#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 6.15 0.35 3.17 3.84 -1.21 0.09 114.94 127.33 1a63 s ASN 2 Ca 0.00 -0.89 0.16 0.00 0.21 0.00 0.00 52.86 52.34 1a63 s ASN 2 Cb 0.00 -2.56 1.16 0.00 -0.55 0.00 0.00 41.25 39.30 1a63 s ASN 2 CO 0.00 -1.82 1.60 0.25 -2.79 0.00 0.00 177.10 174.35 1a63 h LEU 3 N 13.66 0.22 -1.47 3.21 7.12 -1.38 1.91 115.31 138.59 1a63 h LEU 3 Ca -0.01 0.24 0.03 0.00 0.13 0.00 0.00 57.88 58.27 1a63 h LEU 3 Cb 1.04 0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 41.41 1a63 h LEU 3 CO 1.34 -0.34 0.39 0.74 -0.13 0.00 0.00 178.44 180.43 1a63 h THR 4 N 0.08 1.09 -0.05 1.05 2.02 -1.89 -0.56 112.91 114.65 1a63 h THR 4 Ca 0.77 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.60 1a63 h THR 4 Cb 1.90 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1a63 h THR 4 CO -0.75 0.13 -0.39 1.05 0.37 0.00 0.00 175.52 175.92 1a63 h GLU 5 N 0.70 0.36 -0.47 6.66 4.11 0.26 -0.65 114.58 125.55 1a63 h GLU 5 Ca 0.23 -0.32 0.09 0.00 0.07 0.00 0.00 59.36 59.44 1a63 h GLU 5 Cb 0.05 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 1a63 h GLU 5 CO -0.06 0.97 -0.09 -0.07 0.07 0.00 0.00 179.01 179.83 1a63 h LEU 6 N -0.15 -0.39 -0.63 3.06 3.38 -0.42 0.24 115.31 120.40 1a63 h LEU 6 Ca -0.03 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1a63 h LEU 6 Cb 1.07 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1a63 h LEU 6 CO 0.08 -0.14 -0.01 0.11 0.09 0.00 0.00 178.44 178.57 1a63 h LYS 7 N 0.02 1.06 0.00 1.13 6.56 -1.13 -2.77 116.57 121.44 1a63 h LYS 7 Ca 0.23 -0.34 -0.03 0.00 -1.06 0.00 0.00 60.65 59.45 1a63 h LYS 7 Cb 0.35 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1a63 h LYS 7 CO -0.46 1.04 -0.13 -0.91 -2.06 0.00 0.00 179.45 176.92 1a63 h ASN 8 N 0.97 0.00 -3.08 0.86 2.35 0.59 -3.42 115.58 113.85 1a63 h ASN 8 Ca 0.17 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.38 1a63 h ASN 8 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1a63 h ASN 8 CO 0.03 0.13 0.68 -0.89 -1.65 0.00 0.00 177.43 175.74 1a63 s THR 9 N -4.56 4.04 0.65 2.81 2.01 0.65 -5.00 115.64 116.25 1a63 s THR 9 Ca -0.04 1.42 -0.18 0.00 0.31 0.00 0.00 61.69 63.20 1a63 s THR 9 Cb 0.15 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1a63 s THR 9 CO 0.65 0.04 1.27 -2.16 -0.69 0.00 0.00 174.62 173.73 1a63 s PRO 10 N 1.84 2.56 0.24 4.92 0.04 -1.26 -4.64 135.00 138.70 1a63 s PRO 10 Ca 0.59 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 1a63 s PRO 10 Cb -0.28 -1.85 0.32 0.00 0.04 0.00 0.00 34.50 32.73 1a63 s PRO 10 CO 0.25 -1.58 1.59 -0.24 0.04 0.00 0.00 177.00 177.07 1a63 h VAL 11 N 0.49 0.16 -1.01 -0.36 3.04 -1.93 0.48 116.25 117.12 1a63 h VAL 11 Ca -0.51 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.27 1a63 h VAL 11 Cb 1.33 0.16 -0.07 0.00 -2.01 0.00 0.00 31.29 30.69 1a63 h VAL 11 CO 0.53 0.00 0.64 0.28 -1.01 0.00 0.00 177.57 178.01 1a63 h SER 12 N -0.02 1.00 0.48 3.17 0.02 -1.99 0.19 113.55 116.40 1a63 h SER 12 Ca 0.38 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1a63 h SER 12 Cb 0.60 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1a63 h SER 12 CO -0.84 0.59 -0.44 -0.33 -1.14 0.00 0.00 176.83 174.67 1a63 h GLU 13 N 1.11 0.00 -0.27 3.45 3.07 -0.46 -0.59 114.58 120.89 1a63 h GLU 13 Ca 0.46 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.24 1a63 h GLU 13 Cb 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1a63 h GLU 13 CO -0.21 0.44 -0.14 -0.07 -1.40 0.00 0.00 179.01 177.63 1a63 h LEU 14 N 0.00 0.59 -0.87 1.33 4.07 0.12 -0.47 115.31 120.07 1a63 h LEU 14 Ca -0.00 -0.42 -0.08 0.00 0.08 0.00 0.00 57.88 57.46 1a63 h LEU 14 Cb 0.80 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1a63 h LEU 14 CO 0.06 0.87 -0.04 0.40 -1.08 0.00 0.00 178.44 178.65 1a63 h ILE 15 N 0.30 1.25 -0.55 1.22 5.03 -0.60 -0.43 117.51 123.73 1a63 h ILE 15 Ca 0.06 -1.07 -0.09 0.00 -0.12 0.00 0.00 64.86 63.64 1a63 h ILE 15 Cb 0.66 0.94 -0.02 0.00 -3.03 0.00 0.00 36.82 35.36 1a63 h ILE 15 CO 0.04 0.37 -0.00 0.74 -0.68 0.00 0.00 178.15 178.62 1a63 h THR 16 N 0.73 1.26 -0.55 -0.27 2.02 -0.95 -0.03 112.91 115.12 1a63 h THR 16 Ca 0.14 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.14 1a63 h THR 16 Cb 0.50 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1a63 h THR 16 