#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 6.16 0.35 7.83 2.47 -1.23 0.23 114.94 130.76 1a63 s ASN 2 Ca 0.00 -0.90 0.17 0.00 0.42 0.00 0.00 52.86 52.55 1a63 s ASN 2 Cb 0.00 -2.56 1.20 0.00 -1.45 0.00 0.00 41.25 38.44 1a63 s ASN 2 CO 0.00 -1.81 1.61 0.25 -3.72 0.00 0.00 177.10 173.43 1a63 h LEU 3 N 13.63 0.32 -1.29 3.21 5.85 -1.34 1.79 115.31 137.47 1a63 h LEU 3 Ca -0.01 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1a63 h LEU 3 Cb 1.03 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1a63 h LEU 3 CO 1.34 -0.32 0.35 0.74 -0.34 0.00 0.00 178.44 180.21 1a63 h THR 4 N 0.12 1.18 -0.17 1.05 2.02 -1.86 -0.31 112.91 114.93 1a63 h THR 4 Ca 0.78 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 67.46 1a63 h THR 4 Cb 1.95 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1a63 h THR 4 CO -0.72 0.19 -0.20 1.05 0.37 0.00 0.00 175.52 176.22 1a63 h GLU 5 N 0.85 0.43 -0.44 6.66 4.11 0.23 -0.54 114.58 125.88 1a63 h GLU 5 Ca 0.22 -0.24 0.08 0.00 0.07 0.00 0.00 59.36 59.49 1a63 h GLU 5 Cb -0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1a63 h GLU 5 CO -0.04 0.81 -0.01 -0.07 0.07 0.00 0.00 179.01 179.78 1a63 h LEU 6 N 0.08 -0.20 -1.14 3.06 3.38 -0.47 -0.14 115.31 119.88 1a63 h LEU 6 Ca 0.02 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1a63 h LEU 6 Cb 0.74 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1a63 h LEU 6 CO 0.05 -0.06 -0.02 0.11 0.09 0.00 0.00 178.44 178.60 1a63 h LYS 7 N 0.10 0.57 0.00 1.13 1.57 -0.97 -2.42 116.57 116.55 1a63 h LYS 7 Ca 0.22 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1a63 h LYS 7 Cb 0.32 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1a63 h LYS 7 CO -0.37 0.61 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.16 1a63 h ASN 8 N 0.54 0.00 -3.40 0.86 2.35 0.65 -3.42 115.58 113.16 1a63 h ASN 8 Ca 0.11 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.34 1a63 h ASN 8 Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.77 1a63 h ASN 8 CO 0.02 0.05 0.55 -0.89 -1.65 0.00 0.00 177.43 175.50 1a63 s THR 9 N -4.41 3.74 0.65 2.81 2.01 -0.90 -5.00 115.64 114.54 1a63 s THR 9 Ca -0.04 1.40 -0.17 0.00 0.31 0.00 0.00 61.69 63.19 1a63 s THR 9 Cb 0.14 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1a63 s THR 9 CO 0.55 0.19 1.21 -2.16 -0.69 0.00 0.00 174.62 173.72 1a63 s PRO 10 N 0.14 2.62 0.25 4.92 0.04 -1.26 -4.64 135.00 137.06 1a63 s PRO 10 Ca 0.54 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 1a63 s PRO 10 Cb -0.31 -1.89 0.35 0.00 0.04 0.00 0.00 34.50 32.69 1a63 s PRO 10 CO 0.34 -1.47 1.59 -0.24 0.04 0.00 0.00 177.00 177.26 1a63 h VAL 11 N 0.37 0.16 -0.87 -0.36 3.04 -1.94 0.32 116.25 116.96 1a63 h VAL 11 Ca -0.49 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.25 1a63 h VAL 11 Cb 1.30 0.16 -0.06 0.00 -2.01 0.00 0.00 31.29 30.68 1a63 h VAL 11 CO 0.53 0.00 0.54 0.28 -1.01 0.00 0.00 177.57 177.91 1a63 h SER 12 N -0.01 0.87 0.60 3.17 0.02 -1.99 0.13 113.55 116.34 1a63 h SER 12 Ca 0.39 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.29 1a63 h SER 12 Cb 0.61 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1a63 h SER 12 CO -0.86 0.57 -0.31 -0.33 -1.14 0.00 0.00 176.83 174.76 1a63 h GLU 13 N 1.01 0.00 -0.22 3.45 4.39 -0.81 -0.81 114.58 121.59 1a63 h GLU 13 Ca 0.37 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.96 1a63 h GLU 13 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1a63 h GLU 13 CO -0.16 0.31 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.64 1a63 h LEU 14 N 0.00 0.63 -0.65 1.33 4.07 0.13 -0.52 115.31 120.30 1a63 h LEU 14 Ca -0.00 -0.50 -0.11 0.00 0.08 0.00 0.00 57.88 57.34 1a63 h LEU 14 Cb 0.69 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1a63 h LEU 14 CO 0.04 1.01 -0.14 0.40 -1.08 0.00 0.00 178.44 178.67 1a63 h ILE 15 N 0.27 1.27 -0.59 1.22 5.03 -0.54 -0.47 117.51 123.70 1a63 h ILE 15 Ca 0.03 -1.27 -0.07 0.00 -0.12 0.00 0.00 64.86 63.42 1a63 h ILE 15 Cb 0.86 1.05 -0.02 0.00 -3.03 0.00 0.00 36.82 35.67 1a63 h ILE 15 CO 0.07 0.44 0.08 0.74 -0.68 0.00 0.00 178.15 178.80 1a63 h THR 16 N 0.81 1.25 -0.57 -0.27 2.02 -1.09 -0.03 112.91 115.03 1a63 h THR 16 Ca 0.12 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 