0.13 0.02 0.00 0.00 176.35 175.71 1a63 s ARG 92 N -5.14 1.24 0.73 1.70 0.52 -1.26 -4.88 118.95 111.85 1a63 s ARG 92 Ca 0.63 -0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 54.74 1a63 s ARG 92 Cb -0.08 0.45 0.04 0.00 0.52 0.00 0.00 34.95 35.88 1a63 s ARG 92 CO 0.44 -0.49 1.16 -0.08 0.02 0.00 0.00 175.30 176.34 1a63 s THR 93 N -3.90 2.70 0.00 0.02 -1.32 -1.26 -1.59 115.64 110.29 1a63 s THR 93 Ca 0.11 0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 1a63 s THR 93 Cb 0.01 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 1a63 s THR 93 CO -0.03 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1a63 n GLY 94 N -0.08 2.50 3.77 6.08 0.00 0.13 -4.91 105.19 112.68 1a63 n GLY 94 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 6.13 -0.25 1.61 1.11 -0.62 -4.65 116.67 116.47 1a63 s ASP 95 Ca 0.00 2.50 -0.20 0.00 0.18 0.00 0.00 52.55 55.03 1a63 s ASP 95 Cb 0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 1a63 s ASP 95 CO 0.00 -0.96 0.60 -0.89 1.18 0.00 0.00 175.17 175.10 1a63 s THR 96 N -1.39 5.01 0.21 -1.27 2.01 -1.26 -0.90 115.64 118.04 1a63 s THR 96 Ca 0.62 1.08 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 1a63 s THR 96 Cb -0.34 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1a63 s THR 96 CO 0.42 0.05 0.30 -0.63 -0.69 0.00 0.00 174.62 174.07 1a63 s ILE 97 N 2.38 0.02 -0.13 1.82 1.01 -0.27 -0.80 121.20 125.23 1a63 s ILE 97 Ca 0.25 -1.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1a63 s ILE 97 Cb -0.16 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1a63 s ILE 97 CO 0.09 -0.09 0.34 -0.94 0.00 0.00 0.00 174.94 174.33 1a63 s SER 98 N -3.05 -0.36 0.25 3.58 1.04 -0.90 -1.21 113.70 113.05 1a63 s SER 98 Ca 0.27 0.69 -0.20 0.00 0.48 0.00 0.00 55.95 57.18 1a63 s SER 98 Cb 0.03 0.68 0.07 0.00 0.10 0.00 0.00 66.02 66.90 1a63 s SER 98 CO 0.08 -0.12 0.97 -0.83 0.98 0.00 0.00 173.24 174.31 1a63 s GLY 99 N 0.32 0.22 0.34 7.32 0.00 -0.54 -0.63 107.32 114.34 1a63 s GLY 99 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 1a63 s GLY 99 CO -0.01 1.78 0.63 -1.59 0.00 0.00 0.00 173.10 173.91 1a63 s LYS 100 N -2.12 3.63 0.13 2.90 -2.85 -0.37 -1.05 119.74 120.00 1a63 s LYS 100 Ca 0.21 0.09 0.06 0.00 -1.00 0.00 0.00 55.97 55.32 1a63 s LYS 100 Cb -0.03 -2.56 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 1a63 s LYS 100 CO 0.07 0.10 -0.14 0.96 0.10 0.00 0.00 175.35 176.44 1a63 s ILE 101 N -2.26 1.37 -0.03 3.79 -4.36 -1.02 -0.64 121.20 118.05 1a63 s ILE 101 Ca 0.45 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.80 1a63 s ILE 101 Cb -0.10 -1.57 0.07 0.00 1.25 0.00 0.00 42.46 42.11 1a63 s ILE 101 CO 0.33 -0.42 0.69 -0.13 0.24 0.00 0.00 174.94 175.66 1a63 s ARG 102 N -2.72 1.05 -0.21 0.37 0.52 -0.37 -4.82 118.95 112.77 1a63 s ARG 102 Ca 0.10 0.17 0.15 0.00 -0.52 0.00 0.00 55.73 55.63 1a63 s ARG 102 Cb -0.05 0.49 0.78 0.00 0.52 0.00 0.00 34.95 36.70 1a63 s ARG 102 CO 0.03 -0.35 1.70 -0.35 0.02 0.00 0.00 175.30 176.36 1a63 n PRO 103 N 0.75 4.53 -1.19 3.54 -0.04 -1.26 -1.67 135.00 139.66 1a63 n PRO 103 Ca -0.18 -3.09 -0.19 0.00 -0.04 0.00 0.00 63.50 59.99 1a63 n PRO 103 Cb 0.58 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.80 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 0.58 2.10 -1.57 0.54 -0.04 -1.26 -4.62 135.00 130.73 1a63 n PRO 104 Ca 0.27 -1.70 -0.02 0.00 -0.04 0.00 0.00 63.50 62.01 1a63 n PRO 104 Cb 1.12 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1a63 