#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 6.11 0.34 7.83 2.47 -1.23 0.52 114.94 130.98 1a63 s ASN 2 Ca 0.00 -0.66 0.13 0.00 0.42 0.00 0.00 52.86 52.76 1a63 s ASN 2 Cb 0.00 -2.56 1.09 0.00 -1.45 0.00 0.00 41.25 38.33 1a63 s ASN 2 CO 0.00 -1.85 1.60 0.25 -3.72 0.00 0.00 177.10 173.39 1a63 h LEU 3 N 13.56 0.16 -1.25 3.21 5.85 -1.35 1.70 115.31 137.19 1a63 h LEU 3 Ca -0.13 0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1a63 h LEU 3 Cb 1.05 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 1a63 h LEU 3 CO 1.31 -0.32 0.53 0.74 -0.34 0.00 0.00 178.44 180.36 1a63 h THR 4 N 0.10 1.06 -0.16 1.05 2.02 -1.89 0.04 112.91 115.13 1a63 h THR 4 Ca 0.74 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.52 1a63 h THR 4 Cb 1.78 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1a63 h THR 4 CO -0.75 0.17 -0.21 1.05 0.37 0.00 0.00 175.52 176.14 1a63 h GLU 5 N 0.92 0.44 -0.43 6.66 4.11 0.21 -0.74 114.58 125.75 1a63 h GLU 5 Ca 0.35 -0.25 0.09 0.00 0.07 0.00 0.00 59.36 59.61 1a63 h GLU 5 Cb 0.19 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1a63 h GLU 5 CO -0.12 0.83 -0.11 -0.07 0.07 0.00 0.00 179.01 179.61 1a63 h LEU 6 N 0.07 -0.41 -1.05 3.06 3.38 -0.09 0.57 115.31 120.84 1a63 h LEU 6 Ca 0.02 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1a63 h LEU 6 Cb 0.77 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1a63 h LEU 6 CO 0.05 -0.15 0.08 0.11 0.09 0.00 0.00 178.44 178.62 1a63 h LYS 7 N -0.00 0.76 0.00 1.13 1.79 -0.95 -2.37 116.57 116.93 1a63 h LYS 7 Ca 0.21 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1a63 h LYS 7 Cb 0.32 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1a63 h LYS 7 CO -0.45 0.72 -0.05 -0.91 -1.08 0.00 0.00 179.45 177.68 1a63 h ASN 8 N 0.73 0.00 -3.37 0.86 2.35 0.65 -3.42 115.58 113.37 1a63 h ASN 8 Ca 0.16 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.38 1a63 h ASN 8 Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1a63 h ASN 8 CO 0.00 0.05 0.53 -0.89 -1.65 0.00 0.00 177.43 175.47 1a63 s THR 9 N -4.49 3.91 0.61 2.81 2.01 -0.67 -5.01 115.64 114.83 1a63 s THR 9 Ca -0.04 1.50 -0.18 0.00 0.31 0.00 0.00 61.69 63.28 1a63 s THR 9 Cb 0.14 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1a63 s THR 9 CO 0.57 0.19 1.20 -2.16 -0.69 0.00 0.00 174.62 173.73 1a63 s PRO 10 N 0.35 2.86 0.25 4.92 0.04 -1.26 -4.68 135.00 137.48 1a63 s PRO 10 Ca 0.54 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 63.27 1a63 s PRO 10 Cb -0.30 -1.92 0.37 0.00 0.04 0.00 0.00 34.50 32.70 1a63 s PRO 10 CO 0.32 -1.29 1.58 -0.24 0.04 0.00 0.00 177.00 177.42 1a63 h VAL 11 N 0.69 0.12 -0.84 -0.36 3.04 -1.94 0.31 116.25 117.25 1a63 h VAL 11 Ca -0.50 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.24 1a63 h VAL 11 Cb 1.29 0.12 -0.06 0.00 -2.01 0.00 0.00 31.29 30.64 1a63 h VAL 11 CO 0.54 0.00 0.53 0.28 -1.01 0.00 0.00 177.57 177.91 1a63 h SER 12 N -0.00 0.85 0.57 3.17 0.02 -1.97 0.90 113.55 117.08 1a63 h SER 12 Ca 0.41 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.30 1a63 h SER 12 Cb 0.64 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1a63 h SER 12 CO -0.90 0.56 -0.36 -0.33 -1.14 0.00 0.00 176.83 174.66 1a63 h GLU 13 N 0.99 0.00 -0.29 3.45 3.07 -0.82 -0.83 114.58 120.15 1a63 h GLU 13 Ca 0.36 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.11 1a63 h GLU 13 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1a63 h GLU 13 CO -0.15 0.36 -0.23 -0.07 -1.40 0.00 0.00 179.01 177.51 1a63 h LEU 14 N 0.00 0.70 -0.62 1.33 4.07 0.10 -0.35 115.31 120.55 1a63 h LEU 14 Ca -0.00 -0.45 -0.08 0.00 0.08 0.00 0.00 57.88 57.42 1a63 h LEU 14 Cb 0.74 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1a63 h LEU 14 CO 0.05 1.01 0.06 0.40 -1.08 0.00 0.00 178.44 178.87 1a63 h ILE 15 N 0.41 1.26 -0.65 1.22 5.03 -0.52 -0.30 117.51 123.95 1a63 h ILE 15 Ca 0.05 -1.07 -0.03 0.00 -0.12 0.00 0.00 64.86 63.69 1a63 h ILE 15 Cb 0.78 0.75 -0.03 0.00 -3.03 0.00 0.00 36.82 35.29 1a63 h ILE 15 CO 0.06 0.39 0.27 0.74 -0.68 0.00 0.00 178.15 178.94 1a63 h THR 16 N 0.95 1.22 -0.45 -0.27 2.02 -1.03 0.08 112.91 115.44 1a63 h THR 16 Ca 0.18 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 1a63 h THR 16 Cb 0.48 