1a63 h THR 16 Cb 0.68 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1a63 h THR 16 CO 0.05 0.37 0.06 -0.07 0.37 0.00 0.00 175.52 176.29 1a63 h LEU 17 N 0.91 0.90 -0.42 2.58 4.07 -0.72 -0.89 115.31 121.73 1a63 h LEU 17 Ca 0.18 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1a63 h LEU 17 Cb 0.42 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1a63 h LEU 17 CO 0.01 0.92 -0.13 1.23 -1.08 0.00 0.00 178.44 179.40 1a63 h GLY 18 N 1.01 0.90 1.12 0.83 0.00 -0.61 -2.50 103.07 103.82 1a63 h GLY 18 Ca 0.17 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.76 1a63 h GLY 18 CO 0.02 0.69 0.57 1.05 0.00 0.00 0.00 176.54 178.87 1a63 h GLU 19 N 0.65 1.11 0.00 4.80 -0.00 0.54 0.83 114.58 122.51 1a63 h GLU 19 Ca 0.10 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.36 59.38 1a63 h GLU 19 Cb 0.67 -0.25 -0.00 0.00 -0.00 0.00 0.00 28.75 29.17 1a63 h GLU 19 CO 0.05 0.74 -0.07 -0.91 -0.00 0.00 0.00 179.01 178.81 1a63 h ASN 20 N 1.15 0.00 -0.73 3.06 4.21 -0.76 -1.68 115.58 120.83 1a63 h ASN 20 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1a63 h ASN 20 Cb -0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1a63 h ASN 20 CO -0.08 0.07 0.00 0.23 -1.29 0.00 0.00 177.43 176.37 1a63 n MET 21 N -4.29 2.90 0.00 0.81 2.81 0.34 -4.94 117.12 114.76 1a63 n MET 21 Ca -0.03 -2.71 0.00 0.00 -1.81 0.00 0.00 57.70 53.15 1a63 n MET 21 Cb 0.16 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.58 2.45 3.57 3.03 0.00 -0.03 -4.96 105.19 110.83 1a63 n GLY 22 Ca 0.25 0.00 -0.42 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 3.38 0.53 0.99 1.02 0.26 -4.85 118.68 120.02 1a63 s LEU 23 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.22 1a63 s LEU 23 Cb 0.00 -3.01 0.02 0.00 0.02 0.00 0.00 46.19 43.21 1a63 s LEU 23 CO 0.00 -1.62 0.19 -1.83 0.02 0.00 0.00 176.35 173.12 1a63 s GLU 24 N 5.26 2.23 -0.83 1.70 -1.05 -1.26 -1.15 118.70 123.59 1a63 s GLU 24 Ca 0.44 -2.24 0.00 0.00 -0.15 0.00 0.00 54.97 53.02 1a63 s GLU 24 Cb -0.08 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 1a63 s GLU 24 CO 0.23 -0.50 0.00 -1.71 0.95 0.00 0.00 175.26 174.23 1a63 n ASN 25 N -1.52 -4.94 0.14 0.83 4.05 -1.26 -4.86 115.26 107.69 1a63 n ASN 25 Ca -0.11 0.19 0.13 0.00 0.45 0.00 0.00 54.58 55.24 1a63 n ASN 25 Cb 0.66 -3.13 0.42 0.00 1.23 0.00 0.00 39.78 38.95 1a63 n ASN 25 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1a63 h LEU 26 N 0.00 0.00 -1.86 1.20 3.38 -1.94 -3.28 115.31 112.82 1a63 h LEU 26 Ca -0.16 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.13 1a63 h LEU 26 Cb 0.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1a63 h LEU 26 CO 0.24 0.00 0.89 0.00 0.09 0.00 0.00 178.44 179.66 1a63 h ALA 27 N 2.35 2.99 0.16 1.53 0.00 -1.97 0.31 119.26 124.64 1a63 h ALA 27 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1a63 h ALA 27 Cb 0.66 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.56 1a63 h ALA 27 CO 0.00 -1.46 -1.30 0.00 0.00 0.00 0.00 179.25 176.49 1a63 h ARG 28 N 0.00 0.46 -7.26 0.00 3.08 -1.98 -3.46 114.38 105.21 1a63 h ARG 28 Ca 0.52 -0.71 -0.46 0.00 0.07 0.00 0.00 59.98 59.41 1a63 h ARG 28 Cb 2.30 0.25 0.08 0.00 0.08 0.00 0.00 29.97 32.68 1a63 h ARG 28 CO -0.01 1.32 0.21 0.00 -1.07 0.00 0.00 179.97 180.43 1a63 s MET 29 N -2.77 2.26 0.51 0.04 0.23 0.11 -5.10 119.30 114.58 1a63 s MET 29 Ca -0.07 -0.27 -0.02 0.00 -1.03 0.00 0.00 55.69 54.30 1a63 s MET 29 Cb 0.06 -2.19 0.10 0.00 -1.53 0.00 0.00 34.83 31.27 1a63 s MET 29 CO 0.92 -1.18 0.69 0.54 -2.03 0.00 0.00 175.02 173.96 1a63 n ARG 30 N -2.87 -0.07 0.07 3.16 5.12 -1.26 -4.87 116.66 115.93 1a63 n ARG 30 Ca 0.08 -1.66 -0.02 0.00 -1.93 0.00 0.00 57.85 54.32 1a63 n ARG 30 Cb 0.60 -0.53 0.22 0.00 -1.16 0.00 0.00 32.46 31.60 1a63 n ARG 30 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1a63 h LYS 31 N 0.00 0.33 0.40 5.56 2.10 -1.95 -0.77 116.57 122.24 1a63 h LYS 31 Ca -0.23 -0.14 -0.02 0.00 -2.00 0.00 0.00 60.65 58.26 1a63 h LYS 31 Cb 0.78 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1a63 h LYS 31 CO 0.22 0.64 -0.19 1.96 -2.00 0.00 0.00 179.45 180.08 1a63 h GLN 32 N 0.28 -0.51 -0.56 0.07 1.08 -1.99 -0.53 115.11 112.94 1a63 h GLN 32 Ca 0.03 