#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 6.56 0.33 7.83 2.47 -1.24 0.95 114.94 131.85 1a63 s ASN 2 Ca 0.00 0.55 0.12 0.00 0.42 0.00 0.00 52.86 53.95 1a63 s ASN 2 Cb 0.00 -2.55 1.03 0.00 -1.45 0.00 0.00 41.25 38.29 1a63 s ASN 2 CO 0.00 -1.30 1.65 0.25 -3.72 0.00 0.00 177.10 173.98 1a63 h LEU 3 N 11.46 0.35 -1.32 3.21 7.12 -1.37 1.17 115.31 135.93 1a63 h LEU 3 Ca -0.24 0.21 0.04 0.00 0.13 0.00 0.00 57.88 58.02 1a63 h LEU 3 Cb 1.07 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 41.35 1a63 h LEU 3 CO 1.12 -0.19 0.49 0.74 -0.13 0.00 0.00 178.44 180.47 1a63 h THR 4 N 0.25 1.08 -0.14 1.05 2.02 -1.89 -0.08 112.91 115.20 1a63 h THR 4 Ca 0.71 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 67.52 1a63 h THR 4 Cb 1.62 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1a63 h THR 4 CO -0.65 0.16 -0.19 1.05 0.37 0.00 0.00 175.52 176.25 1a63 h GLU 5 N 0.87 0.38 -0.45 6.66 4.11 0.97 -0.84 114.58 126.28 1a63 h GLU 5 Ca 0.30 -0.22 0.09 0.00 0.07 0.00 0.00 59.36 59.60 1a63 h GLU 5 Cb 0.12 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1a63 h GLU 5 CO -0.09 0.80 -0.07 -0.07 0.07 0.00 0.00 179.01 179.65 1a63 h LEU 6 N -0.01 -0.33 -0.89 3.06 3.38 -0.21 0.14 115.31 120.46 1a63 h LEU 6 Ca 0.02 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1a63 h LEU 6 Cb 0.75 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1a63 h LEU 6 CO 0.05 -0.12 0.20 0.11 0.09 0.00 0.00 178.44 178.77 1a63 h LYS 7 N 0.04 1.02 0.00 1.13 1.57 -0.98 -2.21 116.57 117.14 1a63 h LYS 7 Ca 0.22 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a63 h LYS 7 Cb 0.33 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1a63 h LYS 7 CO -0.43 0.87 0.00 -0.91 -0.57 0.00 0.00 179.45 178.42 1a63 h ASN 8 N 0.98 0.00 -3.31 0.86 2.35 0.50 -3.40 115.58 113.55 1a63 h ASN 8 Ca 0.22 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.38 1a63 h ASN 8 Cb 0.29 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.58 1a63 h ASN 8 CO -0.01 0.00 0.62 -0.89 -1.65 0.00 0.00 177.43 175.50 1a63 s THR 9 N -3.98 4.69 0.79 2.81 2.01 -0.65 -5.03 115.64 116.28 1a63 s THR 9 Ca -0.03 1.56 -0.14 0.00 0.31 0.00 0.00 61.69 63.39 1a63 s THR 9 Cb 0.12 -4.25 0.07 0.00 0.01 0.00 0.00 72.50 68.44 1a63 s THR 9 CO 0.43 -0.28 1.19 -0.81 -0.69 0.00 0.00 174.62 174.45 1a63 n PRO 10 N 6.40 0.30 -0.30 4.92 -0.04 -1.26 -4.54 135.00 140.47 1a63 n PRO 10 Ca 0.08 0.17 0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1a63 n PRO 10 Cb 0.47 -2.43 0.08 0.00 -0.04 0.00 0.00 33.50 31.58 1a63 n PRO 10 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1a63 h VAL 11 N -0.72 0.12 -0.76 0.52 3.04 -1.94 0.30 116.25 116.81 1a63 h VAL 11 Ca -0.47 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.31 1a63 h VAL 11 Cb 1.31 0.12 -0.07 0.00 -2.01 0.00 0.00 31.29 30.63 1a63 h VAL 11 CO 0.47 0.00 0.41 -1.28 -1.01 0.00 0.00 177.57 176.16 1a63 h SER 12 N -0.03 0.57 0.53 3.17 0.87 -1.97 0.26 113.55 116.95 1a63 h SER 12 Ca 0.36 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.91 1a63 h SER 12 Cb 0.61 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1a63 h SER 12 CO -0.87 0.33 -0.31 -0.33 -0.53 0.00 0.00 176.83 175.12 1a63 h GLU 13 N 0.70 0.00 -0.29 2.24 4.39 -0.82 -0.77 114.58 120.03 1a63 h GLU 13 Ca 0.37 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.92 1a63 h GLU 13 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1a63 h GLU 13 CO -0.25 0.31 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.43 1a63 h LEU 14 N 0.00 0.86 -0.63 1.33 4.07 0.15 -0.69 115.31 120.40 1a63 h LEU 14 Ca -0.00 -0.51 -0.14 0.00 0.08 0.00 0.00 57.88 57.31 1a63 h LEU 14 Cb 0.66 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1a63 h LEU 14 CO 0.04 1.19 -0.43 0.40 -1.08 0.00 0.00 178.44 178.56 1a63 h ILE 15 N 0.54 1.30 -0.39 1.22 5.03 -0.38 -0.56 117.51 124.27 1a63 h ILE 15 Ca 0.03 -1.61 -0.14 0.00 -0.12 0.00 0.00 64.86 63.02 1a63 h ILE 15 Cb 1.00 1.58 -0.01 0.00 -3.03 0.00 0.00 36.82 36.37 1a63 h ILE 15 CO 0.09 0.51 -0.31 0.74 -0.68 0.00 0.00 178.15 178.50 1a63 h THR 16 N 0.47 1.28 -0.54 -0.27 2.02 -1.08 -0.10 112.91 114.69 1a63 h THR 16 Ca 0.04 -1.48 -0.07 0.00 0.77 0.00 0.00 66.41 65.67 1a63 h THR 16 Cb 0.94 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1a63 