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1a63 h THR 16 CO 0.02 0.28 -0.04 -0.07 0.37 0.00 0.00 175.52 176.08 1a63 h LEU 17 N 0.94 0.73 -0.30 2.58 4.07 -0.53 -0.89 115.31 121.92 1a63 h LEU 17 Ca 0.22 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1a63 h LEU 17 Cb 0.16 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1a63 h LEU 17 CO -0.02 0.83 -0.07 1.23 -1.08 0.00 0.00 178.44 179.33 1a63 h GLY 18 N 0.97 0.62 1.04 0.83 0.00 -0.17 -2.33 103.07 104.03 1a63 h GLY 18 Ca 0.13 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1a63 h GLY 18 CO 0.03 0.47 0.58 1.05 0.00 0.00 0.00 176.54 178.66 1a63 h GLU 19 N 0.34 1.10 0.00 4.80 -0.00 0.11 1.16 114.58 122.08 1a63 h GLU 19 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1a63 h GLU 19 Cb 0.55 -0.25 -0.00 0.00 -0.00 0.00 0.00 28.75 29.05 1a63 h GLU 19 CO 0.03 0.73 -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 -0.80 -1.61 115.58 120.93 1a63 h ASN 20 Ca 0.34 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.85 1a63 h ASN 20 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1a63 h ASN 20 CO -0.10 0.07 0.00 0.23 -1.29 0.00 0.00 177.43 176.34 1a63 n MET 21 N -4.25 3.32 0.00 0.81 2.81 0.58 -4.93 117.12 115.46 1a63 n MET 21 Ca -0.03 -2.75 0.00 0.00 -1.81 0.00 0.00 57.70 53.12 1a63 n MET 21 Cb 0.15 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 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 1.17 3.39 3.56 3.03 0.00 0.21 -4.98 105.19 111.57 1a63 n GLY 22 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1a63 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a63 s LEU 23 N 0.00 3.39 0.57 0.99 1.02 0.37 -4.81 118.68 120.20 1a63 s LEU 23 Ca 0.00 -1.11 0.07 0.00 0.02 0.00 0.00 54.13 53.11 1a63 s LEU 23 Cb 0.00 -2.57 0.06 0.00 0.02 0.00 0.00 46.19 43.71 1a63 s LEU 23 CO 0.00 -1.69 0.54 -1.83 0.02 0.00 0.00 176.35 173.39 1a63 s GLU 24 N 5.34 2.24 -0.65 1.70 -1.05 -1.26 -0.65 118.70 124.37 1a63 s GLU 24 Ca 0.45 -1.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.32 1a63 s GLU 24 Cb -0.03 -2.25 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 1a63 s GLU 24 CO -0.02 -0.75 0.00 0.09 0.95 0.00 0.00 175.26 175.52 1a63 n ASN 25 N -1.95 -5.00 0.00 0.83 5.03 -1.26 -4.85 115.26 108.05 1a63 n ASN 25 Ca 0.04 0.15 0.12 0.00 0.87 0.00 0.00 54.58 55.76 1a63 n ASN 25 Cb 0.64 -3.04 0.60 0.00 -1.02 0.00 0.00 39.78 36.96 1a63 n ASN 25 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1a63 n LEU 26 N -0.70 0.00 -0.37 3.41 4.32 -1.26 -3.75 117.00 118.66 1a63 n LEU 26 Ca -0.06 0.38 0.30 0.00 -0.02 0.00 0.00 56.01 56.60 1a63 n LEU 26 Cb 0.41 -0.38 0.60 0.00 -1.62 0.00 0.00 43.42 42.43 1a63 n LEU 26 CO 0.09 -0.05 1.25 0.00 -1.22 0.00 0.00 177.39 177.46 1a63 h ALA 27 N 3.07 2.57 -0.02 -1.18 0.00 -1.95 2.25 119.26 124.00 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 0.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a63 h ALA 27 CO 0.00 -1.03 0.00 0.54 0.00 0.00 0.00 179.25 178.76 1a63 n ARG 28 N -4.55 1.18 -3.99 0.00 5.12 -1.25 -4.87 116.66 108.30 1a63 n ARG 28 Ca 0.29 -0.27 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 1a63 n ARG 28 Cb 1.13 -1.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.96 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 -1.98 3.35 0.69 5.56 -1.94 0.76 -5.12 119.30 120.62 1a63 s MET 29 Ca 0.40 -0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1a63 s MET 29 Cb 0.19 -2.84 0.09 0.00 2.01 0.00 0.00 34.83 34.28 1a63 s MET 29 CO 0.32 0.43 0.97 0.50 -0.01 0.00 0.00 175.02 177.23 1a63 s ARG 30 N -3.88 1.94 0.22 2.03 3.52 -1.26 -4.87 118.95 116.65 1a63 s ARG 30 Ca 0.34 -0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 55.09 1a63 s ARG 30 Cb -0.09 -2.30 0.19 0.00 -1.56 0.00 0.00 34.95 31.19 1a63 s ARG 30 CO 0.28 -1.28 1.82 0.87 -0.81 0.00 0.00 175.30 176.19 1a63 h LYS 31 N -0.47 1.22 0.37 5.12 1.57 -1.97 -0.64 116.57 121.76 1a63 h LYS 31 Ca -0.40 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.19 1a63 h LYS 31 Cb 1.28 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1a63 h LYS 31 CO 0.48 0.93 -0.18 1.96 -0.57 0.00 0.00 179.45 182.07 1a63 h GLN 32 N 1.21 -0.48 -0.54 3.15 1.08 -1.99 -0.59 115.11 116.97 1a63 h GLN 32 Ca 0.30 