0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1a63 h GLN 32 Cb 0.74 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1a63 h GLN 32 CO 0.06 -0.22 -0.05 0.38 -0.95 0.00 0.00 178.83 178.05 1a63 h ASP 33 N -0.79 0.99 -0.86 1.46 3.04 -1.95 -1.58 116.42 116.74 1a63 h ASP 33 Ca -0.05 -0.30 -0.01 0.00 -3.24 0.00 0.00 57.03 53.43 1a63 h ASP 33 Cb 0.53 -0.27 -0.04 0.00 -1.04 0.00 0.00 39.33 38.51 1a63 h ASP 33 CO 0.09 1.07 0.50 0.40 -2.04 0.00 0.00 179.24 179.26 1a63 h ILE 34 N 0.91 1.24 -0.35 4.15 2.04 -1.11 -2.00 117.51 122.39 1a63 h ILE 34 Ca 0.15 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 1a63 h ILE 34 Cb 0.60 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1a63 h ILE 34 CO 0.04 0.26 -0.17 -0.29 0.00 0.00 0.00 178.15 177.99 1a63 h ILE 35 N 1.18 1.26 -0.62 -0.67 2.10 -0.73 -1.91 117.51 118.12 1a63 h ILE 35 Ca 0.30 -1.20 0.00 0.00 1.08 0.00 0.00 64.86 65.04 1a63 h ILE 35 Cb -0.01 1.18 -0.03 0.00 -1.09 0.00 0.00 36.82 36.86 1a63 h ILE 35 CO -0.05 0.40 0.40 -0.26 -1.08 0.00 0.00 178.15 177.55 1a63 h PHE 36 N 0.58 0.80 0.31 2.19 0.04 -0.67 -0.16 116.94 120.04 1a63 h PHE 36 Ca 0.09 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1a63 h PHE 36 Cb 0.62 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1a63 h PHE 36 CO 0.03 0.53 -0.15 0.00 -0.60 0.00 0.00 178.31 178.12 1a63 h ALA 37 N 1.21 -0.41 -0.63 2.45 0.00 -1.08 -2.10 119.26 118.70 1a63 h ALA 37 Ca 0.23 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1a63 h ALA 37 Cb -0.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1a63 h ALA 37 CO -0.05 -0.60 0.45 0.82 0.00 0.00 0.00 179.25 179.88 1a63 h ILE 38 N -0.68 0.69 -0.38 0.00 2.04 -1.19 0.17 117.51 118.16 1a63 h ILE 38 Ca -0.04 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1a63 h ILE 38 Cb 0.48 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1a63 h ILE 38 CO 0.07 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 178.01 1a63 h LEU 39 N 0.01 0.78 -0.61 1.44 3.38 -0.58 -0.01 115.31 119.70 1a63 h LEU 39 Ca 0.30 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1a63 h LEU 39 Cb 1.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1a63 h LEU 39 CO -0.01 0.99 0.02 0.11 0.09 0.00 0.00 178.44 179.65 1a63 h LYS 40 N 0.56 1.07 0.04 1.13 1.57 -0.09 -0.12 116.57 120.73 1a63 h LYS 40 Ca 0.09 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1a63 h LYS 40 Cb 0.68 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1a63 h LYS 40 CO 0.05 1.03 -0.02 1.96 -0.57 0.00 0.00 179.45 181.90 1a63 h GLN 41 N 0.97 -0.05 -0.58 3.15 1.08 -0.96 -1.49 115.11 117.24 1a63 h GLN 41 Ca 0.18 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1a63 h GLN 41 Cb 0.54 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1a63 h GLN 41 CO 0.03 0.57 0.23 1.25 -0.95 0.00 0.00 178.83 179.96 1a63 h HIS 42 N -0.73 0.85 -0.09 2.96 2.76 -1.04 -1.42 115.15 118.44 1a63 h HIS 42 Ca -0.01 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.04 1a63 h HIS 42 Cb 0.64 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1a63 h HIS 42 CO 0.14 0.65 -0.31 0.00 -1.30 0.00 0.00 177.93 177.12 1a63 h ALA 43 N 1.42 1.32 -0.97 5.26 0.00 -1.04 -2.36 119.26 122.89 1a63 h ALA 43 Ca 0.20 -0.32 0.25 0.00 0.00 0.00 0.00 54.91 55.04 1a63 h ALA 43 Cb 0.16 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.74 1a63 h ALA 43 CO -0.02 0.48 0.53 -0.22 0.00 0.00 0.00 179.25 180.02 1a63 h LYS 44 N 0.15 0.46 0.00 0.00 1.63 -0.14 3.42 116.57 122.09 1a63 h LYS 44 Ca 0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a63 h LYS 44 Cb 0.63 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1a63 h LYS 44 CO 0.05 0.31 0.00 0.43 -3.45 0.00 0.00 179.45 176.78 1a63 n SER 45 N -4.97 0.14 -1.36 4.20 7.64 -0.89 -4.84 113.62 113.54 1a63 n SER 45 Ca 0.27 0.55 -0.12 0.00 1.01 0.00 0.00 58.87 60.57 1a63 n SER 45 Cb 0.77 -0.57 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.58 -0.09 3.95 0.23 0.00 1.14 -5.02 105.19 104.82 1a63 n GLY 46 Ca 0.02 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.56 2.44 0.55 1.61 4.04 -1.26 -5.04 118.70 116.48 1a63 s GLU 47 Ca 0.00 -0.44 -0.19 0.00 0.04 0.00 0.00 54.97 54.38 1a63 s GLU 47 Cb 0.00 -2.32 -0.06 0.00 0.02 0.00 0.00 34.13 31.78 1a63 s GLU 47 CO 0.00 -0.94 1.09 -0.51 -1.84 0.00 0.00 175.26 173.06 1a63 s ASP 48 N -4.45 5.83 -0.09 0.83 1.01 -1.26 -4.89 116.67 113.65 1a63 s ASP 48 Ca 0.58 2.05 -0.15 0.00 0.71 0.00 0.00 52.55 55.74 1a63 s ASP 48 Cb -0.11 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.29 1a63 s ASP 48 CO 0.42 -1.14 0.37 0.27 0.21 0.00 0.00 175.17 175.31 1a63 s ILE 49 N -1.97 0.02 0.24 0.77 -4.36 -1.26 -4.65 121.20 109.99 1a63 s ILE 49 Ca 0.70 -0.17 -0.01 0.00 -0.26 0.00 0.00 60.65 60.91 1a63 s ILE 49 Cb -0.21 -0.