n PRO 104 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a63 n LYS 105 N 1.26 0.16 0.19 0.54 4.81 -1.26 -4.97 118.16 118.88 1a63 n LYS 105 Ca 0.41 -0.37 0.13 0.00 -0.87 0.00 0.00 58.31 57.60 1a63 n LYS 105 Cb 0.65 0.43 0.67 0.00 0.02 0.00 0.00 35.03 36.80 1a63 n LYS 105 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1a63 h GLU 106 N 0.00 0.00 -2.00 1.64 4.39 -1.99 -2.70 114.58 113.91 1a63 h GLU 106 Ca -0.05 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 1a63 h GLU 106 Cb 0.19 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 1a63 h GLU 106 CO 0.06 0.00 -0.32 0.41 -1.16 0.00 0.00 179.01 178.00 1a63 n GLY 107 N -1.18 2.91 0.00 -3.84 0.00 -1.26 -4.88 105.19 96.94 1a63 n GLY 107 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1a63 n GLY 107 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a63 n GLU 108 N 2.33 0.20 0.00 1.61 2.13 -1.02 -3.93 120.64 121.96 1a63 n GLU 108 Ca 0.35 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1a63 n GLU 108 Cb 0.84 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.55 1a63 n GLU 108 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1a63 n ARG 109 N -0.95 0.00 -4.10 5.31 3.00 -1.26 -4.69 116.66 113.98 1a63 n ARG 109 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 1a63 n ARG 109 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 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 3.08 0.80 -0.14 2.02 -1.26 -5.09 117.35 116.75 1a63 s TYR 110 Ca 0.00 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 1a63 s TYR 110 Cb 0.00 -1.56 0.07 0.00 -0.40 0.00 0.00 41.96 40.08 1a63 s TYR 110 CO 0.00 0.50 1.11 -0.06 -1.57 0.00 0.00 175.55 175.53 1a63 s PHE 111 N -1.42 2.33 0.17 2.71 0.08 -1.26 -4.79 117.98 115.81 1a63 s PHE 111 Ca 0.28 1.61 0.10 0.00 0.12 0.00 0.00 56.93 59.04 1a63 s PHE 111 Cb -0.12 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1a63 s PHE 111 CO 0.20 -2.06 -0.22 0.00 -0.10 0.00 0.00 175.22 173.05 1a63 s ALA 112 N -2.76 2.28 0.48 5.36 0.00 -0.67 -0.90 121.76 125.55 1a63 s ALA 112 Ca 0.63 -1.55 -0.24 0.00 0.00 0.00 0.00 51.96 50.80 1a63 s ALA 112 Cb -0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1a63 s ALA 112 CO 0.55 0.35 1.38 -0.11 0.00 0.00 0.00 175.76 177.93 1a63 n LEU 113 N 0.35 5.08 0.03 0.00 7.94 0.16 -1.24 117.00 129.31 1a63 n LEU 113 Ca -0.13 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1a63 n LEU 113 Cb 0.56 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.94 1a63 n LEU 113 CO 0.29 -0.40 -0.25 -0.11 -1.11 0.00 0.00 177.39 175.80 1a63 n LEU 114 N -0.41 0.45 -4.09 -1.96 7.94 0.18 -4.64 117.00 114.47 1a63 n LEU 114 Ca 0.07 0.08 -0.21 0.00 -1.11 0.00 0.00 56.01 54.85 1a63 n LEU 114 Cb 0.42 -0.12 -0.14 0.00 0.53 0.00 0.00 43.42 44.11 1a63 n LEU 114 CO 0.57 -0.37 -0.46 -0.75 -1.11 0.00 0.00 177.39 175.27 1a63 s LYS 115 N -2.00 0.96 -0.14 1.96 2.20 -1.01 -4.94 119.74 116.78 1a63 s LYS 115 Ca 0.00 -0.52 -0.18 0.00 -0.36 0.00 0.00 55.97 54.92 1a63 s LYS 115 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.34 1a63 s LYS 115 CO 0.00 0.25 0.45 0.08 -0.36 0.00 0.00 175.35 175.78 1a63 s VAL 116 N -0.44 5.19 -0.17 4.02 1.01 -1.26 -1.24 120.40 127.51 1a63 s VAL 116 Ca 0.04 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1a63 s VAL 116 Cb -0.06 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1a63 s VAL 116 CO -0.00 0.31 -0.13 0.59 0.00 0.00 0.00 175.10 175.87 1a63 n ASN 