h THR 16 CO 0.08 0.49 0.05 -0.07 0.37 0.00 0.00 175.52 176.45 1a63 h LEU 17 N 0.70 0.83 -0.26 2.58 3.38 -1.00 -1.04 115.31 120.49 1a63 h LEU 17 Ca 0.07 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1a63 h LEU 17 Cb 0.89 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1a63 h LEU 17 CO 0.08 0.86 -0.11 1.23 0.09 0.00 0.00 178.44 180.59 1a63 h GLY 18 N 0.99 0.58 0.92 0.83 0.00 -0.95 -2.53 103.07 102.92 1a63 h GLY 18 Ca 0.17 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 47.05 1a63 h GLY 18 CO 0.01 0.47 0.52 1.05 0.00 0.00 0.00 176.54 178.60 1a63 h GLU 19 N 0.27 0.81 0.00 4.80 -0.00 -0.69 0.66 114.58 120.43 1a63 h GLU 19 Ca 0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.37 1a63 h GLU 19 Cb 0.62 -0.18 -0.00 0.00 -0.00 0.00 0.00 28.75 29.18 1a63 h GLU 19 CO 0.04 0.53 -0.02 -0.91 -0.00 0.00 0.00 179.01 178.65 1a63 h ASN 20 N 0.83 0.00 -0.16 3.06 -0.26 -0.77 -1.20 115.58 117.08 1a63 h ASN 20 Ca 0.35 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1a63 h ASN 20 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1a63 h ASN 20 CO -0.13 0.02 0.00 0.23 -1.06 0.00 0.00 177.43 176.49 1a63 n MET 21 N -3.70 2.23 -0.14 0.81 2.81 0.22 -4.97 117.12 114.38 1a63 n MET 21 Ca -0.03 -1.82 0.00 0.00 -1.81 0.00 0.00 57.70 54.05 1a63 n MET 21 Cb 0.11 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.35 0.63 2.77 3.03 0.00 -0.46 -4.96 105.19 107.56 1a63 n GLY 22 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1a63 n GLY 22 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1a63 n LEU 23 N 0.00 6.51 0.00 0.99 -0.00 -1.11 -4.98 117.00 118.41 1a63 n LEU 23 Ca 0.00 -5.37 0.00 0.00 -0.00 0.00 0.00 56.01 50.64 1a63 n LEU 23 Cb 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.32 1a63 n LEU 23 CO 0.00 1.97 0.00 -1.84 -0.00 0.00 0.00 177.39 177.52 1a63 n GLU 24 N 0.43 -0.80 -1.00 1.47 0.28 -1.26 -4.30 120.64 115.45 1a63 n GLU 24 Ca 0.37 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.37 1a63 n GLU 24 Cb 0.31 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.18 1a63 n GLU 24 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1a63 n ASN 25 N -1.98 -3.81 0.20 -1.84 2.85 -1.26 -4.90 115.26 104.53 1a63 n ASN 25 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.61 1a63 n ASN 25 Cb 0.00 -1.31 0.35 0.00 1.24 0.00 0.00 39.78 40.06 1a63 n ASN 25 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1a63 h LEU 26 N 0.00 0.00 -1.00 1.20 3.38 -1.94 -3.30 115.31 113.66 1a63 h LEU 26 Ca -0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1a63 h LEU 26 Cb 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 1a63 h LEU 26 CO 0.00 0.00 0.57 0.00 0.09 0.00 0.00 178.44 179.10 1a63 h ALA 27 N 2.12 1.83 -0.00 1.53 0.00 -1.95 2.17 119.26 124.96 1a63 h ALA 27 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1a63 h ALA 27 Cb 0.80 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a63 h ALA 27 CO 0.00 -0.39 -0.00 0.54 0.00 0.00 0.00 179.25 179.40 1a63 n ARG 28 N -4.96 1.02 -3.98 0.00 1.74 -1.24 -4.84 116.66 104.38 1a63 n ARG 28 Ca 0.28 -0.11 -0.24 0.00 -0.77 0.00 0.00 57.85 57.02 1a63 n ARG 28 Cb 0.83 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 1a63 n ARG 28 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1a63 s MET 29 N -2.06 3.33 0.71 5.56 -1.94 0.73 -5.12 119.30 120.52 1a63 s MET 29 Ca 0.45 -0.72 -0.03 0.00 -1.71 0.00 0.00 55.69 53.68 1a63 s MET 29 Cb 0.22 -2.87 0.11 0.00 2.01 0.00 0.00 34.83 34.29 1a63 s MET 29 CO 0.38 0.48 0.99 0.50 -0.01 0.00 0.00 175.02 177.36 1a63 s ARG 30 N -3.48 1.80 0.32 2.03 3.52 -1.26 -4.87 118.95 117.02 1a63 s ARG 30 Ca 0.34 -0.83 0.06 0.00 -0.13 0.00 0.00 55.73 55.16 1a63 s ARG 30 Cb -0.10 -2.28 0.55 0.00 -1.56 0.00 0.00 34.95 31.56 1a63 s ARG 30 CO 0.28 -1.39 1.79 1.57 -0.81 0.00 0.00 175.30 176.74 1a63 h LYS 31 N -0.55 0.36 0.37 5.12 2.10 -1.96 -0.65 116.57 121.36 1a63 h LYS 31 Ca -0.40 -0.12 -0.02 0.00 -2.00 0.00 0.00 60.65 58.12 1a63 h LYS 31 Cb 1.28 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1a63 h LYS 31 CO 0.45 0.57 -0.18 1.96 -2.00 0.00 0.00 179.45 180.25 1a63 h GLN 32 N 0.33 -0.48 -0.44 0.07 1.08 -1.99 -0.78 115.11 112.89 1a63 h GLN 32 Ca 0.05 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 1a63 h GLN 32 Cb 0.57 