0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.45 1a63 h GLN 32 Cb 0.10 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1a63 h GLN 32 CO -0.04 -0.19 0.04 0.38 -0.95 0.00 0.00 178.83 178.07 1a63 h ASP 33 N -0.74 0.90 -0.87 1.46 3.04 -1.95 -0.67 116.42 117.59 1a63 h ASP 33 Ca -0.05 -0.29 -0.03 0.00 -3.24 0.00 0.00 57.03 53.42 1a63 h ASP 33 Cb 0.51 -0.24 -0.04 0.00 -1.04 0.00 0.00 39.33 38.52 1a63 h ASP 33 CO 0.08 0.96 0.43 0.40 -2.04 0.00 0.00 179.24 179.07 1a63 h ILE 34 N 0.80 1.26 -0.23 4.15 2.04 -1.12 -0.88 117.51 123.53 1a63 h ILE 34 Ca 0.16 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 1a63 h ILE 34 Cb 0.48 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1a63 h ILE 34 CO 0.02 0.31 -0.27 -0.29 0.00 0.00 0.00 178.15 177.92 1a63 h ILE 35 N 1.23 1.27 -0.36 -0.67 2.10 -0.74 -0.86 117.51 119.47 1a63 h ILE 35 Ca 0.30 -1.29 -0.06 0.00 1.08 0.00 0.00 64.86 64.89 1a63 h ILE 35 Cb 0.10 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 1a63 h ILE 35 CO -0.04 0.41 0.01 -0.26 -1.08 0.00 0.00 178.15 177.19 1a63 h PHE 36 N 0.40 0.69 0.29 2.19 0.04 -0.46 -0.84 116.94 119.24 1a63 h PHE 36 Ca 0.06 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1a63 h PHE 36 Cb 0.69 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1a63 h PHE 36 CO 0.02 0.73 -0.14 0.00 -0.60 0.00 0.00 178.31 178.32 1a63 h ALA 37 N 0.87 -0.39 -0.64 2.45 0.00 -0.98 0.50 119.26 121.08 1a63 h ALA 37 Ca 0.10 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1a63 h ALA 37 Cb 0.44 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1a63 h ALA 37 CO 0.02 -0.56 0.11 0.97 0.00 0.00 0.00 179.25 179.79 1a63 h ILE 38 N -0.71 0.57 -1.01 0.00 6.09 -1.17 0.30 117.51 121.58 1a63 h ILE 38 Ca -0.04 -0.08 0.04 0.00 -1.37 0.00 0.00 64.86 63.41 1a63 h ILE 38 Cb 0.48 0.32 -0.06 0.00 0.47 0.00 0.00 36.82 38.04 1a63 h ILE 38 CO 0.06 0.04 0.66 -0.07 -3.07 0.00 0.00 178.15 175.78 1a63 h LEU 39 N 0.23 1.10 -1.16 2.19 3.38 -0.98 0.70 115.31 120.77 1a63 h LEU 39 Ca 0.34 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1a63 h LEU 39 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1a63 h LEU 39 CO -0.46 0.75 0.11 0.11 0.09 0.00 0.00 178.44 179.03 1a63 h LYS 40 N 1.27 0.70 0.03 1.13 1.57 0.18 -0.13 116.57 121.32 1a63 h LYS 40 Ca 0.40 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a63 h LYS 40 Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1a63 h LYS 40 CO -0.13 0.64 -0.01 1.96 -0.57 0.00 0.00 179.45 181.34 1a63 h GLN 41 N 0.68 -0.03 -0.38 3.15 1.08 0.34 -2.25 115.11 117.69 1a63 h GLN 41 Ca 0.15 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1a63 h GLN 41 Cb 0.26 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1a63 h GLN 41 CO -0.00 0.67 0.13 1.25 -0.95 0.00 0.00 178.83 179.92 1a63 h HIS 42 N -0.92 0.54 -0.47 2.96 2.76 -0.92 -1.64 115.15 117.46 1a63 h HIS 42 Ca -0.00 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1a63 h HIS 42 Cb 0.71 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 1a63 h HIS 42 CO 0.19 0.45 0.14 0.00 -1.30 0.00 0.00 177.93 177.40 1a63 h ALA 43 N 1.60 0.62 -0.81 5.26 0.00 -1.09 -2.24 119.26 122.59 1a63 h ALA 43 Ca 0.13 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1a63 h ALA 43 Cb 0.15 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 1a63 h ALA 43 CO -0.01 0.28 0.24 -0.22 0.00 0.00 0.00 179.25 179.54 1a63 h LYS 44 N 0.63 0.28 0.00 0.00 1.63 -0.66 2.49 116.57 120.93 1a63 h LYS 44 Ca 0.15 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1a63 h LYS 44 Cb 0.28 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1a63 h LYS 44 CO -0.00 0.19 0.00 0.43 -3.45 0.00 0.00 179.45 176.61 1a63 n SER 45 N -5.15 0.00 -0.78 4.20 7.64 -0.86 -4.84 113.62 113.83 1a63 n SER 45 Ca 0.18 0.35 -0.07 0.00 1.01 0.00 0.00 58.87 60.33 1a63 n SER 45 Cb 0.56 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.45 0.11 3.88 0.23 0.00 0.84 -5.03 105.19 104.77 1a63 n GLY 46 Ca 0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.28 2.38 0.19 1.61 8.01 -1.16 -5.03 118.70 120.43 1a63 s GLU 47 Ca 0.00 0.33 -0.21 0.00 0.01 0.00 0.00 54.97 55.11 1a63 s GLU 47 Cb 0.00 -1.98 -0.08 0.00 -4.31 0.00 0.00 34.13 27.76 1a63 s GLU 47 CO 0.00 -1.34 0.71 -0.51 0.01 0.00 0.00 175.26 174.13 1a63 s ASP 48 N -4.40 7.12 -0.04 -0.19 1.01 -1.26 -4.82 116.67 114.09 1a63 s ASP 48 Ca 0.60 1.43 -0.14 0.00 0.71 0.00 0.00 52.55 55.16 1a63 s ASP 48 Cb -0.11 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1a63 s ASP 48 CO 0.51 0.10 0.30 0.27 0.21 0.00 0.00 175.17 176.56 1a63 s ILE 49 N -1.40 0.05 0.13 0.77 -4.36 -1.26 -4.60 121.20 110.53 1a63 s ILE 49 Ca 0.40 -0.39 -0.02 0.00 -0.26 0.00 0.00 60.65 60.38 1a63 s ILE 49 Cb -0.18 -0.