#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p49 s THR 3 N 0.00 3.71 0.22 6.31 -4.23 -1.26 -4.86 115.64 115.52 2p49 s THR 3 Ca 0.00 0.55 -0.09 0.00 -1.18 0.00 0.00 61.69 60.98 2p49 s THR 3 Cb 0.00 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.79 2p49 s THR 3 CO 0.00 -0.72 1.89 0.00 -0.54 0.00 0.00 174.62 175.24 2p49 h ALA 4 N -0.88 1.05 -0.55 3.99 0.00 -1.97 -1.11 119.26 119.79 2p49 h ALA 4 Ca -0.44 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2p49 h ALA 4 Cb 1.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2p49 h ALA 4 CO 0.56 0.43 0.11 0.00 0.00 0.00 0.00 179.25 180.35 2p49 h ALA 5 N 1.31 0.73 -0.35 0.00 0.00 -1.91 -2.10 119.26 116.94 2p49 h ALA 5 Ca 0.31 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2p49 h ALA 5 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2p49 h ALA 5 CO -0.08 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.41 2p49 h ALA 6 N 1.00 0.98 -0.89 0.00 0.00 -1.80 -2.51 119.26 116.04 2p49 h ALA 6 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2p49 h ALA 6 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2p49 h ALA 6 CO 0.01 0.60 0.49 -0.22 0.00 0.00 0.00 179.25 180.12 2p49 h LYS 7 N 0.60 1.24 -0.57 0.00 3.64 -0.98 -0.44 116.57 120.06 2p49 h LYS 7 Ca 0.09 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2p49 h LYS 7 Cb 0.68 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2p49 h LYS 7 CO 0.05 0.91 0.30 0.35 -2.27 0.00 0.00 179.45 178.78 2p49 h PHE 8 N 1.24 0.79 -0.52 1.91 3.57 -1.16 -0.45 116.94 122.33 2p49 h PHE 8 Ca 0.31 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2p49 h PHE 8 Cb 0.03 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2p49 h PHE 8 CO 0.01 0.59 0.15 0.93 -2.23 0.00 0.00 178.31 177.76 2p49 h GLU 9 N 0.77 0.81 -0.66 1.11 5.08 -0.98 -0.15 114.58 120.55 2p49 h GLU 9 Ca 0.20 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2p49 h GLU 9 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2p49 h GLU 9 CO -0.03 0.76 0.30 -0.09 -1.00 0.00 0.00 179.01 178.95 2p49 h ARG 10 N 0.71 0.97 0.00 2.33 2.43 -0.83 -1.55 114.38 118.44 2p49 h ARG 10 Ca 0.17 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 2p49 h ARG 10 Cb 0.29 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2p49 h ARG 10 CO -0.00 0.78 -0.82 1.96 -1.51 0.00 0.00 179.97 180.38 2p49 h GLN 11 N 0.93 0.00 0.00 0.20 4.20 -0.90 -3.42 115.11 116.12 2p49 h GLN 11 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2p49 h GLN 11 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2p49 h GLN 11 CO -0.03 0.64 -0.05 0.72 -0.67 0.00 0.00 178.83 179.44 2p49 n HIS 12 N -3.22 0.00 -3.83 2.96 8.25 -0.09 -4.72 115.22 114.58 2p49 n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2p49 n HIS 12 Cb 0.83 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.85 2p49 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2p49 s MET 13 N -0.41 4.08 -0.42 -0.41 -1.94 -0.59 -0.27 119.30 119.35 2p49 s MET 13 Ca 0.00 -0.25 0.07 0.00 -1.71 0.00 0.00 55.69 53.79 2p49 s MET 13 Cb 0.00 -3.34 0.23 0.00 2.01 0.00 0.00 34.83 33.73 2p49 s MET 13 CO 0.00 0.32 0.56 -3.47 -0.01 0.00 0.00 175.02 172.42 2p49 n ASP 14 N 3.44 -0.64 0.22 3.03 2.03 -0.63 -4.86 116.55 119.14 2p49 n ASP 14 Ca -0.16 -2.76 0.10 0.00 0.52 0.00 0.00 54.79 52.49 2p49 n ASP 14 Cb 0.52 -0.09 0.38 0.00 -0.72 0.00 0.00 41.12 41.21 2p49 n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2p49 h SER 15 N 4.31 0.00 1.18 1.67 0.02 -1.72 -3.25 113.55 115.75 2p49 h SER 15 Ca 0.06 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 2p49 h SER 15 Cb 0.92 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2p49 h SER 15 CO 0.40 0.21 -0.74 0.77 -1.14 0.00 0.00 176.83 176.34 2p49 h SER 16 N 0.00 0.00 -1.23 3.07 4.64 -1.92 -3.43 113.55 114.68 2p49 h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2p49 h SER 16 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2p49 