CO 0.03 0.40 0.03 -0.07 0.37 0.00 0.00 175.52 176.27 1a63 h LEU 17 N 0.88 0.88 -0.34 2.58 3.38 -0.59 -0.89 115.31 121.21 1a63 h LEU 17 Ca 0.16 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1a63 h LEU 17 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1a63 h LEU 17 CO 0.03 0.92 -0.10 1.23 0.09 0.00 0.00 178.44 180.61 1a63 h GLY 18 N 1.00 0.73 0.97 0.83 0.00 -0.68 -2.49 103.07 103.42 1a63 h GLY 18 Ca 0.16 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.92 1a63 h GLY 18 CO 0.02 0.56 0.60 1.05 0.00 0.00 0.00 176.54 178.76 1a63 h GLU 19 N 0.46 1.10 0.00 4.80 -0.00 -0.09 0.82 114.58 121.66 1a63 h GLU 19 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 1a63 h GLU 19 Cb 0.61 -0.25 -0.00 0.00 -0.00 0.00 0.00 28.75 29.11 1a63 h GLU 19 CO 0.04 0.72 -0.07 -0.91 -0.00 0.00 0.00 179.01 178.79 1a63 h ASN 20 N 1.13 0.00 -0.64 3.06 4.21 -0.81 -1.88 115.58 120.64 1a63 h ASN 20 Ca 0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.87 1a63 h ASN 20 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1a63 h ASN 20 CO -0.11 0.07 0.00 0.23 -1.29 0.00 0.00 177.43 176.33 1a63 n MET 21 N -4.13 2.90 0.00 0.81 2.81 0.86 -4.95 117.12 115.42 1a63 n MET 21 Ca -0.03 -2.59 0.00 0.00 -1.81 0.00 0.00 57.70 53.28 1a63 n MET 21 Cb 0.15 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.33 2.78 3.55 3.03 0.00 0.33 -5.02 105.19 111.19 1a63 n GLY 22 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 3.31 0.40 0.99 1.02 0.25 -4.84 118.68 119.81 1a63 s LEU 23 Ca 0.00 -0.83 0.08 0.00 0.02 0.00 0.00 54.13 53.40 1a63 s LEU 23 Cb 0.00 -2.56 -0.01 0.00 0.02 0.00 0.00 46.19 43.64 1a63 s LEU 23 CO 0.00 -1.81 0.43 -1.61 0.02 0.00 0.00 176.35 173.38 1a63 s GLU 24 N 5.62 2.71 -1.17 1.70 2.02 -1.26 -1.68 118.70 126.65 1a63 s GLU 24 Ca 0.45 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1a63 s GLU 24 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1a63 s GLU 24 CO 0.04 -0.14 0.00 -1.71 0.02 0.00 0.00 175.26 173.47 1a63 n ASN 25 N -1.62 -4.41 0.09 -0.19 4.05 -1.26 -4.89 115.26 107.04 1a63 n ASN 25 Ca 0.04 0.27 0.12 0.00 0.45 0.00 0.00 54.58 55.46 1a63 n ASN 25 Cb 0.60 -2.87 0.45 0.00 1.23 0.00 0.00 39.78 39.19 1a63 n ASN 25 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1a63 n LEU 26 N -1.25 0.58 -0.36 1.20 4.32 -1.26 -3.55 117.00 116.68 1a63 n LEU 26 Ca -0.11 0.58 0.28 0.00 -0.02 0.00 0.00 56.01 56.74 1a63 n LEU 26 Cb 0.37 -0.44 0.57 0.00 -1.62 0.00 0.00 43.42 42.31 1a63 n LEU 26 CO 0.17 -0.27 1.23 0.00 -1.22 0.00 0.00 177.39 177.30 1a63 h ALA 27 N 2.52 2.46 -0.01 -1.18 0.00 -1.96 2.25 119.26 123.34 1a63 h ALA 27 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a63 h ALA 27 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a63 h ALA 27 CO 0.00 -0.92 0.00 0.54 0.00 0.00 0.00 179.25 178.87 1a63 n ARG 28 N -4.60 1.08 -3.93 0.00 1.74 -1.23 -4.83 116.66 104.89 1a63 n ARG 28 Ca 0.29 -0.12 -0.30 0.00 -0.77 0.00 0.00 57.85 56.94 1a63 n ARG 28 Cb 1.07 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.99 3.40 0.12 5.56 -1.94 0.76 -5.09 119.30 120.12 1a63 s MET 29 Ca 0.36 -0.48 -0.17 0.00 -1.71 0.00 0.00 55.69 53.69 1a63 s MET 29 Cb 0.17 -3.01 -0.07 0.00 2.01 0.00 0.00 34.83 33.93 1a63 s MET 29 CO 0.28 0.60 0.58 0.50 -0.01 0.00 0.00 175.02 176.97 1a63 s ARG 30 N -2.58 4.12 0.19 2.03 3.52 -1.26 -4.84 118.95 120.13 1a63 s ARG 30 Ca 0.35 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 1a63 s ARG 30 Cb -0.13 -3.07 0.47 0.00 -1.56 0.00 0.00 34.95 30.67 1a63 s ARG 30 CO 0.28 0.54 0.94 1.17 -0.81 0.00 0.00 175.30 177.42 1a63 n LYS 31 N 1.22 -0.05 0.21 5.12 4.81 -1.26 -0.82 118.16 127.39 1a63 n LYS 31 Ca -0.07 0.89 -0.15 0.00 -0.87 0.00 0.00 58.31 58.11 1a63 n LYS 31 Cb 0.51 -1.43 -0.08 0.00 0.02 0.00 0.00 35.03 34.06 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 -0.47 -0.43 1.64 -0.00 -2.00 -0.40 115.11 113.46 1a63 h GLN 32 Ca 0.37 0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.95 1a63 h GLN 32 Cb 0.77 0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 28.34 1a63 h GLN 32 CO -0.56 -0.27 -0.13 0.38 -0.00 0.00 0.00 178.83 178.26 1a63 h ASP 33 N -0.57 0.78 -0.88 0.06 3.04 -1.36 -2.18 116.42 115.31 1a63 h ASP 33 Ca -0.05 -0.24 -0.01 0.00 -3.24 0.00 0.00 57.03 53.49 