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1a63 h GLN 32 CO 0.04 -0.18 -0.10 0.38 -0.95 0.00 0.00 178.83 178.02 1a63 h ASP 33 N -0.77 0.85 -0.82 1.46 3.04 -1.95 -1.41 116.42 116.81 1a63 h ASP 33 Ca -0.05 -0.36 -0.02 0.00 -3.24 0.00 0.00 57.03 53.36 1a63 h ASP 33 Cb 0.52 -0.23 -0.04 0.00 -1.04 0.00 0.00 39.33 38.54 1a63 h ASP 33 CO 0.08 1.01 0.44 0.40 -2.04 0.00 0.00 179.24 179.13 1a63 h ILE 34 N 0.68 1.25 -0.41 4.15 2.04 -1.14 0.20 117.51 124.27 1a63 h ILE 34 Ca 0.11 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1a63 h ILE 34 Cb 0.63 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1a63 h ILE 34 CO 0.04 0.28 -0.15 -0.29 0.00 0.00 0.00 178.15 178.03 1a63 h ILE 35 N 1.15 1.26 -0.25 -0.67 2.10 -0.97 0.40 117.51 120.53 1a63 h ILE 35 Ca 0.29 -1.23 -0.05 0.00 1.08 0.00 0.00 64.86 64.95 1a63 h ILE 35 Cb 0.05 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 1a63 h ILE 35 CO -0.04 0.42 -0.04 -0.26 -1.08 0.00 0.00 178.15 177.14 1a63 h PHE 36 N 0.69 0.52 0.23 2.19 -1.00 -0.60 -1.02 116.94 117.95 1a63 h PHE 36 Ca 0.11 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1a63 h PHE 36 Cb 0.64 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1a63 h PHE 36 CO 0.03 0.67 -0.11 0.00 -1.61 0.00 0.00 178.31 177.29 1a63 h ALA 37 N 0.78 -0.31 -0.58 2.45 0.00 -0.44 -1.21 119.26 119.95 1a63 h ALA 37 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1a63 h ALA 37 Cb 0.49 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1a63 h ALA 37 CO 0.02 -0.50 -0.14 0.97 0.00 0.00 0.00 179.25 179.60 1a63 h ILE 38 N -0.66 0.42 -0.90 0.00 6.09 -0.23 0.60 117.51 122.84 1a63 h ILE 38 Ca -0.03 -0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.58 1a63 h ILE 38 Cb 0.47 0.42 -0.08 0.00 0.47 0.00 0.00 36.82 38.09 1a63 h ILE 38 CO 0.05 0.00 0.52 0.25 -3.07 0.00 0.00 178.15 175.90 1a63 h LEU 39 N 0.00 0.72 -1.36 2.19 5.85 -1.05 0.20 115.31 121.86 1a63 h LEU 39 Ca 0.28 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 1a63 h LEU 39 Cb 0.42 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1a63 h LEU 39 CO -0.59 0.36 0.36 0.11 -0.34 0.00 0.00 178.44 178.33 1a63 h LYS 40 N 0.80 0.79 0.00 1.25 1.79 0.13 -0.15 116.57 121.19 1a63 h LYS 40 Ca 0.46 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1a63 h LYS 40 Cb 0.52 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1a63 h LYS 40 CO -0.30 0.55 -0.00 1.96 -1.08 0.00 0.00 179.45 180.59 1a63 h GLN 41 N 0.81 -0.01 -0.15 3.15 1.08 0.17 -2.97 115.11 117.20 1a63 h GLN 41 Ca 0.21 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1a63 h GLN 41 Cb -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1a63 h GLN 41 CO -0.04 0.83 0.03 1.25 -0.95 0.00 0.00 178.83 179.94 1a63 h HIS 42 N -0.97 0.20 -0.57 2.96 2.76 -0.81 -0.63 115.15 118.08 1a63 h HIS 42 Ca -0.00 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1a63 h HIS 42 Cb 0.84 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.70 1a63 h HIS 42 CO 0.23 0.19 0.35 0.00 -1.30 0.00 0.00 177.93 177.41 1a63 h ALA 43 N 1.83 0.74 -0.76 5.26 0.00 -1.09 -0.35 119.26 124.89 1a63 h ALA 43 Ca 0.05 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1a63 h ALA 43 Cb 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 1a63 h ALA 43 CO -0.00 0.09 0.21 0.87 0.00 0.00 0.00 179.25 180.43 1a63 h LYS 44 N 0.71 0.29 0.00 0.00 6.56 -0.94 2.29 116.57 125.48 1a63 h LYS 44 Ca 0.23 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1a63 h LYS 44 Cb -0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1a63 h LYS 44 CO -0.09 0.19 0.00 0.43 -2.06 0.00 0.00 179.45 177.93 1a63 n SER 45 N -5.13 0.00 -0.65 0.86 7.64 -0.19 -4.84 113.62 111.31 1a63 n SER 45 Ca 0.15 0.36 -0.06 0.00 1.01 0.00 0.00 58.87 60.34 1a63 n SER 45 Cb 0.48 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.17 3.87 0.23 0.00 0.77 -5.03 105.19 104.75 1a63 n GLY 46 Ca 0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.20 2.36 -0.08 1.61 0.41 -1.11 -5.02 118.70 112.68 1a63 s GLU 47 Ca 0.00 0.36 -0.22 0.00 -0.41 0.00 0.00 54.97 54.70 1a63 s GLU 47 Cb 0.00 -1.97 -0.04 0.00 -1.78 0.00 0.00 34.13 30.34 1a63 s GLU 47 CO 0.00 -1.37 0.64 -0.51 -0.49 0.00 0.00 175.26 173.53 1a63 s ASP 48 N -4.35 6.91 -0.03 -0.19 1.11 -1.26 -4.79 116.67 114.06 1a63 s ASP 