h SER 16 CO 0.03 0.74 0.00 0.41 -0.87 0.00 0.00 176.83 177.13 2p49 n THR 17 N -3.33 0.00 0.00 2.95 -1.04 -1.23 -5.16 114.28 106.47 2p49 n THR 17 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2p49 n THR 17 Cb 0.81 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2p49 n THR 17 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2p49 n SER 22 N -1.43 0.00 0.01 8.00 2.88 -1.26 -4.79 113.62 117.03 2p49 n SER 22 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2p49 n SER 22 Cb 0.00 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.04 2p49 n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2p49 n SER 23 N 0.00 0.08 -0.57 -3.46 3.41 -1.26 -1.69 113.62 110.14 2p49 n SER 23 Ca 0.00 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 2p49 n SER 23 Cb 0.00 -0.53 0.43 0.00 -0.26 0.00 0.00 64.21 63.85 2p49 n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2p49 n ASN 24 N -1.58 1.78 -0.15 4.04 5.15 -1.26 -4.36 115.26 118.88 2p49 n ASN 24 Ca 0.07 -1.58 -0.03 0.00 -0.60 0.00 0.00 54.58 52.44 2p49 n ASN 24 Cb 0.34 0.01 0.03 0.00 -0.53 0.00 0.00 39.78 39.63 2p49 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2p49 h TYR 25 N 2.77 -0.28 -0.52 1.20 5.03 -1.73 -1.86 116.97 121.59 2p49 h TYR 25 Ca 0.00 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.25 2p49 h TYR 25 Cb 0.60 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 2p49 h TYR 25 CO 0.00 -0.21 -0.09 0.00 -1.32 0.00 0.00 178.16 176.54 2p49 h ASN 27 N 0.85 0.73 -0.06 0.00 2.35 -1.60 0.04 115.58 117.89 2p49 h ASN 27 Ca 0.14 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2p49 h ASN 27 Cb 0.62 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2p49 h ASN 27 CO 0.04 0.54 0.01 -0.61 -1.65 0.00 0.00 177.43 175.76 2p49 h GLN 28 N 0.86 0.11 0.03 0.81 4.15 -1.01 -3.26 115.11 116.79 2p49 h GLN 28 Ca 0.23 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.37 2p49 h GLN 28 Cb -0.09 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.60 2p49 h GLN 28 CO -0.05 0.33 -1.04 0.52 -1.93 0.00 0.00 178.83 176.66 2p49 h MET 29 N -0.14 0.53 -0.77 1.69 2.86 -0.78 -1.90 114.93 116.42 2p49 h MET 29 Ca 0.02 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 2p49 h MET 29 Cb 0.28 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2p49 h MET 29 CO 0.00 1.23 0.48 0.52 1.06 0.00 0.00 176.91 180.21 2p49 h MET 30 N 0.28 1.03 -0.00 1.72 2.86 -1.11 -1.61 114.93 118.10 2p49 h MET 30 Ca -0.12 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2p49 h MET 30 Cb 1.70 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 2p49 h MET 30 CO 0.19 0.71 -0.00 0.87 1.06 0.00 0.00 176.91 179.73 2p49 h LYS 31 N 1.06 0.01 -0.06 1.72 1.57 -1.59 -0.36 116.57 118.92 2p49 h LYS 31 Ca 0.28 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2p49 h LYS 31 Cb -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2p49 h LYS 31 CO -0.06 0.53 -0.19 0.77 -0.57 0.00 0.00 179.45 179.94 2p49 h SER 32 N -0.51 0.08 -0.47 0.86 0.02 -1.09 -1.90 113.55 110.54 2p49 h SER 32 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2p49 h SER 32 Cb 0.53 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2p49 h SER 32 CO 0.00 0.28 0.00 0.54 -1.14 0.00 0.00 176.83 176.51 2p49 n ARG 33 N -4.28 2.10 -1.78 3.45 5.12 -0.63 -4.92 116.66 115.72 2p49 n ARG 33 Ca -0.02 -1.69 -0.07 0.00 -1.93 0.00 0.00 57.85 54.14 2p49 n ARG 33 Cb 0.27 -1.37 -0.01 0.00 -1.16 0.00 0.00 32.46 30.19 2p49 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2p49 n ASN 34 N 0.87 -3.09 -0.87 0.55 3.02 -0.71 -4.83 115.26 110.20 2p49 n ASN 34 Ca 0.16 0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.87 2p49 n ASN 34 Cb 0.40 -1.97 0.28 0.00 -0.61 0.00 0.00 39.78 37.88 2p49 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2p49 n LEU 35 N -0.92 2.60 -0.13 3.41 4.77 -0.15 -3.39 117.00 123.18 2p49 n LEU 35 Ca -0.08 -1.14 0.01 0.00 -0.03 0.00 0.00 56.01 54.77 2p49 n LEU 35 Cb 0.44 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2p49 n LEU 35 CO 0.10 0.57 0.45 0.35 -1.33 0.00 0.00 177.39 177.53 2p49 n THR 36 N 0.93 0.68 0.16 -5.08 -2.24 -1.20 -1.99 114.28 105.54 2p49 n THR 36 Ca 0.18 -0.84 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 2p49 n THR 36 Cb 0.46 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.29 2p49 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2p49 h LYS 37 N 0.48 -0.43 0.00 -0.78 3.64 -1.89 -3.37 116.57 114.23 2p49 h LYS 37 Ca 0.00 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 2p49 h LYS 37 Cb 0.41 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2p49 h LYS 37 CO 0.00 -0.10 -1.82 -0.25 -2.27 0.00 0.00 179.45 175.00 2p49 n ASP 38 N -5.12 0.30 -3.79 4.20 8.00 -1.26 -4.99 116.55 113.89 2p49 n ASP 38 Ca -0.09 0.13 -0.07 0.00 0.71 0.00 0.00 54.79 55.46 2p49 n ASP 38 Cb 0.27 1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 42.52 2p49 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p49 s ARG 39 N -3.14 1.63 -0.49 -1.24 1.70 -1.26 -5.10 118.95 111.05 2p49 s ARG 39 Ca -0.06 -0.87 -0.26 0.00 -0.47 0.00 0.00 55.73 54.06 2p49 s ARG 39 Cb 0.10 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 35.09 2p49 s ARG 39 CO 0.85 -0.74 1.01 0.00 -1.08 0.00 0.00 175.30 175.34 2p49 s LYS 41 N 4.08 4.15 0.17 0.00 2.20 -0.84 -4.87 119.74 124.62 2p49 s LYS 41 Ca 0.40 2.55 -0.10 0.00 -0.36 0.00 0.00 55.97 58.46 2p49 s LYS 41 Cb -0.09 -4.02 0.03 0.00 -1.51 0.00 0.00 37.83 32.24 2p49 s LYS 41 CO 0.27 -0.91 1.58 -1.35 -0.36 0.00 0.00 175.35 174.57 2p49 h PRO 42 N 10.01 1.02 -3.99 4.03 0.11 -1.94 -3.45 132.00 137.80 2p49 h PRO 42 Ca -0.47 -0.40 -0.29 0.00 0.11 0.00 0.00 66.00 64.95 2p49 h PRO 42 Cb 1.23 -0.05 -0.29 0.00 0.11 0.00 0.00 31.00 31.99 2p49 h PRO 42 CO 0.94 1.09 -0.74 0.08 -0.21 0.00 0.00 178.00 179.16 2p49 s VAL 43 N -4.78 0.21 -0.21 3.15 1.01 -1.26 -1.66 120.40 116.86 2p49 s VAL 43 Ca -0.11 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2p49 s VAL 43 Cb 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.37 2p49 s VAL 43 CO 0.87 0.07 0.53 0.21 0.00 0.00 0.00 175.10 176.78 2p49 s ASN 44 N 0.09 -0.63 -0.09 3.32 2.47 -0.30 -5.01 114.94 114.79 2p49 s ASN 44 Ca -0.01 1.12 -0.02 0.00 0.42 0.00 0.00 52.86 54.38 2p49 s ASN 44 Cb -0.03 1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 40.81 2p49 s ASN 44 CO -0.00 -0.20 -0.01 -0.89 -3.72 0.00 0.00 177.10 172.28 2p49 s THR 45 N 0.88 4.21 -0.07 -5.21 2.01 -1.26 -1.41 115.64 114.80 2p49 s THR 45 Ca -0.05 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2p49 s THR 45 Cb -0.05 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 2p49 s THR 45 CO -0.07 0.59 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.03 2p49 s PHE 46 N -0.69 2.98 -0.18 4.92 0.08 -0.22 -4.40 117.98 120.47 2p49 s PHE 46 Ca 0.11 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.18 2p49 s PHE 46 Cb -0.12 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2p49 s PHE 46 CO 0.02 0.36 -0.06 0.08 -0.10 0.00 0.00 175.22 175.52 2p49 s VAL 47 N -0.83 3.50 -0.97 -0.44 1.01 0.63 -0.83 120.40 122.46 2p49 s VAL 47 Ca 0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2p49 s VAL 47 Cb -0.11 -2.54 0.32 0.00 0.00 0.00 0.00 36.38 34.04 2p49 s VAL 47 CO 0.02 0.47 1.57 1.41 0.00 0.00 0.00 175.10 178.57 2p49 n HIS 48 N 4.05 2.82 -4.23 5.22 -0.00 -0.07 -1.61 115.22 121.41 2p49 n HIS 48 Ca -0.18 -2.82 -0.13 0.00 -0.00 0.00 0.00 57.72 54.59 2p49 n HIS 48 Cb 0.52 -1.09 -0.10 0.00 -0.00 0.00 0.00 29.99 29.31 2p49 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2p49 s GLU 49 N -3.71 1.11 0.68 -0.41 0.41 -1.26 -4.55 118.70 110.97 2p49 s GLU 49 Ca 0.38 -1.55 -0.16 0.00 -0.41 0.00 0.00 54.97 53.23 2p49 s GLU 49 Cb 0.16 -0.11 0.01 0.00 -1.78 0.00 0.00 34.13 32.41 2p49 s GLU 49 CO -0.06 -0.20 1.18 -1.54 -0.49 0.00 0.00 175.26 174.15 2p49 s SER 50 N -3.16 4.69 0.25 -0.19 1.04 -1.26 -4.15 113.70 110.91 2p49 s SER 50 Ca 0.27 2.