1a63 h ASP 33 Cb 0.42 -0.21 -0.04 0.00 -1.04 0.00 0.00 39.33 38.46 1a63 h ASP 33 CO 0.08 0.92 0.51 0.40 -2.04 0.00 0.00 179.24 179.11 1a63 h ILE 34 N 0.70 1.25 -0.34 4.15 2.04 -1.00 -1.57 117.51 122.74 1a63 h ILE 34 Ca 0.11 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1a63 h ILE 34 Cb 0.62 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1a63 h ILE 34 CO 0.04 0.27 0.14 0.40 0.00 0.00 0.00 178.15 179.00 1a63 h ILE 35 N 1.23 0.94 -0.93 -0.67 2.04 -0.45 0.18 117.51 119.84 1a63 h ILE 35 Ca 0.31 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 66.21 1a63 h ILE 35 Cb -0.02 0.61 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 1a63 h ILE 35 CO -0.06 0.05 0.54 -0.26 0.00 0.00 0.00 178.15 178.43 1a63 h PHE 36 N 0.30 0.97 0.15 1.37 -1.00 -0.91 0.32 116.94 118.14 1a63 h PHE 36 Ca 0.15 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1a63 h PHE 36 Cb 0.10 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.37 1a63 h PHE 36 CO -0.12 0.31 -0.07 0.00 -1.61 0.00 0.00 178.31 176.81 1a63 h ALA 37 N 1.56 -0.21 -0.51 2.45 0.00 -0.25 -2.44 119.26 119.85 1a63 h ALA 37 Ca 0.49 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.33 1a63 h ALA 37 Cb 0.61 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1a63 h ALA 37 CO -0.32 -0.36 0.42 0.82 0.00 0.00 0.00 179.25 179.82 1a63 h ILE 38 N -0.72 0.57 -0.13 0.00 2.04 -0.07 0.20 117.51 119.40 1a63 h ILE 38 Ca -0.02 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 1a63 h ILE 38 Cb 0.51 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1a63 h ILE 38 CO 0.03 0.00 -0.38 -0.07 0.00 0.00 0.00 178.15 177.74 1a63 h LEU 39 N 0.00 0.56 -0.62 1.44 3.38 -0.82 -0.68 115.31 118.57 1a63 h LEU 39 Ca 0.24 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1a63 h LEU 39 Cb 1.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1a63 h LEU 39 CO -0.00 1.05 0.18 0.11 0.09 0.00 0.00 178.44 179.87 1a63 h LYS 40 N 0.09 0.98 -0.02 1.13 1.79 -0.55 -0.11 116.57 119.88 1a63 h LYS 40 Ca -0.01 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.15 1a63 h LYS 40 Cb 1.00 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1a63 h LYS 40 CO 0.08 0.87 -0.34 -0.56 -1.08 0.00 0.00 179.45 178.43 1a63 h GLN 41 N 0.90 0.27 -0.28 3.15 3.07 -1.10 -1.89 115.11 119.22 1a63 h GLN 41 Ca 0.20 -0.26 -0.08 0.00 0.09 0.00 0.00 58.65 58.60 1a63 h GLN 41 Cb 0.31 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 1a63 h GLN 41 CO -0.00 0.94 -0.16 1.25 0.09 0.00 0.00 178.83 180.95 1a63 h HIS 42 N -0.31 0.53 -0.38 0.06 2.76 -1.13 -2.33 115.15 114.35 1a63 h HIS 42 Ca -0.04 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 57.94 1a63 h HIS 42 Cb 1.04 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 1a63 h HIS 42 CO 0.15 0.63 -0.20 0.00 -1.30 0.00 0.00 177.93 177.22 1a63 h ALA 43 N 1.39 0.95 -0.86 5.26 0.00 -1.04 -2.55 119.26 122.41 1a63 h ALA 43 Ca 0.08 -0.35 0.21 0.00 0.00 0.00 0.00 54.91 54.84 1a63 h ALA 43 Cb 0.54 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.05 1a63 h ALA 43 CO 0.03 0.61 0.31 -0.22 0.00 0.00 0.00 179.25 179.99 1a63 h LYS 44 N 0.64 0.33 0.00 0.00 1.63 -0.76 3.03 116.57 121.44 1a63 h LYS 44 Ca 0.10 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1a63 h LYS 44 Cb 0.68 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1a63 h LYS 44 CO 0.05 0.22 0.00 0.43 -3.45 0.00 0.00 179.45 176.70 1a63 n SER 45 N -5.10 0.00 -2.48 4.20 7.64 -0.96 -4.84 113.62 112.07 1a63 n SER 45 Ca 0.20 0.50 -0.18 0.00 1.01 0.00 0.00 58.87 60.40 1a63 n SER 45 Cb 0.61 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.50 -0.24 3.96 0.23 0.00 1.01 -5.01 105.19 104.64 1a63 n GLY 46 Ca 0.02 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.54 2.83 0.32 1.61 4.04 -1.25 -5.02 118.70 115.70 1a63 s GLU 47 Ca 0.27 -0.57 -0.29 0.00 0.04 0.00 0.00 54.97 54.43 1a63 s GLU 47 Cb -0.12 -2.50 -0.11 0.00 0.02 0.00 0.00 34.13 31.42 1a63 s GLU 47 CO 0.34 -0.49 1.52 -0.51 -1.84 0.00 0.00 175.26 174.28 1a63 s ASP 48 N -4.31 6.43 -0.03 0.83 1.11 -1.26 -4.86 116.67 114.58 1a63 s ASP 48 Ca 0.52 2.93 -0.01 0.00 0.18 0.00 0.00 52.55 56.17 1a63 s ASP 48 Cb -0.10 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.26 1a63 s ASP 48 CO 0.39 -0.85 0.06 0.27 1.18 0.00 0.00 175.17 