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 1a63 s ILE 49 CO 0.22 -0.21 0.08 0.72 0.24 0.00 0.00 174.94 175.99 1a63 s PHE 50 N -1.02 0.75 0.41 1.37 -0.71 0.18 -3.15 117.98 115.82 1a63 s PHE 50 Ca -0.11 -1.14 0.07 0.00 -1.04 0.00 0.00 56.93 54.71 1a63 s PHE 50 Cb -0.05 -0.40 -0.08 0.00 -1.21 0.00 0.00 43.02 41.28 1a63 s PHE 50 CO 0.03 -0.54 0.02 0.20 -1.34 0.00 0.00 175.22 173.60 1a63 s GLY 51 N -3.02 2.47 -0.04 1.99 0.00 -0.17 -0.84 107.32 107.72 1a63 s GLY 51 Ca 0.21 -2.28 -0.31 0.00 0.00 0.00 0.00 44.72 42.35 1a63 s GLY 51 CO 0.00 -2.07 1.06 0.51 0.00 0.00 0.00 173.10 172.60 1a63 s ASP 52 N -3.73 -0.21 0.00 1.64 1.47 -1.26 -1.58 116.67 112.99 1a63 s ASP 52 Ca 0.36 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 54.00 1a63 s ASP 52 Cb 0.09 0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.96 1a63 s ASP 52 CO 0.18 -0.49 0.00 0.61 0.68 0.00 0.00 175.17 176.15 1a63 n GLY 53 N -0.27 0.02 2.94 2.12 0.00 -0.41 -4.64 105.19 104.94 1a63 n GLY 53 Ca -0.05 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.00 1.11 0.93 1.61 1.01 -0.17 -1.19 120.40 119.70 1a63 s VAL 54 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1a63 s VAL 54 Cb 0.00 -1.10 0.15 0.00 0.00 0.00 0.00 36.38 35.44 1a63 s VAL 54 CO 0.00 0.38 1.12 -0.76 0.00 0.00 0.00 175.10 175.83 1a63 s LEU 55 N 1.54 2.53 -0.07 3.92 1.43 0.03 -2.51 118.68 125.55 1a63 s LEU 55 Ca 0.02 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.09 1a63 s LEU 55 Cb -0.13 -4.35 0.04 0.00 0.03 0.00 0.00 46.19 41.78 1a63 s LEU 55 CO -0.07 -3.08 0.05 -0.70 0.23 0.00 0.00 176.35 172.79 1a63 s GLU 56 N -4.68 0.09 0.59 1.70 2.12 0.80 0.51 118.70 119.83 1a63 s GLU 56 Ca 0.66 0.22 -0.09 0.00 0.36 0.00 0.00 54.97 56.12 1a63 s GLU 56 Cb -0.22 -0.88 -0.03 0.00 0.26 0.00 0.00 34.13 33.26 1a63 s GLU 56 CO 0.59 -0.40 0.96 0.42 -0.54 0.00 0.00 175.26 176.29 1a63 s ILE 57 N 2.12 4.50 -0.03 -3.70 -1.09 -1.26 -1.09 121.20 120.64 1a63 s ILE 57 Ca 0.04 0.56 0.03 0.00 -2.23 0.00 0.00 60.65 59.05 1a63 s ILE 57 Cb -0.13 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1a63 s ILE 57 CO -0.05 -0.93 -0.11 -0.76 -1.23 0.00 0.00 174.94 171.86 1a63 s LEU 58 N -5.07 1.79 0.41 2.97 1.02 0.72 -4.89 118.68 115.63 1a63 s LEU 58 Ca 0.53 -0.24 0.30 0.00 0.02 0.00 0.00 54.13 54.74 1a63 s LEU 58 Cb -0.11 -0.68 1.39 0.00 0.02 0.00 0.00 46.19 46.81 1a63 s LEU 58 CO 0.50 0.08 1.47 1.67 0.02 0.00 0.00 176.35 180.09 1a63 n GLN 59 N 3.33 -0.03 0.00 1.70 -0.06 -1.26 0.19 117.38 121.24 1a63 n GLN 59 Ca -0.19 1.18 0.01 0.00 -2.00 0.00 0.00 57.00 56.00 1a63 n GLN 59 Cb 0.54 -2.32 0.03 0.00 -4.06 0.00 0.00 30.24 24.43 1a63 n GLN 59 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1a63 n ASP 60 N -4.61 0.00 0.00 1.69 8.00 -1.26 -4.80 116.55 115.57 1a63 n ASP 60 Ca 0.38 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1a63 n ASP 60 Cb 1.46 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 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 -1.22 0.78 3.46 0.44 0.00 0.50 -5.06 105.19 104.08 1a63 n GLY 61 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.34 0.41 -3.89 1.61 1.16 -1.23 -3.70 117.46 109.48 1a63 n PHE 62 Ca 0.00 -2.62 -0.08 0.00 -1.87 0.00 0.00 57.45 52.88 1a63 n PHE 62 Cb 0.00 -0.09 -0.02 0.00 -1.61 0.00 0.00 39.48 37.76 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 -3.61 0.20 0.12 4.97 0.00 0.09 -0.20 107.32 108.90 1a63 s GLY 63 Ca 0.16 -0.57 0.06 0.00 0.00 0.00 0.00 44.72 44.37 1a63 s GLY 63 CO 0.11 -0.28 -0.15 -1.36 0.00 0.00 0.00 173.10 171.42 1a63 s PHE 64 N -3.55 1.44 -0.25 1.90 0.08 -0.25 -0.08 117.98 117.29 1a63 s PHE 64 Ca 0.15 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.57 1a63 s PHE 64 Cb -0.05 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.60 