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.90 2p49 s SER 50 Cb 0.07 -2.58 0.27 0.00 0.10 0.00 0.00 66.02 63.87 2p49 s SER 50 CO 0.05 -1.92 1.92 0.25 0.98 0.00 0.00 173.24 174.52 2p49 h LEU 51 N 0.07 1.11 -0.55 2.42 5.85 -1.97 -1.59 115.31 120.66 2p49 h LEU 51 Ca -0.48 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.24 2p49 h LEU 51 Cb 1.28 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2p49 h LEU 51 CO 0.52 0.79 0.33 0.00 -0.34 0.00 0.00 178.44 179.74 2p49 h ALA 52 N 1.37 0.71 -0.45 1.25 0.00 -1.99 0.81 119.26 120.96 2p49 h ALA 52 Ca 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2p49 h ALA 52 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2p49 h ALA 52 CO -0.09 0.05 -0.03 -0.44 0.00 0.00 0.00 179.25 178.74 2p49 h ASP 53 N 0.66 0.73 -0.09 0.00 5.19 -1.78 -1.35 116.42 119.77 2p49 h ASP 53 Ca 0.22 -0.18 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 2p49 h ASP 53 Cb 0.02 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.35 2p49 h ASP 53 CO -0.10 0.81 -0.55 0.58 -3.12 0.00 0.00 179.24 176.87 2p49 h VAL 54 N 0.70 1.36 -0.40 -1.35 2.07 -0.92 -3.15 116.25 114.56 2p49 h VAL 54 Ca 0.13 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 2p49 h VAL 54 Cb 0.47 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2p49 h VAL 54 CO 0.02 0.56 0.23 1.56 0.02 0.00 0.00 177.57 179.97 2p49 h GLN 55 N 0.14 0.53 0.00 1.57 4.20 -0.75 -1.84 115.11 118.96 2p49 h GLN 55 Ca -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2p49 h GLN 55 Cb 1.20 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2p49 h GLN 55 CO 0.11 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 178.65 2p49 h ALA 56 N 1.71 1.00 0.00 3.87 0.00 -1.20 -2.33 119.26 122.31 2p49 h ALA 56 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2p49 h ALA 56 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2p49 h ALA 56 CO -0.03 0.00 -0.11 0.28 0.00 0.00 0.00 179.25 179.40 2p49 h VAL 57 N 0.00 0.68 0.00 0.00 2.07 -1.37 -1.23 116.25 116.40 2p49 h VAL 57 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2p49 h VAL 57 Cb 0.11 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2p49 h VAL 57 CO 0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2p49 n SER 59 N -1.54 3.45 0.00 0.00 3.41 -0.46 -4.99 113.62 113.48 2p49 n SER 59 Ca 0.02 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 2p49 n SER 59 Cb 0.12 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2p49 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p49 n GLN 60 N -0.16 2.61 -2.83 4.33 6.02 -0.07 -4.99 117.38 122.28 2p49 n GLN 60 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 2p49 n GLN 60 Cb 0.70 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.92 2p49 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2p49 s LYS 61 N 4.41 3.96 -0.00 -1.09 2.20 -1.02 -4.85 119.74 123.35 2p49 s LYS 61 Ca 0.00 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2p49 s LYS 61 Cb 0.00 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 2p49 s LYS 61 CO 0.00 -0.80 1.59 1.21 -0.36 0.00 0.00 175.35 176.99 2p49 s ASN 62 N 1.68 6.69 0.14 1.43 3.04 -1.26 -0.72 114.94 125.94 2p49 s ASN 62 Ca 0.37 2.28 0.00 0.00 0.04 0.00 0.00 52.86 55.56 2p49 s ASN 62 Cb -0.13 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 2p49 s ASN 62 CO 0.15 -0.86 0.02 0.68 -3.04 0.00 0.00 177.10 174.04 2p49 s VAL 63 N 3.17 0.37 0.33 -5.21 -7.23 0.06 -4.94 120.40 106.96 2p49 s VAL 63 Ca 0.71 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 58.67 2p49 s VAL 63 Cb -0.35 -2.00 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 2p49 s VAL 63 CO 0.29 -0.55 1.18 0.00 -0.31 0.00 0.00 175.10 175.72 2p49 s ALA 64 N -3.86 3.38 0.70 1.32 0.00 -1.26 -2.98 121.76 119.06 2p49 s ALA 