176.22 1a63 s ILE 49 N -0.46 -0.03 0.12 0.77 -4.36 -1.26 -4.79 121.20 111.20 1a63 s ILE 49 Ca 0.58 0.10 -0.06 0.00 -0.26 0.00 0.00 60.65 61.01 1a63 s ILE 49 Cb -0.46 -0.10 -0.02 0.00 1.25 0.00 0.00 42.46 43.13 1a63 s ILE 49 CO 0.53 0.04 0.17 0.72 0.24 0.00 0.00 174.94 176.64 1a63 s PHE 50 N 0.55 0.45 0.41 1.37 -0.71 0.11 -2.51 117.98 117.65 1a63 s PHE 50 Ca -0.04 -0.85 0.06 0.00 -1.04 0.00 0.00 56.93 55.06 1a63 s PHE 50 Cb -0.06 -0.19 -0.07 0.00 -1.21 0.00 0.00 43.02 41.49 1a63 s PHE 50 CO -0.02 -0.59 0.01 0.20 -1.34 0.00 0.00 175.22 173.49 1a63 s GLY 51 N -2.95 2.51 0.05 1.99 0.00 -0.20 -0.89 107.32 107.82 1a63 s GLY 51 Ca 0.14 -2.15 -0.28 0.00 0.00 0.00 0.00 44.72 42.43 1a63 s GLY 51 CO -0.04 -2.08 1.07 0.51 0.00 0.00 0.00 173.10 172.57 1a63 s ASP 52 N -3.70 -0.17 0.00 1.64 -4.77 -1.26 -1.62 116.67 106.80 1a63 s ASP 52 Ca 0.33 -0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.36 1a63 s ASP 52 Cb 0.09 0.34 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 1a63 s ASP 52 CO 0.17 -0.61 0.00 0.61 0.70 0.00 0.00 175.17 176.03 1a63 n GLY 53 N -0.41 0.29 2.95 2.12 0.00 -0.38 -4.37 105.19 105.39 1a63 n GLY 53 Ca -0.07 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.68 1.22 0.95 1.61 1.01 -0.07 -1.11 120.40 120.34 1a63 s VAL 54 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1a63 s VAL 54 Cb 0.00 -1.20 0.17 0.00 0.00 0.00 0.00 36.38 35.35 1a63 s VAL 54 CO 0.00 0.40 1.11 -0.76 0.00 0.00 0.00 175.10 175.85 1a63 s LEU 55 N 1.62 2.33 -0.05 3.92 1.43 0.01 -3.48 118.68 124.46 1a63 s LEU 55 Ca 0.05 1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1a63 s LEU 55 Cb -0.13 -4.22 0.03 0.00 0.03 0.00 0.00 46.19 41.91 1a63 s LEU 55 CO -0.09 -3.18 0.05 -0.70 0.23 0.00 0.00 176.35 172.67 1a63 s GLU 56 N -4.67 0.03 0.68 1.70 2.12 0.64 0.82 118.70 120.02 1a63 s GLU 56 Ca 0.66 0.33 -0.11 0.00 0.36 0.00 0.00 54.97 56.20 1a63 s GLU 56 Cb -0.22 -0.61 -0.00 0.00 0.26 0.00 0.00 34.13 33.56 1a63 s GLU 56 CO 0.59 -0.33 1.07 0.42 -0.54 0.00 0.00 175.26 176.46 1a63 s ILE 57 N 2.14 4.00 -0.07 -3.70 -1.09 -1.26 -1.08 121.20 120.14 1a63 s ILE 57 Ca 0.05 0.65 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1a63 s ILE 57 Cb -0.12 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1a63 s ILE 57 CO -0.03 -0.85 -0.07 -0.76 -1.23 0.00 0.00 174.94 171.99 1a63 s LEU 58 N -5.37 1.31 0.27 2.97 1.02 0.58 -4.85 118.68 114.61 1a63 s LEU 58 Ca 0.57 -0.22 0.19 0.00 0.02 0.00 0.00 54.13 54.69 1a63 s LEU 58 Cb -0.12 -0.67 0.94 0.00 0.02 0.00 0.00 46.19 46.35 1a63 s LEU 58 CO 0.53 -0.06 1.00 0.00 0.02 0.00 0.00 176.35 177.85 1a63 n GLN 59 N 4.34 -0.03 0.00 1.70 1.13 -1.26 0.26 117.38 123.52 1a63 n GLN 59 Ca -0.19 0.82 0.01 0.00 -1.94 0.00 0.00 57.00 55.70 1a63 n GLN 59 Cb 0.51 -1.59 0.03 0.00 0.11 0.00 0.00 30.24 29.30 1a63 n GLN 59 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1a63 n ASP 60 N -4.08 0.00 0.00 1.08 8.00 -1.26 -4.79 116.55 115.49 1a63 n ASP 60 Ca 0.26 0.29 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1a63 n ASP 60 Cb 0.96 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.19 0.72 3.17 0.44 0.00 0.73 -5.05 105.19 104.00 1a63 n GLY 61 Ca 0.01 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.54 0.35 -3.75 1.61 1.16 -1.21 -4.00 117.46 109.07 1a63 n PHE 62 Ca 0.00 -2.41 -0.10 0.00 -1.87 0.00 0.00 57.45 53.08 1a63 n PHE 62 Cb 0.00 -0.08 -0.05 0.00 -1.61 0.00 0.00 39.48 37.74 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 -3.39 -0.03 0.10 4.97 0.00 0.13 -0.31 107.32 108.79 1a63 s GLY 63 Ca 0.15 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.61 1a63 s GLY 63 CO 0.10 -0.43 -0.17 -1.36 0.00 0.00 0.00 173.10 171.24 1a63 s PHE 64 N -3.87 1.52 0.39 1.90 0.40 -0.24 0.18 117.98 118.25 1a63 s PHE 64 Ca 0.08 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 1a63 s PHE 64 Cb 0.01 -0.83 -0.00 0.00 0.51 0.00 0.00 43.02 42.71 1a63 s PHE 64 CO -0.06 0.15 0.55 -1.17 0.70 0.00 0.00 175.22 175.38 1a63 s LEU 65 N -1.97 3.81 0.00 -0.37 0.20 -0.39 -0.26 118.68 119.70 1a63 s LEU 65 Ca 0.04 -0.14 -0.30 0.00 0.69 0.00 0.00 54.13 54.43 1a63 s LEU 65 Cb -0.09 -2.81 0.10 0.00 -0.43 0.00 0.00 46.19 42.95 1a63 s LEU 65 CO 0.03 -0.59 1.33 -1.14 -0.29 0.00 0.00 176.35 175.69 1a63 n ARG 