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 1a63 s ILE 49 CO 0.28 -0.09 0.21 0.72 0.24 0.00 0.00 174.94 176.29 1a63 s PHE 50 N -0.41 1.20 0.32 1.37 -0.12 0.14 -3.22 117.98 117.25 1a63 s PHE 50 Ca -0.05 -1.37 0.06 0.00 -0.05 0.00 0.00 56.93 55.52 1a63 s PHE 50 Cb -0.03 -0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 41.79 1a63 s PHE 50 CO 0.02 -0.74 -0.03 0.20 -0.05 0.00 0.00 175.22 174.63 1a63 s GLY 51 N -3.19 2.02 -0.06 1.99 0.00 -0.29 -0.80 107.32 106.99 1a63 s GLY 51 Ca 0.37 -2.02 -0.31 0.00 0.00 0.00 0.00 44.72 42.76 1a63 s GLY 51 CO 0.15 -1.89 1.12 0.51 0.00 0.00 0.00 173.10 172.99 1a63 s ASP 52 N -3.51 -0.18 0.00 1.64 1.47 -1.26 -1.57 116.67 113.26 1a63 s ASP 52 Ca 0.32 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.97 1a63 s ASP 52 Cb 0.06 0.25 0.00 0.00 -0.34 0.00 0.00 42.92 42.89 1a63 s ASP 52 CO 0.14 -0.43 0.00 0.61 0.68 0.00 0.00 175.17 176.18 1a63 n GLY 53 N -0.26 0.15 2.95 2.12 0.00 -0.40 -4.59 105.19 105.15 1a63 n GLY 53 Ca -0.05 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.86 1.12 0.91 1.61 1.01 -0.32 -1.16 120.40 119.70 1a63 s VAL 54 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1a63 s VAL 54 Cb 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 36.38 35.43 1a63 s VAL 54 CO 0.00 0.37 1.12 -0.76 0.00 0.00 0.00 175.10 175.84 1a63 s LEU 55 N 1.40 2.64 -0.10 3.92 1.43 0.05 -2.65 118.68 125.36 1a63 s LEU 55 Ca -0.00 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.08 1a63 s LEU 55 Cb -0.13 -4.40 0.04 0.00 0.03 0.00 0.00 46.19 41.72 1a63 s LEU 55 CO -0.05 -2.98 0.04 -0.70 0.23 0.00 0.00 176.35 172.89 1a63 s GLU 56 N -4.70 0.29 0.54 1.70 -6.30 0.70 0.54 118.70 111.47 1a63 s GLU 56 Ca 0.66 0.06 -0.08 0.00 -2.50 0.00 0.00 54.97 53.11 1a63 s GLU 56 Cb -0.22 -1.20 -0.04 0.00 0.00 0.00 0.00 34.13 32.67 1a63 s GLU 56 CO 0.58 -0.45 0.89 0.42 0.02 0.00 0.00 175.26 176.73 1a63 s ILE 57 N 2.05 4.82 -0.03 -3.70 -1.09 -1.26 -1.04 121.20 120.95 1a63 s ILE 57 Ca 0.03 0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.99 1a63 s ILE 57 Cb -0.14 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1a63 s ILE 57 CO -0.06 -0.96 -0.12 -0.76 -1.23 0.00 0.00 174.94 171.81 1a63 s LEU 58 N -4.88 1.83 0.43 2.97 1.02 0.53 -4.90 118.68 115.68 1a63 s LEU 58 Ca 0.51 -0.24 0.33 0.00 0.02 0.00 0.00 54.13 54.74 1a63 s LEU 58 Cb -0.11 -0.69 1.43 0.00 0.02 0.00 0.00 46.19 46.84 1a63 s LEU 58 CO 0.48 0.10 1.45 1.67 0.02 0.00 0.00 176.35 180.07 1a63 n GLN 59 N 3.23 -0.03 0.00 1.70 7.27 -1.26 0.20 117.38 128.49 1a63 n GLN 59 Ca -0.18 1.14 0.01 0.00 0.07 0.00 0.00 57.00 58.04 1a63 n GLN 59 Cb 0.54 -2.31 0.04 0.00 2.41 0.00 0.00 30.24 30.92 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 -4.45 0.00 0.00 1.69 9.92 -1.26 -4.80 116.55 117.65 1a63 n ASP 60 Ca 0.38 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 1a63 n ASP 60 Cb 1.53 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 41.62 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 -1.24 0.76 3.57 0.44 0.00 0.54 -5.06 105.19 104.21 1a63 n GLY 61 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.13 1.79 0.30 1.61 -0.12 -1.23 -4.12 117.98 114.08 1a63 s PHE 62 Ca 0.00 -1.24 -0.15 0.00 -0.05 0.00 0.00 56.93 55.49 1a63 s PHE 62 Cb 0.00 -1.25 0.02 0.00 -0.63 0.00 0.00 43.02 41.16 1a63 s PHE 62 CO 0.00 -0.21 0.61 0.20 -0.05 0.00 0.00 175.22 175.78 1a63 s GLY 63 N -3.68 0.42 0.13 1.99 0.00 -0.17 -0.35 107.32 105.67 1a63 s GLY 63 Ca 0.19 -0.75 0.06 0.00 0.00 0.00 0.00 44.72 44.22 1a63 s GLY 63 CO 0.12 -0.44 -0.14 -1.36 0.00 0.00 0.00 173.10 171.27 1a63 s PHE 64 N -3.55 1.45 -0.17 1.90 0.08 -0.20 0.07 