1a63 s PHE 64 CO 0.09 0.16 0.16 -1.17 -0.10 0.00 0.00 175.22 174.36 1a63 s LEU 65 N -2.35 4.07 0.00 -0.37 0.20 -0.32 -0.14 118.68 119.77 1a63 s LEU 65 Ca 0.08 0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.98 1a63 s LEU 65 Cb -0.06 -2.10 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 1a63 s LEU 65 CO 0.03 0.04 0.00 -2.11 -0.29 0.00 0.00 176.35 174.03 1a63 n ARG 66 N 4.44 1.14 0.00 1.98 1.85 -1.05 -1.61 116.66 123.41 1a63 n ARG 66 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1a63 n ARG 66 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 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 -1.79 0.00 0.00 2.89 7.64 -1.26 -1.00 113.62 120.10 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 1.14 -1.00 -0.43 0.00 -1.26 -4.07 120.51 111.89 1a63 n ALA 68 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1a63 n ALA 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a63 n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a63 n ASP 69 N -0.36 0.00 0.00 0.00 2.03 -1.26 -5.03 116.55 111.92 1a63 n ASP 69 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a63 n ASP 69 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1a63 n SER 70 N 0.00 1.89 -3.18 1.67 7.64 -1.26 -5.06 113.62 115.31 1a63 n SER 70 Ca 0.00 -0.22 -0.06 0.00 1.01 0.00 0.00 58.87 59.60 1a63 n SER 70 Cb 0.00 0.81 0.02 0.00 -1.01 0.00 0.00 64.21 64.03 1a63 n SER 70 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a63 s SER 71 N -1.19 -0.01 0.00 6.43 0.01 -1.26 -4.95 113.70 112.72 1a63 s SER 71 Ca 0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1a63 s SER 71 Cb 0.00 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1a63 s SER 71 CO 0.00 -1.35 0.00 -1.22 0.41 0.00 0.00 173.24 171.08 1a63 n TYR 72 N -0.60 0.00 -0.33 2.43 4.01 -1.26 -4.87 117.16 116.54 1a63 n TYR 72 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1a63 n TYR 72 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 -5.03 117.00 122.75 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 -0.04 0.00 0.00 -1.22 0.00 0.00 177.39 176.13 1a63 n ALA 74 N -3.00 0.00 -3.00 -1.18 0.00 -1.26 -5.06 120.51 107.01 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 4.00 0.23 0.00 0.00 -1.26 -4.94 105.19 103.23 1a63 n GLY 75 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 0.59 -0.94 1.61 0.13 -1.98 -3.07 132.00 128.34 1a63 h PRO 76 Ca 0.00 -0.28 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1a63 h PRO 76 Cb 0.00 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.08 1a63 h PRO 76 CO 0.00 0.87 0.09 -0.25 -0.23 0.00 0.00 178.00 178.48 1a63 n ASP 77 N -4.05 2.76 0.00 1.44 9.92 -1.26 -4.63 116.55 120.74 1a63 n ASP 77 Ca -0.01 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.90 1a63 n ASP 77 Cb 0.50 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.11 0.00 -4.72 -2.24 8.00 -1.16 -4.71 116.55 111.83 1a63 n ASP 78 Ca 0.12 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 1a63 n ASP 78 Cb 0.67 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 1a63 n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a63 s ILE 79 N 0.00 4.35 0.36 0.53 -1.09 -0.63 -4.67 121.20 120.05 1a63 s ILE 79 Ca 0.00 1.72 -0.25 0.00 -2.23 0.00 0.00 60.65 59.89 1a63 s ILE 79 Cb 0.00 -4.10 -0.09 0.00 -1.58 0.00 0.00 42.46 36.68 1a63 s ILE 79 CO 0.00 0.16 1.01 -0.47 -1.23 0.00 0.00 174.94 174.41 1a63 s TYR 80 N 0.86 3.45 -0.13 3.97 5.04 -0.16 -1.18 117.35 129.20 1a63 s TYR 80 Ca 0.55 1.70 -0.04 0.00 -2.44 0.00 0.00 57.07 56.84 1a63 s TYR 80 Cb -0.26 -3.05 0.06 0.00 0.35 0.00 0.00 41.96 39.06 1a63 s TYR 80 CO 0.29 -0.28 0.14 0.08 -1.34 0.00 0.00 175.55 174.44 1a63 s VAL 81 N -1.64 -0.21 0.78 3.14 1.01 0.89 -0.76 120.40 123.61 1a63 s VAL 81 Ca 0.54 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1a63 s VAL 81 Cb -0.21 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.78 1a63 s VAL 81 CO 0.26 -0.06 1.09 -0.44 0.00 0.00 0.00 175.10 175.95 1a63 s SER 82 N 2.24 4.65 0.05 3.32 0.01 -1.26 -0.73 113.70 121.98 1a63 s SER 82 Ca 0.04 1.39 -0.23 0.00 1.31 0.00 0.00 55.95 58.46 1a63 s SER 82 Cb -0.14 -2.15 -0.15 0.00 0.21 0.00 0.00 66.02 63.79 1a63 s SER 82 CO -0.08 -1.88 1.51 