66 N -1.81 0.09 0.00 1.98 3.00 -1.23 -1.77 116.66 116.93 1a63 n ARG 66 Ca 0.02 -0.64 0.00 0.00 -0.00 0.00 0.00 57.85 57.24 1a63 n ARG 66 Cb 0.58 1.14 0.00 0.00 0.00 0.00 0.00 32.46 34.18 1a63 n ARG 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1a63 n SER 67 N -1.04 0.00 0.00 6.15 7.64 -1.26 -0.89 113.62 124.22 1a63 n SER 67 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1a63 n SER 67 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 1.42 -0.54 -0.43 0.00 -1.26 -4.08 120.51 112.63 1a63 n ALA 68 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1a63 n ALA 68 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1a63 n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a63 n ASP 69 N -0.42 3.36 0.00 0.00 8.00 -1.26 -3.82 116.55 122.41 1a63 n ASP 69 Ca 0.00 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.36 1a63 n ASP 69 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a63 n SER 70 N 3.73 3.25 0.00 -2.24 3.41 -1.26 -5.00 113.62 115.51 1a63 n SER 70 Ca 0.29 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1a63 n SER 70 Cb 0.23 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1a63 n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a63 n SER 71 N -1.01 0.00 0.00 4.04 7.64 -1.25 -5.00 113.62 118.04 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 -1.50 1.43 4.02 -1.26 -4.93 117.16 114.92 1a63 n TYR 72 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1a63 n TYR 72 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.00 7.72 4.32 -1.26 -5.08 117.00 122.70 1a63 n LEU 73 Ca 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 56.01 55.26 1a63 n LEU 73 Cb 0.00 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 1a63 n LEU 73 CO 0.00 -0.95 0.00 0.00 -1.22 0.00 0.00 177.39 175.22 1a63 n ALA 74 N -3.40 0.00 -3.61 -1.18 0.00 -1.26 -5.00 120.51 106.06 1a63 n ALA 74 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1a63 n ALA 74 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.69 -0.30 0.21 0.00 0.00 -1.26 -5.01 107.32 100.28 1a63 s GLY 75 Ca 0.00 1.54 -0.07 0.00 0.00 0.00 0.00 44.72 46.19 1a63 s GLY 75 CO 0.00 0.47 1.72 -0.56 0.00 0.00 0.00 173.10 174.73 1a63 h PRO 76 N 2.00 1.04 -0.76 2.90 0.13 -2.02 -2.81 132.00 132.48 1a63 h PRO 76 Ca -0.13 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a63 h PRO 76 Cb 1.15 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1a63 h PRO 76 CO 0.23 0.96 0.00 -0.25 -0.23 0.00 0.00 178.00 178.70 1a63 n ASP 77 N -4.22 2.34 -3.46 1.44 9.92 -1.26 -4.88 116.55 116.43 1a63 n ASP 77 Ca 0.04 -2.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.05 1a63 n ASP 77 Cb 0.29 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1a63 n ASP 77 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1a63 n ASP 78 N 0.21 0.00 -4.15 -2.24 9.92 -1.06 -5.05 116.55 114.17 1a63 n ASP 78 Ca 0.09 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.10 1a63 n ASP 78 Cb 0.50 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.83 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 1.38 0.27 0.53 -1.09 -0.73 -4.74 121.20 116.82 1a63 s ILE 79 Ca 0.00 -0.73 -0.19 0.00 -2.23 0.00 0.00 60.65 57.51 1a63 s ILE 79 Cb 0.00 -1.16 -0.09 0.00 -1.58 0.00 0.00 42.46 39.64 1a63 s ILE 79 CO 0.00 0.39 0.76 -0.47 -1.23 0.00 0.00 174.94 174.39 1a63 s TYR 80 N -0.28 3.55 -0.11 3.97 5.04 -0.12 -1.26 117.35 128.14 1a63 s TYR 80 Ca 0.04 1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 56.01 1a63 s TYR 80 Cb -0.08 -2.63 0.05 0.00 0.35 0.00 0.00 41.96 39.66 1a63 s TYR 80 CO 0.00 0.23 0.12 0.08 -1.34 0.00 0.00 175.55 174.64 1a63 s VAL 81 N -1.71 -0.18 0.78 3.14 1.01 0.13 -0.67 120.40 122.90 1a63 s VAL 81 Ca 0.48 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1a63 s VAL 81 Cb -0.14 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1a63 s VAL 81 CO 0.20 -0.01 1.09 -0.44 0.00 0.00 0.00 175.10 175.93 1a63 s SER 82 N 2.22 4.60 0.01 3.32 0.01 -1.26 -0.69 113.70 121.91 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 -2.17 -0.19 0.00 0.21 0.00 0.00 66.02 63.74 1a63 s SER 82 CO -0.07 -1.92 1.41 1.55 0.41 0.00 0.00 173.24 174.63 1a63 h PRO 83 N -1.05 -0.02 -1.02 12.44 0.13 -1.93 -1.37 132.00 139.18 1a63 h PRO 83 Ca -0.46 