117.98 117.56 1a63 s PHE 64 Ca 0.18 -0.55 -0.10 0.00 0.12 0.00 0.00 56.93 56.59 1a63 s PHE 64 Cb -0.03 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 1a63 s PHE 64 CO 0.10 0.17 0.16 -1.17 -0.10 0.00 0.00 175.22 174.37 1a63 s LEU 65 N -2.49 4.27 0.00 -0.37 0.20 -0.31 -0.22 118.68 119.77 1a63 s LEU 65 Ca 0.10 0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.27 1a63 s LEU 65 Cb -0.05 -2.12 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 1a63 s LEU 65 CO 0.03 0.24 0.00 -2.11 -0.29 0.00 0.00 176.35 174.23 1a63 n ARG 66 N 3.02 0.00 0.00 1.98 1.85 -1.09 -1.80 116.66 120.63 1a63 n ARG 66 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 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 -1.18 113.62 121.71 1a63 n SER 67 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a63 n SER 67 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.89 -1.00 -0.43 0.00 -1.26 -3.62 120.51 113.08 1a63 n ALA 68 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1a63 n ALA 68 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.58 0.00 0.00 0.00 5.68 -1.26 -5.05 116.55 113.34 1a63 n ASP 69 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1a63 n ASP 69 Cb 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a63 n SER 70 N 0.00 0.00 0.00 -1.12 7.64 -1.26 -5.02 113.62 113.86 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 -4.91 113.62 121.52 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 -0.23 1.43 4.01 -1.26 -4.90 117.16 116.20 1a63 n TYR 72 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1a63 n TYR 72 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 4.32 -1.26 -5.04 117.00 122.74 1a63 n LEU 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1a63 n LEU 73 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1a63 n LEU 73 CO 0.00 -0.22 0.00 0.00 -1.22 0.00 0.00 177.39 175.95 1a63 n ALA 74 N -3.00 0.00 0.00 -1.18 0.00 -1.26 -4.92 120.51 110.14 1a63 n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a63 n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 3.54 0.37 0.00 0.00 -1.26 -4.94 105.19 102.90 1a63 n GLY 75 Ca 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 0.65 -0.47 1.61 0.13 -1.97 0.27 132.00 132.23 1a63 h PRO 76 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1a63 h PRO 76 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 1a63 h PRO 76 CO 0.00 0.43 0.00 -0.25 -0.23 0.00 0.00 178.00 177.95 1a63 n ASP 77 N -4.55 1.77 0.00 1.44 8.00 -1.26 -4.82 116.55 117.13 1a63 n ASP 77 Ca 0.17 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1a63 n ASP 77 Cb 0.47 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.22 0.00 -4.70 -2.24 9.92 0.95 -4.79 116.55 115.91 1a63 n ASP 78 Ca 0.09 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.93 1a63 n ASP 78 Cb 0.34 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.78 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 4.92 0.39 0.53 -1.09 -0.75 -4.66 121.20 120.55 1a63 s ILE 79 Ca 0.00 1.76 -0.24 0.00 -2.23 0.00 0.00 60.65 59.93 1a63 s ILE 79 Cb 0.00 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 1a63 s ILE 79 CO 0.00 0.14 1.07 -0.47 -1.23 0.00 0.00 174.94 174.45 1a63 s TYR 80 N 1.33 3.26 -0.15 3.97 5.04 -0.13 -1.16 117.35 129.51 1a63 s TYR 80 Ca 0.44 1.64 -0.04 0.00 -2.44 0.00 0.00 57.07 56.67 1a63 s TYR 80 Cb -0.19 -3.17 0.05 0.00 0.35 0.00 0.00 41.96 39.01 1a63 s TYR 80 CO 0.20 -0.70 0.06 0.08 -1.34 0.00 0.00 175.55 173.85 1a63 s VAL 81 N -1.60 0.09 0.79 3.14 1.01 0.11 -0.81 120.40 123.14 1a63 s VAL 81 Ca 0.57 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1a63 s VAL 81 Cb -0.24 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.60 1a63 s VAL 81 CO 0.30 -0.14 1.10 -0.44 0.00 0.00 0.00 175.10 175.91 1a63 s SER 82 N 2.06 4.58 0.02 3.32 0.01 -1.26 -1.00 113.70 121.43 1a63 s SER 82 Ca 0.02 1.31 -0.25 0.00 1.31 0.00 0.00 55.95 58.34 1a63 s SER 82 Cb -0.15 -2.05 -0.18 0.00 0.21 0.00 0.00 66.02 63.85 1a63 s SER 82 CO -0.07 -1.92 1.45 1.55 0.41 0.00 0.00 173.24 174.66 1a63 h PRO 83 N -1.05 -0.00 -0.99 12.44 0.13 -1.95 -1.46 132.00 139.11 1a63 h PRO 83 Ca -0.47 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.93 