64 Ca 0.22 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 2p49 s ALA 64 Cb 0.07 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2p49 s ALA 64 CO 0.01 -0.40 1.08 0.00 0.00 0.00 0.00 175.76 176.44 2p49 h LYS 66 N -0.62 0.00 -0.00 0.00 2.10 -1.90 -1.79 116.57 114.36 2p49 h LYS 66 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2p49 h LYS 66 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2p49 h LYS 66 CO 0.55 0.06 -0.22 0.27 -2.00 0.00 0.00 179.45 178.10 2p49 n ASN 67 N -3.45 0.40 0.00 7.07 6.94 -1.26 -4.92 115.26 120.04 2p49 n ASN 67 Ca -0.02 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.33 2p49 n ASN 67 Cb 0.18 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 2p49 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p49 n GLY 68 N 1.41 1.42 3.68 4.83 0.00 -0.67 -5.10 105.19 110.76 2p49 n GLY 68 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2p49 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p49 s GLN 69 N -0.69 1.19 -0.05 1.61 -0.21 -1.26 -4.74 119.66 115.50 2p49 s GLN 69 Ca 0.00 1.59 0.07 0.00 0.02 0.00 0.00 55.36 57.04 2p49 s GLN 69 Cb 0.00 -1.74 0.11 0.00 1.00 0.00 0.00 33.01 32.38 2p49 s GLN 69 CO 0.00 -2.52 1.03 0.25 -2.12 0.00 0.00 175.29 171.93 2p49 n THR 70 N -4.00 1.24 -1.35 -0.19 -2.24 -1.26 -0.02 114.28 106.45 2p49 n THR 70 Ca 0.12 -1.38 -0.31 0.00 -2.27 0.00 0.00 64.05 60.21 2p49 n THR 70 Cb 0.52 0.25 0.10 0.00 -2.10 0.00 0.00 70.33 69.10 2p49 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2p49 n ASN 71 N -0.80 6.58 -4.95 3.42 6.94 -1.26 -4.68 115.26 120.50 2p49 n ASN 71 Ca 0.06 -3.75 -0.25 0.00 -0.02 0.00 0.00 54.58 50.62 2p49 n ASN 71 Cb 0.42 -0.90 -0.03 0.00 -2.36 0.00 0.00 39.78 36.91 2p49 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2p49 s TYR 73 N -1.81 0.07 -0.14 0.00 1.51 0.27 -0.76 117.35 116.49 2p49 s TYR 73 Ca 0.34 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.45 2p49 s TYR 73 Cb -0.10 -0.22 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 2p49 s TYR 73 CO 0.29 -0.08 0.01 -1.14 -1.11 0.00 0.00 175.55 173.52 2p49 s GLN 74 N 0.85 3.57 0.20 -0.62 0.74 0.10 -1.28 119.66 123.23 2p49 s GLN 74 Ca -0.07 -0.42 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 2p49 s GLN 74 Cb -0.11 -2.98 -0.08 0.00 1.10 0.00 0.00 33.01 30.94 2p49 s GLN 74 CO -0.02 0.40 1.26 -1.54 -0.55 0.00 0.00 175.29 174.84 2p49 s SER 75 N -0.03 6.97 0.17 6.67 1.04 -0.24 -2.43 113.70 125.86 2p49 s SER 75 Ca 0.04 2.34 -0.11 0.00 0.48 0.00 0.00 55.95 58.69 2p49 s SER 75 Cb -0.13 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.46 2p49 s SER 75 CO 0.02 -0.46 1.70 1.88 0.98 0.00 0.00 173.24 177.36 2p49 h TYR 76 N 5.24 0.98 -3.46 5.02 0.05 -1.96 -3.43 116.97 119.42 2p49 h TYR 76 Ca -0.45 -0.10 -0.53 0.00 0.05 0.00 0.00 58.73 57.70 2p49 h TYR 76 Cb 1.21 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 2p49 h TYR 76 CO 0.62 0.82 -0.09 0.45 -1.05 0.00 0.00 178.16 178.91 2p49 s SER 77 N -6.23 6.62 0.75 3.88 0.15 -1.26 -5.04 113.70 112.57 2p49 s SER 77 Ca -0.13 0.95 -0.12 0.00 0.70 0.00 0.00 55.95 57.35 2p49 s SER 77 Cb 0.13 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.25 2p49 s SER 77 CO 0.81 -0.11 1.11 0.42 1.20 0.00 0.00 173.24 176.68 2p49 s THR 78 N -1.87 3.09 0.10 6.45 -4.23 -1.26 -4.54 115.64 113.37 2p49 s THR 78 Ca 0.48 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 2p49 s THR 78 Cb -0.11 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 2p49 s THR 78 CO 0.22 -0.41 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.70 2p49 s MET 79 N -4.58 0.94 -0.24 3.99 -1.94 0.37 -4.84 119.30 113.00 2p49 s MET 79 Ca 0.64 -1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 2p49 s MET 79 Cb -0.20 -0.90 -0.02 0.00 2.01 0.00 0.00 34.83 35.72 2p49 s MET 79 CO 0.51 0.19 1.54 -1.12 -0.01 0.00 0.00 175.02 176.13 2p49 s SER 80 N -2.12 6.45 0.23 3.03 0.01 -1.26 -2.21 