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.95 1a63 h PRO 83 Cb 1.26 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1a63 h PRO 83 CO 0.58 0.31 0.60 0.77 -0.23 0.00 0.00 178.00 180.03 1a63 h SER 84 N -0.36 0.59 0.66 1.44 0.02 -1.93 1.42 113.55 115.39 1a63 h SER 84 Ca -0.00 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1a63 h SER 84 Cb 0.34 0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1a63 h SER 84 CO 0.00 0.02 -0.32 1.56 -1.14 0.00 0.00 176.83 176.96 1a63 h GLN 85 N 0.47 -0.85 0.06 3.45 1.08 -1.79 1.19 115.11 118.73 1a63 h GLN 85 Ca 0.67 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.95 1a63 h GLN 85 Cb 1.43 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 29.02 1a63 h GLN 85 CO -0.50 -0.53 -0.22 0.82 -0.95 0.00 0.00 178.83 177.45 1a63 h ILE 86 N -1.05 0.50 -0.85 2.54 2.04 0.43 -2.13 117.51 118.97 1a63 h ILE 86 Ca -0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1a63 h ILE 86 Cb 0.71 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1a63 h ILE 86 CO 0.15 0.00 0.54 0.03 0.00 0.00 0.00 178.15 178.87 1a63 h ARG 87 N -0.38 0.98 -0.77 2.37 -0.00 0.18 0.42 114.38 117.18 1a63 h ARG 87 Ca 0.04 -0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.49 1a63 h ARG 87 Cb 0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 29.97 30.14 1a63 h ARG 87 CO -0.16 0.65 0.51 0.00 0.00 0.00 0.00 179.97 180.97 1a63 h ARG 88 N 1.01 0.96 -0.20 0.04 3.08 0.21 -2.97 114.38 116.51 1a63 h ARG 88 Ca 0.36 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1a63 h ARG 88 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1a63 h ARG 88 CO -0.15 0.64 0.00 1.19 -1.07 0.00 0.00 179.97 180.58 1a63 n PHE 89 N -4.44 0.45 -3.38 3.04 3.72 -0.99 -4.99 117.46 110.88 1a63 n PHE 89 Ca 0.09 -0.69 -0.18 0.00 -0.05 0.00 0.00 57.45 56.62 1a63 n PHE 89 Cb 0.08 -0.14 0.07 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.28 -4.83 -4.73 4.37 2.85 0.03 -4.99 115.26 107.68 1a63 n ASN 90 Ca 0.13 -0.73 -0.25 0.00 -0.11 0.00 0.00 54.58 53.63 1a63 n ASN 90 Cb 0.57 -4.91 0.09 0.00 1.24 0.00 0.00 39.78 36.77 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 -5.87 2.94 0.07 1.20 1.02 -0.58 -5.04 118.68 112.43 1a63 s LEU 91 Ca 0.30 0.05 -0.09 0.00 0.02 0.00 0.00 54.13 54.41 1a63 s LEU 91 Cb -0.05 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.62 1a63 s LEU 91 CO 0.76 -1.77 0.20 -0.13 0.02 0.00 0.00 176.35 175.42 1a63 s ARG 92 N -5.21 0.78 0.77 1.70 1.81 -1.26 -4.91 118.95 112.62 1a63 s ARG 92 Ca 0.64 -0.80 -0.13 0.00 -1.72 0.00 0.00 55.73 53.72 1a63 s ARG 92 Cb -0.08 0.32 0.06 0.00 -0.45 0.00 0.00 34.95 34.80 1a63 s ARG 92 CO 0.45 -0.24 1.17 -0.08 -0.68 0.00 0.00 175.30 175.92 1a63 s THR 93 N -3.24 2.48 0.00 0.02 -1.32 -1.26 -1.54 115.64 110.78 1a63 s THR 93 Ca 0.00 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1a63 s THR 93 Cb 0.02 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1a63 s THR 93 CO -0.08 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1a63 n GLY 94 N 0.05 2.39 3.77 6.08 0.00 0.24 -4.91 105.19 112.81 1a63 n GLY 94 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.60 5.96 -0.20 1.61 1.11 -0.59 -4.66 116.67 116.31 1a63 s ASP 95 Ca 0.00 2.28 -0.19 0.00 0.18 0.00 0.00 52.55 54.82 1a63 s ASP 95 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 1a63 s ASP 95 CO 0.00 -1.06 0.54 -0.89 1.18 0.00 0.00 175.17 174.94 1a63 s THR 96 N -1.62 5.09 0.18 -1.27 2.01 -1.26 -0.81 115.64 117.96 1a63 s THR 96 Ca 0.67 1.00 -0.08 0.00 0.31 0.00 0.00 61.69 63.59 1a63 s THR 96 Cb -0.27 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1a63 s THR 96 CO 0.32 0.17 0.27 -0.63 -0.69 0.00 0.00 174.62 174.07 1a63 s ILE 97 N 1.64 0.05 -0.12 1.82 1.01 -0.26 -0.33 121.20 125.01 1a63 s ILE 97 Ca 0.25 -1.