1.55 0.41 0.00 0.00 173.24 174.75 1a63 h PRO 83 N -1.02 0.13 -0.97 12.44 0.13 -1.92 -1.42 132.00 139.36 1a63 h PRO 83 Ca -0.46 -0.04 0.27 0.00 -0.87 0.00 0.00 66.00 64.90 1a63 h PRO 83 Cb 1.26 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1a63 h PRO 83 CO 0.58 0.36 0.50 0.66 -0.23 0.00 0.00 178.00 179.87 1a63 h SER 84 N -0.11 0.46 0.73 1.44 4.64 -1.93 2.22 113.55 121.00 1a63 h SER 84 Ca 0.02 0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1a63 h SER 84 Cb 0.29 0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1a63 h SER 84 CO 0.00 -0.04 -0.35 1.56 -0.87 0.00 0.00 176.83 177.13 1a63 h GLN 85 N 0.40 -0.95 0.18 4.77 1.08 -1.74 2.01 115.11 120.86 1a63 h GLN 85 Ca 0.65 0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.93 1a63 h GLN 85 Cb 1.35 0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.96 1a63 h GLN 85 CO -0.56 -0.61 -0.30 0.82 -0.95 0.00 0.00 178.83 177.23 1a63 h ILE 86 N -1.09 0.36 -0.81 2.54 2.04 0.56 -2.11 117.51 119.00 1a63 h ILE 86 Ca -0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1a63 h ILE 86 Cb 0.78 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1a63 h ILE 86 CO 0.17 0.00 0.50 0.03 0.00 0.00 0.00 178.15 178.85 1a63 h ARG 87 N -0.55 0.93 -0.64 2.37 3.08 0.35 0.47 114.38 120.39 1a63 h ARG 87 Ca 0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1a63 h ARG 87 Cb 0.56 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1a63 h ARG 87 CO -0.14 0.61 0.40 0.00 -1.07 0.00 0.00 179.97 179.78 1a63 h ARG 88 N 0.96 0.86 -0.27 0.04 2.47 0.38 -2.96 114.38 115.85 1a63 h ARG 88 Ca 0.34 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1a63 h ARG 88 Cb 0.08 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1a63 h ARG 88 CO -0.14 0.59 0.00 1.19 0.56 0.00 0.00 179.97 182.17 1a63 n PHE 89 N -4.42 0.53 -3.25 3.04 3.72 -0.85 -4.99 117.46 111.25 1a63 n PHE 89 Ca 0.06 -0.62 -0.15 0.00 -0.05 0.00 0.00 57.45 56.69 1a63 n PHE 89 Cb 0.06 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.05 -3.54 -2.85 4.37 4.05 0.05 -5.01 115.26 112.39 1a63 n ASN 90 Ca 0.13 -0.60 -0.09 0.00 0.45 0.00 0.00 54.58 54.47 1a63 n ASN 90 Cb 0.55 -4.82 0.05 0.00 1.23 0.00 0.00 39.78 36.78 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 -3.62 0.00 -3.43 1.20 4.77 -0.57 -5.03 117.00 110.31 1a63 n LEU 91 Ca -0.20 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 54.97 1a63 n LEU 91 Cb 0.64 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1a63 n LEU 91 CO 0.56 -0.71 0.41 -0.13 -1.33 0.00 0.00 177.39 176.19 1a63 s ARG 92 N -3.50 1.29 0.75 3.23 0.52 -1.26 -4.92 118.95 115.06 1a63 s ARG 92 Ca 0.24 -0.48 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 1a63 s ARG 92 Cb -0.01 0.59 0.05 0.00 0.52 0.00 0.00 34.95 36.10 1a63 s ARG 92 CO 0.16 -0.56 1.17 -0.08 0.02 0.00 0.00 175.30 176.00 1a63 s THR 93 N -3.75 2.54 0.00 0.02 -1.32 -1.26 -1.57 115.64 110.31 1a63 s THR 93 Ca 0.01 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 1a63 s THR 93 Cb -0.01 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 1a63 s THR 93 CO -0.12 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1a63 n GLY 94 N 0.03 2.64 3.77 6.08 0.00 0.18 -4.91 105.19 112.97 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 -3.33 5.73 -0.19 1.61 1.11 -0.61 -4.66 116.67 116.32 1a63 s ASP 95 Ca 0.00 2.30 -0.16 0.00 0.18 0.00 0.00 52.55 54.87 1a63 s ASP 95 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1a63 s ASP 95 CO 0.00 -1.22 0.41 -0.89 1.18 0.00 0.00 175.17 174.65 1a63 s THR 96 N -1.63 5.19 0.15 -1.27 2.01 -1.26 -0.79 115.64 118.04 1a63 s THR 96 Ca 0.71 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 63.38 1a63 s THR 96 Cb -0.28 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1a63 s THR 96 CO 0.32 0.25 0.22 -0.63 -0.69 0.00 0.00 174.62 174.10 1a63 s ILE 97 N 1.28 0.08 -0.13 1.82 1.01 -0.33 -0.47 121.20 124.46 1a63 s ILE 97 Ca 0.20 -1.