48 Ca 0.60 1.09 0.03 0.00 0.18 0.00 0.00 52.55 54.45 1a63 s ASP 48 Cb -0.12 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.50 1a63 s ASP 48 CO 0.51 -0.07 -0.11 0.27 1.18 0.00 0.00 175.17 176.95 1a63 s ILE 49 N 0.71 0.91 0.14 0.77 -4.36 -1.26 -4.65 121.20 113.45 1a63 s ILE 49 Ca 0.34 -0.43 -0.03 0.00 -0.26 0.00 0.00 60.65 60.27 1a63 s ILE 49 Cb -0.17 -0.80 -0.03 0.00 1.25 0.00 0.00 42.46 42.71 1a63 s ILE 49 CO 0.16 0.28 0.11 0.72 0.24 0.00 0.00 174.94 176.45 1a63 s PHE 50 N 0.15 0.74 0.34 1.37 -0.12 0.27 -2.96 117.98 117.77 1a63 s PHE 50 Ca -0.03 -1.12 0.09 0.00 -0.05 0.00 0.00 56.93 55.82 1a63 s PHE 50 Cb -0.09 -0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1a63 s PHE 50 CO 0.01 -0.56 0.06 0.20 -0.05 0.00 0.00 175.22 174.88 1a63 s GLY 51 N -3.02 2.01 0.01 1.99 0.00 -0.19 -0.87 107.32 107.24 1a63 s GLY 51 Ca 0.22 -1.90 -0.29 0.00 0.00 0.00 0.00 44.72 42.75 1a63 s GLY 51 CO 0.01 -1.84 1.03 0.51 0.00 0.00 0.00 173.10 172.81 1a63 s ASP 52 N -3.77 -0.22 0.00 1.64 -4.77 -1.26 -1.50 116.67 106.80 1a63 s ASP 52 Ca 0.36 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.46 1a63 s ASP 52 Cb -0.01 0.34 0.00 0.00 -1.09 0.00 0.00 42.92 42.16 1a63 s ASP 52 CO 0.21 -0.58 0.00 0.61 0.70 0.00 0.00 175.17 176.10 1a63 n GLY 53 N -0.33 0.49 2.94 2.12 0.00 -0.35 -4.28 105.19 105.78 1a63 n GLY 53 Ca -0.06 -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 -1.99 1.18 0.93 1.61 1.01 -0.17 -1.15 120.40 121.81 1a63 s VAL 54 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1a63 s VAL 54 Cb 0.00 -1.17 0.15 0.00 0.00 0.00 0.00 36.38 35.37 1a63 s VAL 54 CO 0.00 0.39 1.12 -0.76 0.00 0.00 0.00 175.10 175.84 1a63 s LEU 55 N 1.65 2.55 -0.10 3.92 1.43 -0.03 -3.52 118.68 124.57 1a63 s LEU 55 Ca 0.05 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.13 1a63 s LEU 55 Cb -0.13 -4.36 0.04 0.00 0.03 0.00 0.00 46.19 41.77 1a63 s LEU 55 CO -0.09 -3.10 0.04 -0.70 0.23 0.00 0.00 176.35 172.73 1a63 s GLU 56 N -4.67 0.34 0.53 1.70 2.56 0.54 0.76 118.70 120.45 1a63 s GLU 56 Ca 0.66 0.05 -0.08 0.00 0.00 0.00 0.00 54.97 55.60 1a63 s GLU 56 Cb -0.22 -1.22 -0.04 0.00 2.00 0.00 0.00 34.13 34.65 1a63 s GLU 56 CO 0.59 -0.44 0.88 0.42 -0.56 0.00 0.00 175.26 176.15 1a63 s ILE 57 N 2.03 4.81 -0.01 -3.70 -1.09 -1.26 -1.05 121.20 120.93 1a63 s ILE 57 Ca 0.03 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.00 1a63 s ILE 57 Cb -0.14 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1a63 s ILE 57 CO -0.06 -0.92 -0.11 -0.76 -1.23 0.00 0.00 174.94 171.85 1a63 s LEU 58 N -4.80 1.96 0.39 2.97 1.02 0.38 -4.91 118.68 115.70 1a63 s LEU 58 Ca 0.51 -0.21 0.28 0.00 0.02 0.00 0.00 54.13 54.73 1a63 s LEU 58 Cb -0.11 -0.61 1.35 0.00 0.02 0.00 0.00 46.19 46.84 1a63 s LEU 58 CO 0.47 0.13 1.44 1.67 0.02 0.00 0.00 176.35 180.07 1a63 n GLN 59 N 2.92 -0.04 0.00 1.70 7.27 -1.26 0.18 117.38 128.15 1a63 n GLN 59 Ca -0.15 1.17 0.01 0.00 0.07 0.00 0.00 57.00 58.10 1a63 n GLN 59 Cb 0.55 -2.27 0.03 0.00 2.41 0.00 0.00 30.24 30.96 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 -4.63 0.00 0.00 1.69 8.00 -1.26 -4.80 116.55 115.55 1a63 n ASP 60 Ca 0.37 0.38 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1a63 n ASP 60 Cb 1.40 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 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 -1.25 0.77 3.48 0.44 0.00 0.47 -5.06 105.19 104.05 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 1.97 0.00 0.00 0.00 173.32 175.29 1a63 n PHE 62 N -2.36 0.43 -3.88 1.61 -1.74 -1.24 -3.94 117.46 106.34 1a63 n PHE 62 Ca 0.00 -2.63 -0.08 0.00 -0.56 0.00 0.00 57.45 54.19 1a63 n PHE 62 Cb 0.00 -0.10 -0.02 0.00 1.52 0.00 0.00 39.48 40.88 1a63 n PHE 62 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1a63 s GLY 63 N -3.62 0.06 0.10 4.97 0.00 0.02 -0.47 107.32 108.38 1a63 s GLY 63 Ca 0.15 -0.45 0.06 0.00 0.00 0.00 0.00 44.72 44.48 1a63 s GLY 63 CO 0.11 -0.20 -0.14 -1.36 0.00 0.00 0.00 173.10 171.50 1a63 s PHE 64 N -3.80 1.33 0.26 1.90 0.40 -0.22 -0.07 117.98 117.78 1a63 s PHE 64 Ca 0.13 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1a63 s PHE 64 Cb -0.05 -0.72 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 1a63 s PHE 64 CO 0.08 0.11 0.40 -1.17 0.70 0.00 0.00 175.22 175.34 1a63 s LEU 65 