1a63 h PRO 83 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1a63 h PRO 83 CO 0.59 0.29 0.57 0.66 -0.23 0.00 0.00 178.00 179.88 1a63 h SER 84 N -0.30 0.60 0.62 1.44 4.64 -1.94 1.71 113.55 120.32 1a63 h SER 84 Ca -0.00 0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1a63 h SER 84 Cb 0.30 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1a63 h SER 84 CO 0.00 0.03 -0.30 1.56 -0.87 0.00 0.00 176.83 177.25 1a63 h GLN 85 N 0.50 -0.80 0.28 4.77 1.08 -1.79 1.60 115.11 120.74 1a63 h GLN 85 Ca 0.66 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.92 1a63 h GLN 85 Cb 1.33 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.92 1a63 h GLN 85 CO -0.52 -0.49 -0.27 0.82 -0.95 0.00 0.00 178.83 177.43 1a63 h ILE 86 N -0.99 0.43 -0.75 2.54 2.04 0.34 -2.56 117.51 118.55 1a63 h ILE 86 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1a63 h ILE 86 Cb 0.68 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1a63 h ILE 86 CO 0.14 0.00 0.46 0.03 0.00 0.00 0.00 178.15 178.78 1a63 h ARG 87 N -0.58 0.84 -0.65 2.37 2.47 0.24 0.54 114.38 119.61 1a63 h ARG 87 Ca -0.01 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1a63 h ARG 87 Cb 0.53 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 1a63 h ARG 87 CO -0.05 0.55 0.43 0.00 0.56 0.00 0.00 179.97 181.46 1a63 h ARG 88 N 0.86 0.76 -0.12 0.04 3.08 0.27 -2.98 114.38 116.29 1a63 h ARG 88 Ca 0.32 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1a63 h ARG 88 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1a63 h ARG 88 CO -0.15 0.50 0.00 1.19 -1.07 0.00 0.00 179.97 180.44 1a63 n PHE 89 N -4.46 0.30 -3.41 3.04 3.72 -1.00 -4.99 117.46 110.65 1a63 n PHE 89 Ca 0.08 -0.75 -0.19 0.00 -0.05 0.00 0.00 57.45 56.54 1a63 n PHE 89 Cb 0.13 -0.14 0.07 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.64 -4.57 -4.12 4.37 4.05 0.08 -4.99 115.26 109.44 1a63 n ASN 90 Ca 0.12 -0.74 -0.23 0.00 0.45 0.00 0.00 54.58 54.18 1a63 n ASN 90 Cb 0.56 -4.80 0.13 0.00 1.23 0.00 0.00 39.78 36.90 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 -3.72 0.00 -3.53 1.20 4.32 -0.58 -5.04 117.00 109.65 1a63 n LEU 91 Ca -0.16 -1.72 -0.12 0.00 -0.02 0.00 0.00 56.01 53.98 1a63 n LEU 91 Cb 0.64 -0.69 -0.04 0.00 -1.62 0.00 0.00 43.42 41.71 1a63 n LEU 91 CO 0.62 -1.07 0.30 -0.13 -1.22 0.00 0.00 177.39 175.89 1a63 s ARG 92 N -5.08 1.14 0.72 3.23 0.52 -1.26 -4.93 118.95 113.29 1a63 s ARG 92 Ca 0.62 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 55.24 1a63 s ARG 92 Cb -0.03 0.52 0.03 0.00 0.52 0.00 0.00 34.95 35.99 1a63 s ARG 92 CO 0.42 -0.46 1.17 -0.08 0.02 0.00 0.00 175.30 176.38 1a63 s THR 93 N -3.31 2.59 0.00 0.02 -1.32 -1.26 -1.67 115.64 110.68 1a63 s THR 93 Ca -0.01 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 1a63 s THR 93 Cb -0.00 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.18 1a63 s THR 93 CO -0.09 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 1a63 n GLY 94 N 0.10 2.65 3.81 6.08 0.00 0.19 -4.91 105.19 113.11 1a63 n GLY 94 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1a63 n GLY 94 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a63 s ASP 95 N -3.44 5.61 -0.20 1.61 -4.77 -0.67 -4.69 116.67 110.11 1a63 s ASP 95 Ca 0.00 1.74 -0.13 0.00 -3.30 0.00 0.00 52.55 50.86 1a63 s ASP 95 Cb 0.00 -2.52 -0.05 0.00 -1.09 0.00 0.00 42.92 39.27 1a63 s ASP 95 CO 0.00 -1.29 0.26 -0.89 0.70 0.00 0.00 175.17 173.95 1a63 s THR 96 N -2.69 5.31 0.18 2.11 2.01 -1.26 -0.77 115.64 120.53 1a63 s THR 96 Ca 0.61 0.43 -0.09 0.00 0.31 0.00 0.00 61.69 62.96 1a63 s THR 96 Cb -0.15 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1a63 s THR 96 CO 0.44 0.34 0.30 -0.63 -0.69 0.00 0.00 174.62 174.39 1a63 s ILE 97 N 0.88 0.05 -0.12 1.82 1.01 -0.31 -0.27 121.20 124.27 1a63 s ILE 97 Ca 0.13 -1.42 -0.09 0.00 0.00 0.00 0.00 60.65 59.27 1a63 s ILE 97 Cb -0.13 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.44 1a63 s ILE 97 CO 0.04 -0.23 0.31 -0.94 0.00 0.00 0.00 174.94 174.12 1a63 s SER 98 N -2.99 -0.33 0.34 3.58 1.04 -0.94 -1.28 113.70 113.13 1a63 s SER 98 Ca 0.19 0.63 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 1a63 s SER 98 Cb 0.03 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.81 