117 N 3.83 2.55 -3.95 3.32 3.02 0.19 -4.97 115.26 119.26 1a63 n ASN 117 Ca -0.07 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 1a63 n ASN 117 Cb 0.51 -0.17 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 1a63 n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1a63 s GLU 118 N -2.35 0.60 -0.26 3.52 0.41 -0.78 -4.96 118.70 114.89 1a63 s GLU 118 Ca -0.22 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.33 1a63 s GLU 118 Cb 0.06 0.23 0.07 0.00 -1.78 0.00 0.00 34.13 32.71 1a63 s GLU 118 CO 0.42 -0.15 0.64 0.08 -0.49 0.00 0.00 175.26 175.76 1a63 s VAL 119 N -2.87 -0.00 -1.51 2.63 1.01 -1.22 -2.11 120.40 116.32 1a63 s VAL 119 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1a63 s VAL 119 Cb 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.53 1a63 s VAL 119 CO -0.06 0.01 0.68 0.59 0.00 0.00 0.00 175.10 176.32 1a63 n ASN 120 N 3.90 -2.27 -3.14 3.32 5.03 0.02 -0.95 115.26 121.16 1a63 n ASN 120 Ca -0.19 -0.94 -0.16 0.00 0.87 0.00 0.00 54.58 54.16 1a63 n ASN 120 Cb 0.58 -3.26 -0.03 0.00 -1.02 0.00 0.00 39.78 36.04 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 -4.45 -1.50 -3.95 3.10 -0.00 -1.26 -4.81 117.46 104.59 1a63 n PHE 121 Ca -0.12 0.26 -0.09 0.00 -0.00 0.00 0.00 57.45 57.50 1a63 n PHE 121 Cb 0.59 -1.24 -0.03 0.00 -0.00 0.00 0.00 39.48 38.80 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 -2.34 0.04 1.17 -2.13 1.01 -0.12 -5.15 116.67 109.14 1a63 s ASP 122 Ca 0.32 -0.98 -0.15 0.00 0.71 0.00 0.00 52.55 52.45 1a63 s ASP 122 Cb -0.19 0.68 0.23 0.00 1.01 0.00 0.00 42.92 44.66 1a63 s ASP 122 CO 0.39 -1.31 0.68 0.29 0.21 0.00 0.00 175.17 175.43 1a63 n LYS 123 N -0.45 -2.25 -0.33 8.23 4.76 -1.26 -3.45 118.16 123.41 1a63 n LYS 123 Ca -0.03 -0.63 -0.04 0.00 -2.87 0.00 0.00 58.31 54.74 1a63 n LYS 123 Cb 0.61 -2.01 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 1a63 n LYS 123 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1a63 n PRO 124 N -4.03 0.66 -2.26 1.97 -0.04 -1.26 -4.67 135.00 125.37 1a63 n PRO 124 Ca 0.02 -0.29 0.01 0.00 -0.04 0.00 0.00 63.50 63.19 1a63 n PRO 124 Cb 0.57 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 2.63 0.03 0.00 0.54 2.13 -1.26 -5.00 120.64 119.71 1a63 n GLU 125 Ca 0.13 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1a63 n GLU 125 Cb 0.31 0.23 0.00 0.00 0.27 0.00 0.00 31.44 32.25 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 -0.31 0.00 -0.07 4.31 4.05 -1.26 -4.95 115.26 117.02 1a63 n ASN 126 Ca 0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.04 1a63 n ASN 126 Cb 0.11 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.12 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a63 n ALA 127 N 0.00 0.00 -3.53 5.20 0.00 -1.26 -5.19 120.51 115.73 1a63 n ALA 127 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1a63 n ALA 127 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 0.57 -2.47 0.00 5.12 -1.26 -5.16 116.66 113.46 1a63 n ARG 128 Ca 0.00 -0.74 -0.23 0.00 -1.93 0.00 0.00 57.85 54.94 1a63 n ARG 128 Cb 0.00 0.48 0.07 0.00 -1.16 0.00 0.00 32.46 31.85 1a63 n ARG 128 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1a63 s ASN 129 N -1.53 4.77 0.00 0.55 2.47 -1.26 -5.38 114.94 114.56 1a63 s ASN 129 Ca 0.06 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.36 1a63 s ASN 129 Cb 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 39.15 1a63 s ASN 129 CO 0.04 -1.55 0.29 0.29 -3.72 0.00 0.00 177.10 172.45