N -2.20 4.25 0.00 -0.37 0.20 -0.35 -0.34 118.68 119.87 1a63 s LEU 65 Ca 0.05 0.14 0.00 0.00 0.69 0.00 0.00 54.13 55.01 1a63 s LEU 65 Cb -0.07 -2.95 0.00 0.00 -0.43 0.00 0.00 46.19 42.75 1a63 s LEU 65 CO 0.03 -0.12 0.00 -2.11 -0.29 0.00 0.00 176.35 173.85 1a63 n ARG 66 N -1.49 -0.30 0.00 1.98 1.85 -1.23 -1.57 116.66 115.90 1a63 n ARG 66 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1a63 n ARG 66 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1a63 n ARG 66 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1a63 n SER 67 N 0.07 0.00 0.00 2.89 7.64 -1.26 -1.00 113.62 121.96 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 0.91 -0.61 -0.43 0.00 -1.26 -3.83 120.51 112.29 1a63 n ALA 68 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1a63 n ALA 68 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 3.51 0.00 0.00 8.00 -1.26 -3.64 116.55 123.16 1a63 n ASP 69 Ca 0.00 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.38 1a63 n ASP 69 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a63 n SER 70 N 2.50 2.33 0.00 -2.24 7.64 -1.26 -4.97 113.62 117.62 1a63 n SER 70 Ca 0.24 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1a63 n SER 70 Cb 0.57 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 1a63 n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a63 n SER 71 N -1.07 0.00 0.00 6.43 7.64 -1.24 -5.02 113.62 120.37 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 -1.06 1.43 4.01 -1.24 -4.92 117.16 115.37 1a63 n TYR 72 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1a63 n TYR 72 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.08 1a63 n TYR 72 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1a63 n LEU 73 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.00 117.00 123.23 1a63 n LEU 73 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1a63 n LEU 73 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1a63 n LEU 73 CO 0.00 -0.83 0.00 0.00 -1.33 0.00 0.00 177.39 175.23 1a63 n ALA 74 N -3.23 0.00 0.00 -1.18 0.00 -1.26 -4.98 120.51 109.85 1a63 n ALA 74 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1a63 n ALA 74 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 4.80 0.83 0.32 0.00 0.00 -1.26 -4.99 105.19 104.89 1a63 n GLY 75 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 1.12 -0.65 1.61 0.13 -2.02 -2.87 132.00 129.33 1a63 h PRO 76 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1a63 h PRO 76 Cb 0.00 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 30.99 1a63 h PRO 76 CO 0.00 1.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.53 1a63 n ASP 77 N -4.23 2.18 -3.18 1.44 9.92 -1.26 -4.88 116.55 116.54 1a63 n ASP 77 Ca 0.05 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 1a63 n ASP 77 Cb 0.28 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 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 0.22 0.00 -3.94 -2.24 9.92 -1.08 -4.92 116.55 114.50 1a63 n ASP 78 Ca 0.09 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.19 1a63 n ASP 78 Cb 0.45 0.00 -0.15 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 0.41 0.35 0.53 1.09 -0.61 -4.81 121.20 118.16 1a63 s ILE 79 Ca 0.00 -0.19 -0.23 0.00 -1.10 0.00 0.00 60.65 59.12 1a63 s ILE 79 Cb 0.00 -0.37 -0.10 0.00 -1.06 0.00 0.00 42.46 40.93 1a63 s ILE 79 CO 0.00 0.13 0.92 -0.47 -0.10 0.00 0.00 174.94 175.42 1a63 s TYR 80 N 0.06 3.56 -0.15 3.97 5.04 -0.22 -1.21 117.35 128.39 1a63 s TYR 80 Ca -0.00 1.67 -0.04 0.00 -2.44 0.00 0.00 57.07 56.26 1a63 s TYR 80 Cb -0.04 -2.85 0.07 0.00 0.35 0.00 0.00 41.96 39.48 1a63 s TYR 80 CO -0.00 0.12 0.15 0.08 -1.34 0.00 0.00 175.55 174.55 1a63 s VAL 81 N -1.79 -0.21 0.84 3.14 1.01 0.89 -0.66 120.40 123.63 1a63 s VAL 81 Ca 0.53 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 1a63 s VAL 81 Cb -0.15 -0.52 0.10 0.00 0.00 0.00 0.00 36.38 35.81 1a63 s VAL 81 CO 0.20 -0.13 1.11 -0.44 0.00 0.00 0.00 175.10 175.84 1a63 s SER 82 N 2.24 4.08 0.03 3.32 0.01 -1.26 -0.80 113.70 121.31 1a63 s SER 82 Ca 0.04 1.18 -0.26 0.00 1.31 0.00 0.00 55.95 58.22 1a63 s SER 82 Cb -0.15 -1.85 -0.17 0.00 0.21 0.00 0.00 66.02 64.06 1a63 s SER 82 CO -0.09 -2.21 1.36 1.55 0.41 0.00 0.00 173.24 174.26 1a63 h PRO 83 N -1.26 -0.37 -0.98 12.44 0.13 -1.93 -1.37 