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.30 1a63 s ILE 97 Cb -0.15 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.38 1a63 s ILE 97 CO 0.10 -0.25 0.32 -0.94 0.00 0.00 0.00 174.94 174.17 1a63 s SER 98 N -3.00 -0.34 0.28 3.58 1.04 -0.92 -1.25 113.70 113.10 1a63 s SER 98 Ca 0.20 0.65 -0.19 0.00 0.48 0.00 0.00 55.95 57.09 1a63 s SER 98 Cb 0.03 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.88 1a63 s SER 98 CO 0.02 -0.11 0.93 -0.83 0.98 0.00 0.00 173.24 174.23 1a63 s GLY 99 N 0.19 0.26 0.34 7.32 0.00 -0.64 -0.43 107.32 114.36 1a63 s GLY 99 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 1a63 s GLY 99 CO 0.00 1.32 0.69 -1.59 0.00 0.00 0.00 173.10 173.53 1a63 s LYS 100 N -2.13 3.81 0.24 2.90 0.00 -0.31 -1.03 119.74 123.22 1a63 s LYS 100 Ca 0.20 0.41 0.10 0.00 0.00 0.00 0.00 55.97 56.68 1a63 s LYS 100 Cb -0.04 -2.48 -0.05 0.00 0.00 0.00 0.00 37.83 35.26 1a63 s LYS 100 CO 0.08 0.10 -0.18 0.96 0.00 0.00 0.00 175.35 176.32 1a63 s ILE 101 N -2.15 2.14 -0.04 3.79 -4.36 -1.04 -0.51 121.20 119.02 1a63 s ILE 101 Ca 0.50 -2.27 -0.07 0.00 -0.26 0.00 0.00 60.65 58.55 1a63 s ILE 101 Cb -0.10 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.47 1a63 s ILE 101 CO 0.26 -0.45 0.18 -0.60 0.24 0.00 0.00 174.94 174.58 1a63 s ARG 102 N -3.44 0.34 -0.30 0.37 3.00 -0.29 -4.81 118.95 113.82 1a63 s ARG 102 Ca 0.25 0.02 -0.22 0.00 -1.00 0.00 0.00 55.73 54.79 1a63 s ARG 102 Cb -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 34.95 35.06 1a63 s ARG 102 CO 0.11 -0.06 0.71 -1.25 0.00 0.00 0.00 175.30 174.80 1a63 s PRO 103 N -0.47 3.97 0.00 5.12 0.04 -1.26 -1.33 135.00 141.06 1a63 s PRO 103 Ca -0.06 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1a63 s PRO 103 Cb -0.04 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1a63 s PRO 103 CO 0.01 -0.60 0.00 -0.35 0.04 0.00 0.00 177.00 176.10 1a63 n PRO 104 N 6.00 0.00 -4.40 0.56 -0.04 -1.26 -5.00 135.00 130.87 1a63 n PRO 104 Ca 0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1a63 n PRO 104 Cb 0.48 -0.02 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 1a63 n PRO 104 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1a63 s LYS 105 N 0.00 2.17 0.47 0.54 1.02 -1.26 -5.01 119.74 117.67 1a63 s LYS 105 Ca 0.00 -2.12 0.26 0.00 0.02 0.00 0.00 55.97 54.13 1a63 s LYS 105 Cb 0.00 -1.78 1.12 0.00 -0.52 0.00 0.00 37.83 36.65 1a63 s LYS 105 CO 0.00 -0.28 1.91 0.93 -0.92 0.00 0.00 175.35 176.99 1a63 h GLU 106 N 1.34 0.00 -1.37 1.68 4.39 -2.02 -2.81 114.58 115.80 1a63 h GLU 106 Ca -0.42 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.12 1a63 h GLU 106 Cb 1.28 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.85 1a63 h GLU 106 CO 0.71 0.18 0.20 0.41 -1.16 0.00 0.00 179.01 179.35 1a63 n GLY 107 N -0.10 3.00 0.03 -3.84 0.00 -1.26 -3.86 105.19 99.16 1a63 n GLY 107 Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 46.02 45.60 1a63 n GLY 107 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a63 n GLU 108 N 0.47 0.98 0.00 1.61 0.00 -1.06 -4.98 120.64 117.66 1a63 n GLU 108 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1a63 n GLU 108 Cb 0.67 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 30.77 1a63 n GLU 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1a63 n ARG 109 N -2.20 0.00 -4.19 3.44 3.00 -1.25 -4.82 116.66 110.65 1a63 n ARG 109 Ca -0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.44 1a63 n ARG 109 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.97 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 3.02 1.08 -0.14 1.51 -1.26 -5.08 117.35 116.48 1a63 s TYR 110 Ca 0.00 0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 55.93 1a63 s TYR 110 Cb 0.00 -1.59 0.23 0.00 -0.11 0.00 0.00 41.96 40.49 1a63 s TYR 110 CO 0.00 0.47 1.09 -0.06 -1.11 0.00 0.00 175.55 175.94 1a63 s PHE 111 N -1.23 1.59 0.19 2.71 0.08 -1.26 -4.73 117.98 115.33 1a63 s PHE 111 Ca 0.24 0.85 0.10 0.00 0.12 0.00 0.00 56.93 58.24 1a63 s PHE 111 Cb -0.12 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 38.99 1a63 s PHE 111 CO 0.15 -3.28 -0.21 0.00 -0.10 0.00 0.00 175.22 171.78 1a63 s ALA 112 N -2.93 2.33 0.64 5.36 0.00 -0.44 -0.94 121.76 125.77 1a63 s ALA 112 Ca 0.67 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1a63 s ALA 112 Cb -0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1a63 s ALA 112 CO 0.58 0.34 1.12 -1.17 0.00 0.00 0.00 175.76 176.63 1a63 s LEU 113 N -2.72 3.47 0.22 0.00 2.96 0.16 -1.14 118.68 121.63 1a63 s LEU 113 Ca 0.19 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1a63 s LEU 113 Cb -0.07 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1a63 s LEU 113 CO 0.09 -1.58 0.00 -0.11 -1.32 0.00 0.00 176.35 173.43 1a63 n LEU 114 N -2.17 0.27 -4.49 -0.68 7.94 