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.24 1a63 s ILE 97 Cb -0.15 -1.85 0.04 0.00 0.01 0.00 0.00 42.46 40.51 1a63 s ILE 97 CO 0.08 -0.36 0.35 -0.94 0.00 0.00 0.00 174.94 174.07 1a63 s SER 98 N -2.98 -0.37 0.10 3.58 1.04 -0.92 -1.29 113.70 112.86 1a63 s SER 98 Ca 0.18 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.20 1a63 s SER 98 Cb 0.04 0.71 0.04 0.00 0.10 0.00 0.00 66.02 66.91 1a63 s SER 98 CO -0.00 -0.13 0.56 0.61 0.98 0.00 0.00 173.24 175.26 1a63 n GLY 99 N 2.99 0.93 3.87 7.32 0.00 -0.62 -0.47 105.19 119.21 1a63 n GLY 99 Ca -0.14 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1a63 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a63 s LYS 100 N -2.03 3.87 0.27 1.61 1.02 -0.29 -0.99 119.74 123.20 1a63 s LYS 100 Ca 0.12 0.44 0.11 0.00 0.02 0.00 0.00 55.97 56.67 1a63 s LYS 100 Cb -0.02 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 1a63 s LYS 100 CO 0.03 0.19 -0.18 0.96 -0.92 0.00 0.00 175.35 175.44 1a63 s ILE 101 N -1.98 2.28 -0.08 2.17 -4.36 -1.19 -0.52 121.20 117.53 1a63 s ILE 101 Ca 0.50 -2.34 -0.04 0.00 -0.26 0.00 0.00 60.65 58.51 1a63 s ILE 101 Cb -0.11 -2.28 0.03 0.00 1.25 0.00 0.00 42.46 41.36 1a63 s ILE 101 CO 0.22 -0.42 0.18 -0.60 0.24 0.00 0.00 174.94 174.56 1a63 s ARG 102 N -3.55 0.15 -0.18 0.37 6.06 -0.37 -4.78 118.95 116.65 1a63 s ARG 102 Ca 0.29 0.37 -0.29 0.00 -2.50 0.00 0.00 55.73 53.60 1a63 s ARG 102 Cb -0.03 -0.08 -0.01 0.00 0.06 0.00 0.00 34.95 34.88 1a63 s ARG 102 CO 0.13 -0.12 1.27 -1.25 -2.50 0.00 0.00 175.30 172.83 1a63 s PRO 103 N 0.88 4.20 0.00 5.12 0.04 -1.26 -1.33 135.00 142.64 1a63 s PRO 103 Ca -0.06 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1a63 s PRO 103 Cb -0.08 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1a63 s PRO 103 CO -0.05 -0.75 0.00 -0.35 0.04 0.00 0.00 177.00 175.89 1a63 n PRO 104 N 6.69 2.15 -3.57 0.56 -0.04 -1.26 -4.94 135.00 134.59 1a63 n PRO 104 Ca 0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.36 1a63 n PRO 104 Cb 0.45 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 2.24 1.09 0.54 1.02 -1.26 -5.02 119.74 118.35 1a63 s LYS 105 Ca 0.00 -1.92 -0.15 0.00 0.02 0.00 0.00 55.97 53.92 1a63 s LYS 105 Cb 0.00 -2.30 0.20 0.00 -0.52 0.00 0.00 37.83 35.22 1a63 s LYS 105 CO 0.00 -0.77 0.41 0.39 -0.92 0.00 0.00 175.35 174.46 1a63 n GLU 106 N -1.99 -2.66 0.00 1.68 -0.58 -1.26 -2.42 120.64 113.41 1a63 n GLU 106 Ca 0.05 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 56.01 1a63 n GLU 106 Cb 0.63 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 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 2.32 1.20 0.07 0.62 0.00 -1.26 -4.59 105.19 103.55 1a63 n GLY 107 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1a63 n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a63 h GLU 108 N 0.00 0.00 0.00 1.61 5.08 -1.88 -3.46 114.58 115.93 1a63 h GLU 108 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a63 h GLU 108 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a63 h GLU 108 CO 0.00 0.76 0.00 0.54 -1.00 0.00 0.00 179.01 179.31 1a63 n ARG 109 N -3.21 0.00 -4.09 2.33 5.12 -1.26 -4.85 116.66 110.70 1a63 n ARG 109 Ca -0.07 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.56 1a63 n ARG 109 Cb 0.98 -0.89 -0.07 0.00 -1.16 0.00 0.00 32.46 31.32 1a63 n ARG 109 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1a63 s TYR 110 N 0.00 3.10 1.00 -1.55 2.02 -1.26 -5.10 117.35 115.55 1a63 s TYR 110 Ca 0.00 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 1a63 s TYR 110 Cb 0.00 -1.55 0.19 0.00 -0.40 0.00 0.00 41.96 40.20 1a63 s TYR 110 CO 0.00 0.51 1.08 -0.06 -1.57 0.00 0.00 175.55 175.51 1a63 s PHE 111 N -1.48 2.02 0.19 2.71 0.40 -1.26 -4.57 117.98 115.99 1a63 s PHE 111 Ca 0.29 1.10 0.10 0.00 -0.60 0.00 0.00 56.93 57.81 1a63 s PHE 111 Cb -0.11 -3.22 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 1a63 s PHE 111 CO 0.21 -2.93 -0.20 0.00 0.70 0.00 0.00 175.22 173.00 1a63 s ALA 112 N -2.87 2.28 0.69 5.36 0.00 -0.44 -0.99 121.76 125.78 1a63 s ALA 112 Ca 0.65 -1.60 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 1a63 s ALA 112 Cb -0.19 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1a63 s ALA 112 CO 0.58 0.30 1.18 -1.17 0.00 0.00 0.00 175.76 176.65 1a63 s LEU 113 N -2.80 3.39 0.12 0.00 2.96 0.06 -1.23 118.68 121.18 1a63 s LEU 113 Ca 0.20 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1a63 s LEU 113 Cb -0.06 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.05 1a63 s LEU 113 CO 0.09 -1.98 0.00 -0.11 -1.32 0.00 0.00 