132.00 138.66 1a63 h PRO 83 Ca -0.48 0.03 0.30 0.00 -0.87 0.00 0.00 66.00 64.97 1a63 h PRO 83 Cb 1.29 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 32.36 1a63 h PRO 83 CO 0.60 -0.09 0.50 0.77 -0.23 0.00 0.00 178.00 179.55 1a63 h SER 84 N -0.65 0.41 0.69 1.44 0.02 -1.94 2.26 113.55 115.79 1a63 h SER 84 Ca -0.04 0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1a63 h SER 84 Cb 0.46 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.16 1a63 h SER 84 CO 0.07 -0.12 -0.33 1.56 -1.14 0.00 0.00 176.83 176.86 1a63 h GLN 85 N 0.32 -0.89 0.43 3.45 1.08 -1.81 1.29 115.11 118.98 1a63 h GLN 85 Ca 0.69 0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.93 1a63 h GLN 85 Cb 1.52 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 29.15 1a63 h GLN 85 CO -0.61 -0.56 -0.24 0.82 -0.95 0.00 0.00 178.83 177.28 1a63 h ILE 86 N -1.06 0.49 -0.79 2.54 2.04 0.67 -2.50 117.51 118.90 1a63 h ILE 86 Ca -0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1a63 h ILE 86 Cb 0.74 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1a63 h ILE 86 CO 0.16 0.00 0.46 0.03 0.00 0.00 0.00 178.15 178.80 1a63 h ARG 87 N -0.63 0.79 -0.63 2.37 -0.00 0.36 0.50 114.38 117.14 1a63 h ARG 87 Ca -0.05 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 1a63 h ARG 87 Cb 0.51 -0.18 -0.03 0.00 0.00 0.00 0.00 29.97 30.27 1a63 h ARG 87 CO 0.06 0.52 0.39 0.00 0.00 0.00 0.00 179.97 180.95 1a63 h ARG 88 N 0.81 0.84 -0.36 0.04 2.47 0.20 -2.84 114.38 115.54 1a63 h ARG 88 Ca 0.36 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1a63 h ARG 88 Cb 0.25 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1a63 h ARG 88 CO -0.21 0.58 0.00 1.19 0.56 0.00 0.00 179.97 182.09 1a63 n PHE 89 N -4.42 0.67 -3.40 3.04 3.72 -0.91 -4.98 117.46 111.19 1a63 n PHE 89 Ca 0.06 -0.60 -0.17 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 38.57 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 0.35 -3.30 -4.75 4.37 2.85 0.06 -4.97 115.26 109.86 1a63 n ASN 90 Ca 0.15 -0.66 -0.24 0.00 -0.11 0.00 0.00 54.58 53.72 1a63 n ASN 90 Cb 0.58 -5.07 0.09 0.00 1.24 0.00 0.00 39.78 36.62 1a63 n ASN 90 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1a63 s LEU 91 N -6.11 3.00 0.09 1.20 1.02 -0.58 -5.03 118.68 112.27 1a63 s LEU 91 Ca 0.13 -0.08 -0.09 0.00 0.02 0.00 0.00 54.13 54.11 1a63 s LEU 91 Cb -0.02 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.76 1a63 s LEU 91 CO 0.74 -1.70 0.21 -0.13 0.02 0.00 0.00 176.35 175.48 1a63 s ARG 92 N -5.12 0.86 0.77 1.70 0.52 -1.26 -4.87 118.95 111.55 1a63 s ARG 92 Ca 0.63 -0.92 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 1a63 s ARG 92 Cb -0.07 0.35 0.06 0.00 0.52 0.00 0.00 34.95 35.81 1a63 s ARG 92 CO 0.44 -0.28 1.17 -0.08 0.02 0.00 0.00 175.30 176.57 1a63 s THR 93 N -3.81 2.46 0.00 0.02 -1.32 -1.26 -1.53 115.64 110.20 1a63 s THR 93 Ca 0.04 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1a63 s THR 93 Cb 0.04 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1a63 s THR 93 CO -0.11 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 1a63 n GLY 94 N 0.07 2.58 3.77 6.08 0.00 0.23 -4.91 105.19 113.01 1a63 n GLY 94 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1a63 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a63 s ASP 95 N -3.39 5.95 -0.24 1.61 1.11 -0.58 -4.65 116.67 116.48 1a63 s ASP 95 Ca 0.00 2.36 -0.20 0.00 0.18 0.00 0.00 52.55 54.89 1a63 s ASP 95 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 1a63 s ASP 95 CO 0.00 -1.07 0.61 -0.89 1.18 0.00 0.00 175.17 175.00 1a63 s THR 96 N -1.54 5.01 0.19 -1.27 2.01 -1.26 -0.85 115.64 117.93 1a63 s THR 96 Ca 0.66 1.10 -0.07 0.00 0.31 0.00 0.00 61.69 63.69 1a63 s THR 96 Cb -0.30 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 1a63 s THR 96 CO 0.36 0.06 0.27 -0.63 -0.69 0.00 0.00 174.62 173.98 1a63 s ILE 97 N 2.31 0.04 -0.13 1.82 1.01 -0.30 -0.58 121.20 125.37 1a63 s ILE 97 Ca 0.26 -1.