113.70 117.83 2p49 s SER 80 Ca 0.04 1.53 0.03 0.00 1.31 0.00 0.00 55.95 58.86 2p49 s SER 80 Cb -0.07 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2p49 s SER 80 CO 0.03 -1.22 -0.00 0.27 0.41 0.00 0.00 173.24 172.73 2p49 s ILE 81 N 5.00 1.03 -0.10 1.44 -4.36 -0.62 -0.89 121.20 122.70 2p49 s ILE 81 Ca 0.68 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2p49 s ILE 81 Cb -0.23 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.16 2p49 s ILE 81 CO 0.28 -0.32 -0.05 -0.89 0.24 0.00 0.00 174.94 174.20 2p49 s THR 82 N -3.43 0.77 -0.09 8.37 2.01 -0.01 -1.41 115.64 121.85 2p49 s THR 82 Ca 0.29 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 2p49 s THR 82 Cb 0.06 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 2p49 s THR 82 CO 0.09 0.33 0.61 -1.81 -0.69 0.00 0.00 174.62 173.14 2p49 s ASP 83 N 1.81 6.85 -0.17 3.53 1.01 -0.04 -1.05 116.67 128.61 2p49 s ASP 83 Ca 0.05 1.03 -0.01 0.00 0.71 0.00 0.00 52.55 54.33 2p49 s ASP 83 Cb -0.12 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 2p49 s ASP 83 CO -0.07 -0.07 -0.13 0.00 0.21 0.00 0.00 175.17 175.11 2p49 s ARG 85 N 0.98 0.53 0.55 0.00 3.52 -0.94 -1.15 118.95 122.44 2p49 s ARG 85 Ca -0.02 -0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.22 2p49 s ARG 85 Cb -0.15 -0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 32.65 2p49 s ARG 85 CO -0.02 0.04 1.36 -1.21 -0.81 0.00 0.00 175.30 174.66 2p49 s GLU 86 N 0.27 3.14 0.75 5.12 2.02 -0.66 -0.56 118.70 128.78 2p49 s GLU 86 Ca -0.03 2.25 -0.10 0.00 0.02 0.00 0.00 54.97 57.11 2p49 s GLU 86 Cb -0.07 -2.26 0.06 0.00 0.10 0.00 0.00 34.13 31.96 2p49 s GLU 86 CO -0.00 -1.20 1.11 0.95 0.02 0.00 0.00 175.26 176.14 2p49 s THR 87 N -1.30 2.53 0.48 3.63 -4.23 -0.62 -4.70 115.64 111.44 2p49 s THR 87 Ca 0.72 0.06 0.13 0.00 -1.18 0.00 0.00 61.69 61.41 2p49 s THR 87 Cb -0.41 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.54 2p49 s THR 87 CO 0.48 -0.18 2.10 1.23 -0.54 0.00 0.00 174.62 177.71 2p49 h GLY 88 N -0.80 0.17 1.27 3.99 0.00 -1.95 -2.81 103.07 102.94 2p49 h GLY 88 Ca -0.45 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2p49 h GLY 88 CO 0.64 0.07 -0.90 1.76 0.00 0.00 0.00 176.54 178.11 2p49 h SER 89 N 0.16 0.00 -1.55 0.19 0.02 -1.94 -3.47 113.55 106.97 2p49 h SER 89 Ca 0.04 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.29 2p49 h SER 89 Cb 0.03 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.62 2p49 h SER 89 CO -0.01 0.21 0.42 -0.24 -1.14 0.00 0.00 176.83 176.08 2p49 n SER 90 N -2.86 1.42 -3.65 3.07 2.88 -1.06 -4.97 113.62 108.44 2p49 n SER 90 Ca -0.02 1.12 -0.05 0.00 -1.33 0.00 0.00 58.87 58.60 2p49 n SER 90 Cb 0.64 -1.14 -0.07 0.00 -0.75 0.00 0.00 64.21 62.90 2p49 n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2p49 s LYS 91 N 0.66 0.48 -0.06 -1.46 2.20 -1.04 -4.92 119.74 115.59 2p49 s LYS 91 Ca 0.87 1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 57.44 2p49 s LYS 91 Cb -1.02 0.60 -0.08 0.00 -1.51 0.00 0.00 37.83 35.82 2p49 s LYS 91 CO 0.50 -0.22 2.05 0.98 -0.36 0.00 0.00 175.35 178.30 2p49 n TYR 92 N 5.34 2.31 0.37 4.03 9.36 -1.26 -0.36 117.16 136.94 2p49 n TYR 92 Ca -0.11 -0.25 0.04 0.00 3.32 0.00 0.00 57.90 60.90 2p49 n TYR 92 Cb 0.50 -2.76 0.01 0.00 -0.63 0.00 0.00 39.34 36.46 2p49 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2p49 n PRO 93 N 7.82 1.37 -3.05 2.98 -0.05 -1.26 -4.99 135.00 137.83 2p49 n PRO 93 Ca 0.24 -0.75 -0.41 0.00 -0.05 0.00 0.00 63.50 62.53 2p49 n PRO 93 Cb 0.40 -1.09 0.00 0.00 -0.05 0.00 0.00 33.50 32.77 2p49 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 2p49 n ASN 94 N 0.04 6.18 -4.78 3.54 3.02 0.51 -5.02 115.26 118.74 2p49 n ASN 94 Ca 0.04 -3.42 -0.37 0.00 -0.03 0.00 0.00 54.58 50.81 2p49 n ASN 94 Cb 0.19 -1.