0.33 -4.58 117.00 113.62 1a63 n LEU 114 Ca 0.11 0.36 -0.32 0.00 -1.11 0.00 0.00 56.01 55.05 1a63 n LEU 114 Cb 0.52 0.15 -0.13 0.00 0.53 0.00 0.00 43.42 44.48 1a63 n LEU 114 CO 0.46 -0.76 -0.45 -0.75 -1.11 0.00 0.00 177.39 174.78 1a63 s LYS 115 N -2.00 2.41 -0.14 1.96 2.20 -0.97 -4.92 119.74 118.28 1a63 s LYS 115 Ca 0.00 -0.76 -0.17 0.00 -0.36 0.00 0.00 55.97 54.68 1a63 s LYS 115 Cb 0.00 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 1a63 s LYS 115 CO 0.00 0.60 0.43 0.08 -0.36 0.00 0.00 175.35 176.10 1a63 s VAL 116 N -0.81 5.21 -0.17 4.02 1.01 -1.26 -1.16 120.40 127.25 1a63 s VAL 116 Ca 0.13 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1a63 s VAL 116 Cb -0.11 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 1a63 s VAL 116 CO 0.02 0.32 -0.13 0.59 0.00 0.00 0.00 175.10 175.91 1a63 n ASN 117 N 3.79 2.59 -3.95 3.32 3.02 0.43 -4.18 115.26 120.28 1a63 n ASN 117 Ca -0.08 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.30 1a63 n ASN 117 Cb 0.52 -0.16 -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 -2.34 0.62 -0.22 3.52 0.41 -0.79 -3.69 118.70 116.22 1a63 s GLU 118 Ca -0.21 -0.86 -0.20 0.00 -0.41 0.00 0.00 54.97 53.29 1a63 s GLU 118 Cb 0.06 0.24 0.06 0.00 -1.78 0.00 0.00 34.13 32.71 1a63 s GLU 118 CO 0.41 -0.16 0.58 0.08 -0.49 0.00 0.00 175.26 175.68 1a63 s VAL 119 N -2.99 -0.00 0.34 2.63 1.01 -1.26 -2.17 120.40 117.96 1a63 s VAL 119 Ca -0.02 0.00 0.30 0.00 0.00 0.00 0.00 61.98 62.26 1a63 s VAL 119 Cb 0.01 -0.81 0.44 0.00 0.00 0.00 0.00 36.38 36.02 1a63 s VAL 119 CO -0.06 0.00 1.01 -3.20 0.00 0.00 0.00 175.10 172.84 1a63 n ASN 120 N 2.79 0.03 -2.78 3.32 4.05 0.55 -2.17 115.26 121.06 1a63 n ASN 120 Ca -0.14 0.71 -0.10 0.00 0.45 0.00 0.00 54.58 55.50 1a63 n ASN 120 Cb 0.56 -0.35 0.08 0.00 1.23 0.00 0.00 39.78 41.30 1a63 n ASN 120 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1a63 n PHE 121 N -3.42 -2.42 -3.93 1.20 3.72 -1.26 -4.99 117.46 106.35 1a63 n PHE 121 Ca 0.28 -2.33 -0.09 0.00 -0.05 0.00 0.00 57.45 55.26 1a63 n PHE 121 Cb 1.23 1.36 -0.06 0.00 -0.94 0.00 0.00 39.48 41.08 1a63 n PHE 121 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1a63 s ASP 122 N -1.43 -0.09 0.56 4.37 1.01 -0.92 -5.15 116.67 115.03 1a63 s ASP 122 Ca 0.24 -0.82 -0.15 0.00 0.71 0.00 0.00 52.55 52.54 1a63 s ASP 122 Cb 0.31 0.54 -0.06 0.00 1.01 0.00 0.00 42.92 44.72 1a63 s ASP 122 CO -0.06 -1.04 1.01 -0.54 0.21 0.00 0.00 175.17 174.75 1a63 s LYS 123 N -3.97 3.72 0.00 8.23 -0.14 -1.26 -4.28 119.74 122.04 1a63 s LYS 123 Ca 0.18 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 55.72 1a63 s LYS 123 Cb 0.01 -2.10 0.00 0.00 -1.68 0.00 0.00 37.83 34.06 1a63 s LYS 123 CO 0.04 -0.46 1.10 -0.35 -0.76 0.00 0.00 175.35 174.92 1a63 n PRO 124 N -2.04 0.98 0.00 -1.68 -0.04 -1.24 -4.75 135.00 126.23 1a63 n PRO 124 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1a63 n PRO 124 Cb 0.54 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.63 0.00 0.00 0.54 4.07 -1.26 -4.61 120.64 120.01 1a63 n GLU 125 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1a63 n GLU 125 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 1a63 n GLU 125 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1a63 n ASN 126 N 0.00 0.00 -0.58 4.31 5.03 -1.26 -5.06 115.26 117.70 1a63 n ASN 126 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1a63 n ASN 126 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a63 n ALA 127 N 0.00 0.00 -3.34 5.41 0.00 -1.26 -5.15 120.51 116.17 1a63 n ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a63 n ALA 127 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1a63 n ALA 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1a63 s ARG 128 N -0.75 0.52 0.93 0.00 1.70 -1.26 -5.15 118.95 114.94 1a63 s ARG 128 Ca 0.00 1.06 -0.11 0.00 -0.47 0.00 0.00 55.73 56.21 1a63 s ARG 128 Cb 0.00 0.48 0.15 0.00 -0.57 0.00 0.00 34.95 35.01 1a63 s ARG 128 CO 0.00 -0.49 1.10 1.21 -1.08 0.00 0.00 175.30 176.04 1a63 s ASN 129 N 2.81 3.03 0.00 -2.89 3.84 -1.26 -5.39 114.94 115.08 1a63 s ASN 129 Ca 0.11 1.80 0.00 0.00 0.21 0.00 0.00 52.86 54.98 1a63 s ASN 129 Cb -0.14 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1a63 s ASN 129 CO -0.19 -2.97 0.37 0.29 -2.79 0.00 0.00 177.10 171.81