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.20 1a63 s ILE 97 Cb -0.16 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1a63 s ILE 97 CO 0.09 -0.17 0.33 -0.94 0.00 0.00 0.00 174.94 174.25 1a63 s SER 98 N -3.03 -0.35 0.30 3.58 1.04 -0.93 -1.22 113.70 113.09 1a63 s SER 98 Ca 0.24 0.68 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 1a63 s SER 98 Cb 0.04 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.89 1a63 s SER 98 CO 0.05 -0.12 0.88 -0.83 0.98 0.00 0.00 173.24 174.20 1a63 s GLY 99 N 0.30 0.24 0.39 7.32 0.00 -0.56 -0.66 107.32 114.35 1a63 s GLY 99 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1a63 s GLY 99 CO -0.01 0.66 0.72 -1.59 0.00 0.00 0.00 173.10 172.88 1a63 s LYS 100 N -2.37 3.69 0.27 2.90 -2.85 -0.24 -1.03 119.74 120.11 1a63 s LYS 100 Ca 0.17 0.29 0.09 0.00 -1.00 0.00 0.00 55.97 55.52 1a63 s LYS 100 Cb -0.04 -2.46 -0.05 0.00 -2.06 0.00 0.00 37.83 33.22 1a63 s LYS 100 CO 0.09 -0.00 -0.14 0.96 0.10 0.00 0.00 175.35 176.36 1a63 s ILE 101 N -2.37 2.05 -0.07 3.79 -4.36 -1.16 -0.69 121.20 118.40 1a63 s ILE 101 Ca 0.48 -2.26 -0.03 0.00 -0.26 0.00 0.00 60.65 58.59 1a63 s ILE 101 Cb -0.10 -2.32 0.04 0.00 1.25 0.00 0.00 42.46 41.32 1a63 s ILE 101 CO 0.34 -0.40 0.15 -0.60 0.24 0.00 0.00 174.94 174.67 1a63 s ARG 102 N -3.61 0.10 -0.29 0.37 6.06 -0.33 -4.77 118.95 116.48 1a63 s ARG 102 Ca 0.28 0.39 -0.29 0.00 -2.50 0.00 0.00 55.73 53.62 1a63 s ARG 102 Cb -0.01 -0.18 0.00 0.00 0.06 0.00 0.00 34.95 34.82 1a63 s ARG 102 CO 0.12 -0.17 1.29 -1.25 -2.50 0.00 0.00 175.30 172.79 1a63 s PRO 103 N 1.24 3.95 0.00 5.12 0.04 -1.26 -1.44 135.00 142.66 1a63 s PRO 103 Ca -0.09 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1a63 s PRO 103 Cb -0.12 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1a63 s PRO 103 CO -0.06 -1.07 0.00 -0.35 0.04 0.00 0.00 177.00 175.56 1a63 n PRO 104 N 7.22 2.26 -2.10 0.56 -0.04 -1.26 -4.96 135.00 136.68 1a63 n PRO 104 Ca 0.15 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.33 1a63 n PRO 104 Cb 0.46 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.99 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 2.28 0.60 0.54 1.02 -1.26 -4.93 119.74 118.00 1a63 s LYS 105 Ca 0.00 -0.04 0.35 0.00 0.02 0.00 0.00 55.97 56.31 1a63 s LYS 105 Cb 0.00 -2.10 1.94 0.00 -0.52 0.00 0.00 37.83 37.16 1a63 s LYS 105 CO 0.00 -1.27 2.24 0.93 -0.92 0.00 0.00 175.35 176.34 1a63 h GLU 106 N -0.70 0.00 0.00 1.68 4.39 -2.00 -1.75 114.58 116.21 1a63 h GLU 106 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1a63 h GLU 106 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1a63 h GLU 106 CO 0.62 0.03 0.00 0.41 -1.16 0.00 0.00 179.01 178.91 1a63 n GLY 107 N -0.99 -0.36 0.04 -3.84 0.00 -1.26 -2.54 105.19 96.25 1a63 n GLY 107 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 1a63 n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a63 n GLU 108 N -0.86 1.33 0.00 1.61 4.71 -0.66 -4.98 120.64 121.79 1a63 n GLU 108 Ca 0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 1a63 n GLU 108 Cb 0.03 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1a63 n GLU 108 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1a63 n ARG 109 N -2.32 0.00 -4.11 3.49 3.00 -1.05 -4.89 116.66 110.78 1a63 n ARG 109 Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.39 1a63 n ARG 109 Cb 0.73 -0.24 -0.07 0.00 0.00 0.00 0.00 32.46 32.88 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 3.13 1.01 -0.14 1.51 -1.26 -5.10 117.35 116.49 1a63 s TYR 110 Ca 0.00 0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 56.01 1a63 s TYR 110 Cb 0.00 -1.62 0.19 0.00 -0.11 0.00 0.00 41.96 40.42 1a63 s TYR 110 CO 0.00 0.50 1.08 -0.06 -1.11 0.00 0.00 175.55 175.97 1a63 s PHE 111 N -1.29 1.98 0.18 2.71 0.40 -1.26 -4.64 117.98 116.05 1a63 s PHE 111 Ca 0.26 1.12 0.10 0.00 -0.60 0.00 0.00 56.93 57.81 1a63 s PHE 111 Cb -0.12 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.16 1a63 s PHE 111 CO 0.18 -2.98 -0.22 0.00 0.70 0.00 0.00 175.22 172.90 1a63 s ALA 112 N -2.84 2.33 0.61 5.36 0.00 -0.52 -1.05 121.76 125.64 1a63 s ALA 112 Ca 0.66 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1a63 s ALA 112 Cb -0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1a63 s ALA 112 CO 0.59 0.37 1.22 -1.17 0.00 0.00 0.00 175.76 176.76 1a63 s LEU 113 N -2.61 3.62 0.11 0.00 2.96 0.16 -1.18 118.68 121.74 1a63 s LEU 113 Ca 0.18 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 1a63 s LEU 113 Cb -0.07 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 42.02 1a63 s LEU 113 CO 0.08 -1.70 0.00 -0.11 -1.32 0.00 0.00 176.35 173.30 1a63 n LEU 114 