176.35 173.03 1a63 n LEU 114 N -2.45 0.33 -4.22 -0.68 7.94 0.32 -4.55 117.00 113.70 1a63 n LEU 114 Ca 0.13 0.20 -0.25 0.00 -1.11 0.00 0.00 56.01 54.97 1a63 n LEU 114 Cb 0.51 0.01 -0.15 0.00 0.53 0.00 0.00 43.42 44.32 1a63 n LEU 114 CO 0.47 -0.58 -0.51 -0.75 -1.11 0.00 0.00 177.39 174.91 1a63 s LYS 115 N -2.00 1.43 -0.12 1.96 2.47 -0.95 -4.93 119.74 117.60 1a63 s LYS 115 Ca 0.00 -0.81 -0.17 0.00 -1.56 0.00 0.00 55.97 53.43 1a63 s LYS 115 Cb 0.00 -1.46 -0.04 0.00 -1.46 0.00 0.00 37.83 34.86 1a63 s LYS 115 CO 0.00 0.39 0.43 0.08 0.16 0.00 0.00 175.35 176.41 1a63 s VAL 116 N -0.65 5.21 -0.17 4.02 1.01 -1.26 -1.14 120.40 127.42 1a63 s VAL 116 Ca 0.07 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1a63 s VAL 116 Cb -0.08 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1a63 s VAL 116 CO 0.01 0.35 -0.15 0.59 0.00 0.00 0.00 175.10 175.90 1a63 n ASN 117 N 3.55 2.68 -3.98 3.32 3.02 0.38 -4.22 115.26 120.01 1a63 n ASN 117 Ca -0.08 -0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.30 1a63 n ASN 117 Cb 0.52 -0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 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 -2.34 0.73 -0.09 3.52 2.12 -0.74 -3.86 118.70 118.05 1a63 s GLU 118 Ca -0.23 -1.09 -0.27 0.00 0.36 0.00 0.00 54.97 53.74 1a63 s GLU 118 Cb 0.06 0.28 0.06 0.00 0.26 0.00 0.00 34.13 34.79 1a63 s GLU 118 CO 0.39 -0.19 0.63 0.08 -0.54 0.00 0.00 175.26 175.63 1a63 s VAL 119 N -3.89 0.01 0.08 3.70 1.01 -1.22 -2.17 120.40 117.91 1a63 s VAL 119 Ca 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1a63 s VAL 119 Cb 0.06 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.59 1a63 s VAL 119 CO -0.10 -0.03 0.35 -3.20 0.00 0.00 0.00 175.10 172.12 1a63 n ASN 120 N 1.33 0.05 -2.72 3.32 2.85 0.38 -2.28 115.26 118.20 1a63 n ASN 120 Ca -0.18 0.37 -0.08 0.00 -0.11 0.00 0.00 54.58 54.58 1a63 n ASN 120 Cb 0.57 -0.17 0.10 0.00 1.24 0.00 0.00 39.78 41.51 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1a63 n PHE 121 N -3.68 -2.62 -3.57 1.20 7.35 -1.26 -5.00 117.46 109.87 1a63 n PHE 121 Ca 0.08 -1.99 -0.13 0.00 -0.76 0.00 0.00 57.45 54.65 1a63 n PHE 121 Cb 0.25 1.61 -0.05 0.00 0.35 0.00 0.00 39.48 41.64 1a63 n PHE 121 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1a63 s ASP 122 N -1.19 -0.40 0.97 -2.13 1.11 -0.97 -5.17 116.67 108.89 1a63 s ASP 122 Ca 0.22 0.04 -0.01 0.00 0.18 0.00 0.00 52.55 52.98 1a63 s ASP 122 Cb 0.32 0.50 0.02 0.00 1.07 0.00 0.00 42.92 44.82 1a63 s ASP 122 CO -0.07 -0.77 0.09 0.29 1.18 0.00 0.00 175.17 175.89 1a63 n LYS 123 N 0.19 -0.06 -0.26 8.23 4.76 -1.26 -3.37 118.16 126.40 1a63 n LYS 123 Ca -0.18 -0.14 0.01 0.00 -2.87 0.00 0.00 58.31 55.13 1a63 n LYS 123 Cb 0.61 -0.09 0.10 0.00 -1.84 0.00 0.00 35.03 33.82 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 -1.19 1.96 0.00 1.97 -0.04 -1.25 -4.72 135.00 131.73 1a63 n PRO 124 Ca 0.01 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1a63 n PRO 124 Cb 0.04 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 0.15 0.00 0.00 0.54 2.13 -1.26 -4.61 120.64 117.59 1a63 n GLU 125 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1a63 n GLU 125 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1a63 n GLU 125 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a63 n ASN 126 N 0.00 0.00 -0.19 4.31 2.85 -1.26 -5.00 115.26 115.96 1a63 n ASN 126 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 1a63 n ASN 126 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a63 n ALA 127 N 0.00 1.52 0.01 5.20 0.00 -1.26 -4.90 120.51 121.08 1a63 n ALA 127 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1a63 n ALA 127 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.12 0.00 -1.45 0.00 1.74 -1.26 -5.11 116.66 110.46 1a63 n ARG 128 Ca 0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 1a63 n ARG 128 Cb 0.56 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.10 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 -4.74 4.34 0.00 0.55 -0.87 -1.26 -5.29 114.94 107.67 1a63 s ASN 129 Ca 0.00 1.41 0.00 0.00 -1.57 0.00 0.00 52.86 52.70 1a63 s ASN 129 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 1a63 s ASN 129 CO 0.00 -2.08 0.34 2.29 -2.57 0.00 0.00 177.10 175.08