1a63 s SER 98 CO 0.02 -0.13 0.86 -0.83 0.98 0.00 0.00 173.24 174.14 1a63 s GLY 99 N 0.53 0.34 0.30 7.32 0.00 -0.61 -0.21 107.32 114.98 1a63 s GLY 99 Ca -0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 44.72 43.90 1a63 s GLY 99 CO -0.03 0.46 0.64 0.54 0.00 0.00 0.00 173.10 174.71 1a63 s LYS 100 N -2.14 3.82 0.22 2.90 1.02 -0.33 -1.13 119.74 124.10 1a63 s LYS 100 Ca 0.18 0.38 0.11 0.00 0.02 0.00 0.00 55.97 56.65 1a63 s LYS 100 Cb -0.04 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 1a63 s LYS 100 CO 0.10 0.19 -0.20 0.96 -0.92 0.00 0.00 175.35 175.47 1a63 s ILE 101 N -2.02 2.23 -0.03 2.17 -4.36 -1.20 -0.37 121.20 117.63 1a63 s ILE 101 Ca 0.49 -2.16 -0.08 0.00 -0.26 0.00 0.00 60.65 58.64 1a63 s ILE 101 Cb -0.11 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.49 1a63 s ILE 101 CO 0.24 -0.31 0.19 -0.60 0.24 0.00 0.00 174.94 174.70 1a63 s ARG 102 N -3.09 0.42 -0.44 0.37 6.06 -0.35 -4.82 118.95 117.11 1a63 s ARG 102 Ca 0.23 -0.11 -0.21 0.00 -2.50 0.00 0.00 55.73 53.14 1a63 s ARG 102 Cb -0.06 0.19 0.02 0.00 0.06 0.00 0.00 34.95 35.16 1a63 s ARG 102 CO 0.11 -0.09 0.69 -1.25 -2.50 0.00 0.00 175.30 172.25 1a63 s PRO 103 N -0.82 3.35 0.00 5.12 0.04 -1.26 -1.30 135.00 140.13 1a63 s PRO 103 Ca -0.09 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1a63 s PRO 103 Cb -0.05 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1a63 s PRO 103 CO 0.02 -1.02 0.00 -0.35 0.04 0.00 0.00 177.00 175.68 1a63 n PRO 104 N 6.39 2.84 -3.61 0.56 -0.04 -1.26 -5.00 135.00 134.88 1a63 n PRO 104 Ca -0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1a63 n PRO 104 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 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 2.31 1.01 0.54 3.01 -1.26 -5.04 119.74 120.30 1a63 s LYS 105 Ca 0.00 -1.85 -0.13 0.00 -1.01 0.00 0.00 55.97 52.98 1a63 s LYS 105 Cb 0.00 -2.29 0.19 0.00 -1.01 0.00 0.00 37.83 34.73 1a63 s LYS 105 CO 0.00 -0.63 0.43 0.39 0.51 0.00 0.00 175.35 176.05 1a63 n GLU 106 N -1.87 -2.48 0.00 1.68 -0.58 -1.26 -2.72 120.64 113.41 1a63 n GLU 106 Ca 0.04 -0.74 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 1a63 n GLU 106 Cb 0.63 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 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 2.44 2.02 0.12 0.62 0.00 -1.26 -4.69 105.19 104.44 1a63 n GLY 107 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1a63 n GLY 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1a63 h GLU 108 N 0.00 0.29 0.00 1.61 -0.00 -1.92 -3.47 114.58 111.10 1a63 h GLU 108 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 1a63 h GLU 108 Cb 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 28.75 28.94 1a63 h GLU 108 CO 0.00 1.18 0.00 -2.13 -0.00 0.00 0.00 179.01 178.06 1a63 n ARG 109 N -3.50 0.00 -4.09 1.06 3.00 -1.26 -4.88 116.66 106.99 1a63 n ARG 109 Ca -0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.41 1a63 n ARG 109 Cb 1.05 -0.33 -0.06 0.00 0.00 0.00 0.00 32.46 33.11 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 3.11 0.96 -0.14 2.02 -1.26 -5.10 117.35 116.93 1a63 s TYR 110 Ca 0.00 0.00 -0.12 0.00 -0.37 0.00 0.00 57.07 56.58 1a63 s TYR 110 Cb 0.00 -1.54 0.17 0.00 -0.40 0.00 0.00 41.96 40.19 1a63 s TYR 110 CO 0.00 0.51 1.09 -0.06 -1.57 0.00 0.00 175.55 175.52 1a63 s PHE 111 N -1.56 2.09 0.18 2.71 0.40 -1.26 -4.76 117.98 115.78 1a63 s PHE 111 Ca 0.29 1.21 0.09 0.00 -0.60 0.00 0.00 56.93 57.93 1a63 s PHE 111 Cb -0.11 -3.19 -0.04 0.00 0.51 0.00 0.00 43.02 40.19 1a63 s PHE 111 CO 0.22 -2.75 -0.20 0.00 0.70 0.00 0.00 175.22 173.20 1a63 s ALA 112 N -2.86 2.18 0.68 5.36 0.00 -0.42 -0.96 121.76 125.75 1a63 s ALA 112 Ca 0.65 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 1a63 s ALA 112 Cb -0.19 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1a63 s ALA 112 CO 0.58 0.28 1.16 -1.17 0.00 0.00 0.00 175.76 176.61 1a63 s LEU 113 N -2.75 3.39 0.14 0.00 2.96 0.01 -1.22 118.68 121.22 1a63 s LEU 113 Ca 0.18 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.29 1a63 s LEU 113 Cb -0.06 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1a63 s LEU 113 CO 0.08 -1.90 0.00 -0.11 -1.32 0.00 0.00 176.35 