N -1.75 0.35 -4.24 -0.68 7.94 0.14 -4.59 117.00 114.17 1a63 n LEU 114 Ca 0.14 0.17 -0.27 0.00 -1.11 0.00 0.00 56.01 54.94 1a63 n LEU 114 Cb 0.50 -0.02 -0.15 0.00 0.53 0.00 0.00 43.42 44.28 1a63 n LEU 114 CO 0.45 -0.54 -0.53 -1.59 -1.11 0.00 0.00 177.39 174.07 1a63 s LYS 115 N -2.00 1.56 -0.12 1.96 -2.85 -1.00 -4.93 119.74 112.36 1a63 s LYS 115 Ca 0.00 -0.86 -0.17 0.00 -1.00 0.00 0.00 55.97 53.94 1a63 s LYS 115 Cb 0.00 -1.60 -0.04 0.00 -2.06 0.00 0.00 37.83 34.13 1a63 s LYS 115 CO 0.00 0.42 0.43 0.08 0.10 0.00 0.00 175.35 176.38 1a63 s VAL 116 N -0.66 5.21 -0.17 1.79 1.01 -1.26 -1.08 120.40 125.24 1a63 s VAL 116 Ca 0.08 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1a63 s VAL 116 Cb -0.09 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1a63 s VAL 116 CO 0.01 0.36 -0.16 0.59 0.00 0.00 0.00 175.10 175.90 1a63 n ASN 117 N 3.52 2.57 -3.96 3.32 3.02 0.17 -4.95 115.26 118.94 1a63 n ASN 117 Ca -0.09 -0.06 -0.08 0.00 -0.03 0.00 0.00 54.58 54.32 1a63 n ASN 117 Cb 0.52 -0.29 -0.09 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.72 -0.25 3.52 -6.30 -0.77 -4.96 118.70 108.32 1a63 s GLU 118 Ca -0.23 -1.05 -0.22 0.00 -2.50 0.00 0.00 54.97 50.98 1a63 s GLU 118 Cb 0.06 0.27 0.07 0.00 0.00 0.00 0.00 34.13 34.53 1a63 s GLU 118 CO 0.38 -0.19 0.66 0.08 0.02 0.00 0.00 175.26 176.21 1a63 s VAL 119 N -3.76 -0.00 -1.63 3.70 1.01 -1.24 -2.18 120.40 116.30 1a63 s VAL 119 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1a63 s VAL 119 Cb 0.06 -0.93 0.12 0.00 0.00 0.00 0.00 36.38 35.63 1a63 s VAL 119 CO -0.10 0.00 0.78 0.59 0.00 0.00 0.00 175.10 176.37 1a63 n ASN 120 N 3.02 -3.21 -2.99 3.32 5.03 0.25 -0.74 115.26 119.94 1a63 n ASN 120 Ca -0.15 -0.96 -0.13 0.00 0.87 0.00 0.00 54.58 54.20 1a63 n ASN 120 Cb 0.56 -3.03 -0.03 0.00 -1.02 0.00 0.00 39.78 36.27 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1a63 n PHE 121 N -4.45 -1.55 -3.94 3.10 -0.00 -1.26 -4.80 117.46 104.56 1a63 n PHE 121 Ca 0.02 0.22 -0.10 0.00 -0.00 0.00 0.00 57.45 57.58 1a63 n PHE 121 Cb 0.52 -1.18 -0.02 0.00 -0.00 0.00 0.00 39.48 38.81 1a63 n PHE 121 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1a63 s ASP 122 N -2.24 0.17 1.15 -2.13 1.11 0.08 -5.15 116.67 109.66 1a63 s ASP 122 Ca 0.26 -1.09 -0.12 0.00 0.18 0.00 0.00 52.55 51.78 1a63 s ASP 122 Cb -0.15 0.71 0.28 0.00 1.07 0.00 0.00 42.92 44.83 1a63 s ASP 122 CO 0.32 -1.38 1.04 -0.54 1.18 0.00 0.00 175.17 175.78 1a63 s LYS 123 N -3.23 -0.83 0.00 8.23 -0.14 -1.26 -3.64 119.74 118.87 1a63 s LYS 123 Ca 0.21 0.93 -0.01 0.00 -1.36 0.00 0.00 55.97 55.73 1a63 s LYS 123 Cb -0.03 -1.56 -0.03 0.00 -1.68 0.00 0.00 37.83 34.53 1a63 s LYS 123 CO 0.12 -3.69 1.48 -0.35 -0.76 0.00 0.00 175.35 172.15 1a63 n PRO 124 N -4.90 0.74 0.00 -1.68 -0.04 -1.26 -4.69 135.00 123.17 1a63 n PRO 124 Ca 0.04 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1a63 n PRO 124 Cb 0.54 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.86 0.00 0.00 0.54 4.07 -1.26 -5.05 120.64 120.79 1a63 n GLU 125 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1a63 n GLU 125 Cb 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.74 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 -3.27 4.31 5.03 -1.26 -5.04 115.26 115.02 1a63 n ASN 126 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1a63 n ASN 126 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a63 s ALA 127 N 0.00 0.40 0.00 5.41 0.00 -1.26 -5.06 121.76 121.25 1a63 s ALA 127 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1a63 s ALA 127 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.18 1a63 s ALA 127 CO 0.00 -0.83 0.00 2.89 0.00 0.00 0.00 175.76 177.82 1a63 n ARG 128 N -0.54 0.00 -2.12 0.00 1.85 -1.26 -5.15 116.66 109.44 1a63 n ARG 128 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.55 1a63 n ARG 128 Cb 0.61 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 32.06 1a63 n ARG 128 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1a63 s ASN 129 N 0.00 5.66 0.00 2.89 0.01 -1.26 -5.36 114.94 116.88 1a63 s ASN 129 Ca 0.00 1.01 0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1a63 s ASN 129 Cb 0.00 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.71 1a63 s ASN 129 CO 0.00 -1.12 0.15 0.29 -1.51 0.00 0.00 177.10 174.91