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 2p49 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p49 s ALA 96 N -1.63 -0.63 0.02 0.00 0.00 -1.26 -4.93 121.76 113.34 2p49 s ALA 96 Ca 0.59 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.08 2p49 s ALA 96 Cb -0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 2p49 s ALA 96 CO 0.29 -0.17 -0.09 0.71 0.00 0.00 0.00 175.76 176.51 2p49 s TYR 97 N -0.45 0.76 -0.10 0.00 2.02 -1.26 -1.58 117.35 116.73 2p49 s TYR 97 Ca -0.06 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.22 2p49 s TYR 97 Cb -0.04 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 41.02 2p49 s TYR 97 CO 0.01 -0.03 0.24 0.21 -1.57 0.00 0.00 175.55 174.41 2p49 s LYS 98 N -0.95 3.75 -0.20 -0.62 2.20 0.28 -4.56 119.74 119.64 2p49 s LYS 98 Ca -0.03 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 55.54 2p49 s LYS 98 Cb -0.07 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 2p49 s LYS 98 CO 0.00 0.64 0.11 0.99 -0.36 0.00 0.00 175.35 176.74 2p49 s THR 99 N -0.73 5.20 -0.10 3.43 2.01 -1.26 -2.21 115.64 121.99 2p49 s THR 99 Ca 0.17 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 2p49 s THR 99 Cb -0.13 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2p49 s THR 99 CO 0.06 0.44 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.51 2p49 s THR 100 N 0.42 0.69 0.36 -0.82 2.01 -0.52 -4.97 115.64 112.81 2p49 s THR 100 Ca 0.06 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 2p49 s THR 100 Cb -0.12 -0.80 -0.10 0.00 0.01 0.00 0.00 72.50 71.49 2p49 s THR 100 CO -0.01 0.28 0.97 -1.10 -0.69 0.00 0.00 174.62 174.08 2p49 s GLN 101 N 1.84 4.41 0.17 4.92 -1.52 -1.26 -0.86 119.66 127.36 2p49 s GLN 101 Ca 0.05 1.33 -0.14 0.00 -1.95 0.00 0.00 55.36 54.64 2p49 s GLN 101 Cb -0.13 -2.61 0.02 0.00 -0.22 0.00 0.00 33.01 30.07 2p49 s GLN 101 CO -0.07 0.12 0.42 0.00 -0.25 0.00 0.00 175.29 175.50 2p49 s ALA 102 N -1.75 -0.61 -0.30 6.09 0.00 -0.50 -4.94 121.76 119.75 2p49 s ALA 102 Ca 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2p49 s ALA 102 Cb -0.17 0.81 0.09 0.00 0.00 0.00 0.00 23.12 23.85 2p49 s ALA 102 CO 0.22 -0.72 0.06 -0.80 0.00 0.00 0.00 175.76 174.53 2p49 s ASN 103 N -2.89 4.11 0.07 0.00 -0.87 -1.26 -1.59 114.94 112.51 2p49 s ASN 103 Ca 0.10 -1.65 -0.02 0.00 -1.57 0.00 0.00 52.86 49.73 2p49 s ASN 103 Cb 0.01 -1.06 -0.04 0.00 -0.02 0.00 0.00 41.25 40.14 2p49 s ASN 103 CO -0.04 -0.38 0.00 -0.54 -2.57 0.00 0.00 177.10 173.58 2p49 s LYS 104 N 1.44 0.69 0.08 -0.60 1.02 -0.94 -4.78 119.74 116.65 2p49 s LYS 104 Ca 0.07 -1.24 -0.31 0.00 0.02 0.00 0.00 55.97 54.52 2p49 s LYS 104 Cb -0.18 0.23 -0.07 0.00 -0.52 0.00 0.00 37.83 37.29 2p49 s LYS 104 CO -0.18 -0.15 1.36 -1.01 -0.92 0.00 0.00 175.35 174.45 2p49 s HIS 105 N -3.94 3.18 0.28 3.18 3.76 0.88 -0.48 115.29 122.15 2p49 s HIS 105 Ca 0.10 0.98 -0.14 0.00 -0.15 0.00 0.00 55.06 55.85 2p49 s HIS 105 Cb 0.08 -3.64 -0.08 0.00 1.11 0.00 0.00 32.58 30.05 2p49 s HIS 105 CO -0.08 -2.22 0.67 0.96 -0.85 0.00 0.00 174.74 173.22 2p49 s ILE 106 N 1.39 4.76 -0.12 0.60 -4.36 -1.26 -1.22 121.20 120.98 2p49 s ILE 106 Ca 0.64 0.82 0.01 0.00 -0.26 0.00 0.00 60.65 61.86 2p49 s ILE 106 Cb -0.34 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.75 2p49 s ILE 106 CO 0.29 -0.10 -0.14 -0.63 0.24 0.00 0.00 174.94 174.60 2p49 s ILE 107 N -1.87 1.50 0.10 8.37 1.01 0.16 -1.08 121.20 129.39 2p49 s ILE 107 Ca 0.50 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.61 2p49 s ILE 107 Cb -0.11 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 2p49 s ILE 107 CO 0.19 0.44 -0.19 0.68 0.00 0.00 0.00 174.94 176.06 2p49 s VAL 108 N 1.19 1.60 -0.02 2.92 -7.23 -0.40 -0.49 120.40 117.97 2p49 s VAL 108 Ca -0.02 -1.55 -0.17 0.00 -1.81 0.00 0.00 61.98 58.43 2p49 s VAL 108 Cb -0.14 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 2p49 s VAL 108 CO -0.05 -0.13 0.47 0.00 -0.31 0.00 0.00 175.10 175.08 2p49 s ALA 109 N -1.32 3.59 0.04 1.32 0.00 -0.21 -0.57 121.76 124.62 2p49 s ALA 109 Ca 0.06 