173.10 1a63 n LEU 114 N -2.44 0.27 -4.49 -0.68 7.94 0.50 -4.56 117.00 113.54 1a63 n LEU 114 Ca 0.12 0.23 -0.30 0.00 -1.11 0.00 0.00 56.01 54.95 1a63 n LEU 114 Cb 0.51 0.06 -0.12 0.00 0.53 0.00 0.00 43.42 44.40 1a63 n LEU 114 CO 0.47 -0.69 -0.47 -0.75 -1.11 0.00 0.00 177.39 174.84 1a63 s LYS 115 N -1.68 2.03 -0.13 1.96 2.36 -0.96 -4.92 119.74 118.40 1a63 s LYS 115 Ca 0.00 -1.03 -0.16 0.00 -2.55 0.00 0.00 55.97 52.24 1a63 s LYS 115 Cb 0.00 -2.21 -0.05 0.00 -1.05 0.00 0.00 37.83 34.53 1a63 s LYS 115 CO 0.00 0.52 0.38 0.08 1.55 0.00 0.00 175.35 177.88 1a63 s VAL 116 N -1.03 5.24 -0.16 4.02 1.01 -1.26 -1.19 120.40 127.02 1a63 s VAL 116 Ca 0.17 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1a63 s VAL 116 Cb -0.11 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 1a63 s VAL 116 CO 0.08 0.38 -0.14 0.59 0.00 0.00 0.00 175.10 176.01 1a63 n ASN 117 N 3.46 2.69 -3.97 3.32 3.02 0.70 -4.05 115.26 120.44 1a63 n ASN 117 Ca -0.10 -0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.28 1a63 n ASN 117 Cb 0.52 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.33 0.70 -0.17 3.52 2.12 -0.76 -3.75 118.70 118.03 1a63 s GLU 118 Ca -0.22 -1.03 -0.23 0.00 0.36 0.00 0.00 54.97 53.85 1a63 s GLU 118 Cb 0.06 0.27 0.06 0.00 0.26 0.00 0.00 34.13 34.77 1a63 s GLU 118 CO 0.38 -0.18 0.59 0.08 -0.54 0.00 0.00 175.26 175.60 1a63 s VAL 119 N -3.66 0.01 0.42 3.70 1.01 -1.26 -2.21 120.40 118.41 1a63 s VAL 119 Ca 0.04 -0.04 0.38 0.00 0.00 0.00 0.00 61.98 62.36 1a63 s VAL 119 Cb 0.05 -0.86 0.56 0.00 0.00 0.00 0.00 36.38 36.14 1a63 s VAL 119 CO -0.09 -0.02 1.18 -3.20 0.00 0.00 0.00 175.10 172.96 1a63 n ASN 120 N 2.22 0.00 -2.73 3.32 4.05 0.63 -2.45 115.26 120.31 1a63 n ASN 120 Ca -0.16 0.75 -0.09 0.00 0.45 0.00 0.00 54.58 55.54 1a63 n ASN 120 Cb 0.56 -0.38 0.09 0.00 1.23 0.00 0.00 39.78 41.29 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1a63 n PHE 121 N -3.45 -2.78 -3.76 1.20 -0.00 -1.26 -5.00 117.46 102.40 1a63 n PHE 121 Ca 0.34 -2.08 -0.10 0.00 -0.00 0.00 0.00 57.45 55.62 1a63 n PHE 121 Cb 1.54 1.63 -0.04 0.00 -0.00 0.00 0.00 39.48 42.60 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 -1.24 -0.21 0.74 -2.13 1.11 -1.02 -5.16 116.67 108.76 1a63 s ASP 122 Ca 0.22 -0.53 -0.12 0.00 0.18 0.00 0.00 52.55 52.31 1a63 s ASP 122 Cb 0.30 0.55 0.04 0.00 1.07 0.00 0.00 42.92 44.87 1a63 s ASP 122 CO -0.06 -1.01 1.12 -0.54 1.18 0.00 0.00 175.17 175.86 1a63 s LYS 123 N -3.88 2.57 0.00 8.23 -0.14 -1.26 -4.11 119.74 121.15 1a63 s LYS 123 Ca 0.10 0.38 -0.00 0.00 -1.36 0.00 0.00 55.97 55.08 1a63 s LYS 123 Cb -0.00 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1a63 s LYS 123 CO -0.03 -1.22 1.81 -0.35 -0.76 0.00 0.00 175.35 174.80 1a63 n PRO 124 N -3.12 0.91 0.00 -1.68 -0.04 -1.25 -4.76 135.00 125.07 1a63 n PRO 124 Ca 0.07 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1a63 n PRO 124 Cb 0.58 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 1.64 0.00 0.00 0.54 4.07 -1.26 -4.68 120.64 120.95 1a63 n GLU 125 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1a63 n GLU 125 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 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 -1.17 4.31 5.03 -1.26 -5.02 115.26 117.15 1a63 n ASN 126 Ca 0.00 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.44 1a63 n ASN 126 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 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 2.93 -0.63 5.41 0.00 -1.26 -5.00 120.51 121.96 1a63 n ALA 127 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1a63 n ALA 127 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.23 0.00 -0.93 0.00 1.74 -1.26 -5.08 116.66 111.35 1a63 n ARG 128 Ca -0.09 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 1a63 n ARG 128 Cb 0.89 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.47 1a63 n ARG 128 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1a63 s ASN 129 N -1.07 3.48 0.00 0.55 -0.87 -1.26 -5.28 114.94 110.49 1a63 s ASN 129 Ca 0.00 1.99 0.00 0.00 -1.57 0.00 0.00 52.86 53.28 1a63 s ASN 129 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 1a63 s ASN 129 CO 0.00 -2.71 0.00 2.29 -2.57 0.00 0.00 177.10 174.11