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.95 2p49 s ALA 109 Cb -0.09 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2p49 s ALA 109 CO 0.04 0.30 -0.18 0.00 0.00 0.00 0.00 175.76 175.92 2p49 s GLU 111 N -1.41 0.94 0.00 0.00 2.02 -0.62 -4.91 118.70 114.72 2p49 s GLU 111 Ca 0.14 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2p49 s GLU 111 Cb -0.10 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2p49 s GLU 111 CO 0.05 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.42 2p49 n GLY 112 N -0.12 0.74 2.34 -1.39 0.00 -1.26 -2.16 105.19 103.34 2p49 n GLY 112 Ca -0.14 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 2p49 n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2p49 n ASN 113 N 0.00 -0.07 -4.88 1.61 5.15 -1.26 -2.88 115.26 112.92 2p49 n ASN 113 Ca 0.00 -2.53 -0.30 0.00 -0.60 0.00 0.00 54.58 51.15 2p49 n ASN 113 Cb 0.00 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 38.62 2p49 n ASN 113 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2p49 s PRO 114 N -0.45 3.75 -0.43 1.20 0.04 -1.26 -5.12 135.00 132.72 2p49 s PRO 114 Ca 0.34 0.29 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 2p49 s PRO 114 Cb 0.08 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 32.12 2p49 s PRO 114 CO -0.17 0.13 0.82 -0.47 0.04 0.00 0.00 177.00 177.35 2p49 s TYR 115 N -2.14 3.00 0.15 0.56 5.04 -1.14 -4.92 117.35 117.90 2p49 s TYR 115 Ca 0.48 0.30 0.02 0.00 -2.44 0.00 0.00 57.07 55.43 2p49 s TYR 115 Cb -0.11 -3.68 -0.04 0.00 0.35 0.00 0.00 41.96 38.48 2p49 s TYR 115 CO 0.28 -0.96 -0.01 0.14 -1.34 0.00 0.00 175.55 173.66 2p49 s VAL 116 N 3.36 0.65 0.23 3.14 -7.23 -0.92 -4.88 120.40 114.75 2p49 s VAL 116 Ca 0.32 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 2p49 s VAL 116 Cb -0.12 -2.00 -0.11 0.00 0.56 0.00 0.00 36.38 34.72 2p49 s VAL 116 CO 0.22 -0.58 1.57 -2.84 -0.31 0.00 0.00 175.10 173.15 2p49 s PRO 117 N -3.90 4.19 0.00 4.82 0.02 -1.26 -1.59 135.00 137.28 2p49 s PRO 117 Ca 0.21 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2p49 s PRO 117 Cb 0.06 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2p49 s PRO 117 CO 0.01 -0.59 0.20 1.33 -0.33 0.00 0.00 177.00 177.63 2p49 n VAL 118 N 3.05 0.00 -3.68 3.83 0.24 0.03 -4.48 118.33 117.33 2p49 n VAL 118 Ca 0.11 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 2p49 n VAL 118 Cb 0.38 1.17 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 2p49 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2p49 s HIS 119 N -0.30 -0.64 -0.28 6.34 5.65 -1.11 -4.67 115.29 120.28 2p49 s HIS 119 Ca 0.00 1.55 -0.15 0.00 0.25 0.00 0.00 55.06 56.71 2p49 s HIS 119 Cb 0.00 0.23 -0.03 0.00 -1.18 0.00 0.00 32.58 31.60 2p49 s HIS 119 CO 0.00 -0.31 0.39 0.12 -0.65 0.00 0.00 174.74 174.28 2p49 s PHE 120 N 0.38 3.24 -0.25 3.88 2.19 -1.26 -1.05 117.98 125.11 2p49 s PHE 120 Ca -0.01 0.39 -0.13 0.00 0.33 0.00 0.00 56.93 57.51 2p49 s PHE 120 Cb -0.04 -2.60 -0.15 0.00 -1.31 0.00 0.00 43.02 38.92 2p49 s PHE 120 CO -0.00 -0.26 -0.16 -3.47 1.83 0.00 0.00 175.22 173.16 2p49 n ASP 121 N 5.36 1.95 -3.63 6.13 2.03 0.36 -4.95 116.55 123.80 2p49 n ASP 121 Ca -0.08 0.29 -0.03 0.00 0.52 0.00 0.00 54.79 55.50 2p49 n ASP 121 Cb 0.51 -0.81 -0.01 0.00 -0.72 0.00 0.00 41.12 40.08 2p49 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p49 s ALA 122 N -2.48 -1.99 -0.02 -1.67 0.00 -1.03 -4.89 121.76 109.68 2p49 s ALA 122 Ca -0.35 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.44 2p49 s ALA 122 Cb 0.11 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 2p49 s ALA 122 CO 0.55 -0.90 -0.15 -1.12 0.00 0.00 0.00 175.76 174.14 2p49 s SER 123 N -2.72 1.81 0.00 0.00 0.01 -1.26 -0.66 113.70 110.87 2p49 s SER 123 Ca 0.11 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2p49 s SER 123 Cb 0.01 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2p49 s SER 123 CO -0.03 0.16 0.03 1.33 0.41 0.00 0.00 173.24 175.14