#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afl s GLU 2 N 0.00 4.32 0.73 1.64 2.12 -1.26 -5.05 118.70 121.19 1afl s GLU 2 Ca 0.00 1.09 -0.11 0.00 0.36 0.00 0.00 54.97 56.31 1afl s GLU 2 Cb 0.00 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.84 1afl s GLU 2 CO 0.00 -0.34 1.08 0.95 -0.54 0.00 0.00 175.26 176.41 1afl s THR 3 N 2.16 3.68 0.30 -1.70 -4.23 -1.26 -4.87 115.64 109.72 1afl s THR 3 Ca 0.40 0.55 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 1afl s THR 3 Cb -0.17 -3.36 0.13 0.00 1.34 0.00 0.00 72.50 70.44 1afl s THR 3 CO 0.13 -0.71 1.81 0.00 -0.54 0.00 0.00 174.62 175.30 1afl h ALA 4 N -0.80 1.22 -0.55 3.99 0.00 -1.96 -0.74 119.26 120.43 1afl h ALA 4 Ca -0.45 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 1afl h ALA 4 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1afl h ALA 4 CO 0.59 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 180.32 1afl h ALA 5 N 1.38 0.91 -0.36 0.00 0.00 -1.88 -1.79 119.26 117.51 1afl h ALA 5 Ca 0.12 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1afl h ALA 5 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1afl h ALA 5 CO 0.02 0.64 -0.38 0.00 0.00 0.00 0.00 179.25 179.53 1afl h ALA 6 N 1.07 0.64 -0.71 0.00 0.00 -1.81 -2.75 119.26 115.70 1afl h ALA 6 Ca 0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1afl h ALA 6 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1afl h ALA 6 CO 0.03 0.67 0.31 -0.22 0.00 0.00 0.00 179.25 180.04 1afl h LYS 7 N 0.70 1.03 -0.45 0.00 3.64 -1.02 -0.84 116.57 119.64 1afl h LYS 7 Ca 0.06 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1afl h LYS 7 Cb 0.96 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1afl h LYS 7 CO 0.09 0.82 0.26 0.35 -2.27 0.00 0.00 179.45 178.70 1afl h PHE 8 N 1.01 0.61 -0.69 1.91 3.57 -1.12 -1.00 116.94 121.23 1afl h PHE 8 Ca 0.24 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1afl h PHE 8 Cb 0.15 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1afl h PHE 8 CO 0.01 0.44 0.21 0.93 -2.23 0.00 0.00 178.31 177.67 1afl h GLU 9 N 0.60 1.08 -0.28 1.11 5.08 -1.16 0.09 114.58 121.10 1afl h GLU 9 Ca 0.16 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1afl h GLU 9 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1afl h GLU 9 CO -0.03 0.94 0.03 -0.09 -1.00 0.00 0.00 179.01 178.86 1afl h ARG 10 N 1.02 0.47 0.01 2.33 2.43 -0.91 -2.35 114.38 117.38 1afl h ARG 10 Ca 0.22 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 1afl h ARG 10 Cb 0.31 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1afl h ARG 10 CO -0.01 0.60 -0.93 1.96 -1.51 0.00 0.00 179.97 180.08 1afl h GLN 11 N 0.27 0.06 0.00 0.20 4.20 -1.09 -3.41 115.11 115.34 1afl h GLN 11 Ca 0.08 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1afl h GLN 11 Cb 0.37 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1afl h GLN 11 CO 0.01 0.94 -0.14 0.72 -0.67 0.00 0.00 178.83 179.69 1afl n HIS 12 N -3.50 0.00 -3.73 2.96 8.25 0.01 -4.71 115.22 114.50 1afl n HIS 12 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1afl n HIS 12 Cb 0.87 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.89 1afl n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1afl s MET 13 N -0.99 4.16 -0.44 -0.41 -1.94 -0.89 0.15 119.30 118.94 1afl s MET 13 Ca 0.00 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 53.80 1afl s MET 13 Cb 0.00 -3.44 0.20 0.00 2.01 0.00 0.00 34.83 33.60 1afl s MET 13 CO 0.00 0.25 0.52 -3.47 -0.01 0.00 0.00 175.02 172.31 1afl n ASP 14 N 3.68 -1.37 0.22 3.03 2.03 -0.56 -4.85 116.55 118.73 1afl n ASP 14 Ca -0.16 -2.65 0.07 0.00 0.52 0.00 0.00 54.79 52.57 1afl n ASP 14 Cb 0.52 0.25 0.49 0.00 -0.72 0.00 0.00 41.12 41.66 1afl n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1afl h SER 15 N 5.03 0.00 -0.69 1.67 0.02 -1.76 -3.31 113.55 114.51 1afl h SER 15 Ca 0.14 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 1afl h SER 15 Cb 0.97 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.38 1afl h SER 15 CO 0.29 0.26 -0.31 0.77 -1.14 0.00 0.00 176.83 176.71 1afl h SER 16 N 0.00 -1.08 -2.90 3.07 4.64 -1.94 -3.40 113.55 111.93 1afl h SER 16 Ca -0.00 0.24 -0.62 0.00 -0.47 0.00 0.00 61.79 60.93 1afl h SER 16 Cb 0.55 0.58 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1afl h SER 16 CO 0.03 -0.29 -0.40 0.42 -0.87 0.00 0.00 176.83 175.73 1afl s THR 17 N -6.05 5.32 -0.85 2.95 -4.23 -1.24 -4.98 115.64 106.55 1afl s THR 17 Ca -0.14 0.10 0.26 0.00 -1.18 0.00 0.00 61.69 60.72 1afl s THR 17 Cb 0.18 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.55 1afl s THR 17 CO 0.71 0.34 1.53 -1.54 -0.54 0.00 0.00 174.62 175.12 1afl n SER 18 N 1.02 0.50 -3.63 3.99 3.41 -1.26 -4.68 113.62 112.98 1afl n SER 18 Ca -0.11 0.12 -0.07 0.00 -0.26 0.00 0.00 58.87 58.55 1afl n SER 18 Cb 0.53 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1afl n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afl s ALA 19 N -3.07 -2.04 -0.20 7.33 0.00 -1.26 -4.86 121.76 117.67 1afl s ALA 19 Ca 0.10 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 1afl s ALA 19 Cb 0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1afl s ALA 19 CO 0.66 -0.22 1.21 0.00 0.00 0.00 0.00 175.76 177.41 1afl s ALA 20 N -0.30 3.63 -0.16 0.00 0.00 -1.26 -4.89 121.76 118.78 1afl s ALA 20 Ca 0.04 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1afl s ALA 20 Cb -0.03 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 19.32 1afl s ALA 20 CO -0.07 -1.22 -0.05 -1.13 0.00 0.00 0.00 175.76 173.29 1afl n SER 21 N 6.66 2.04 -4.73 0.00 3.41 -1.26 -4.81 113.62 114.94 1afl n SER 21 Ca 0.14 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 1afl n SER 21 Cb 0.45 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1afl n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1afl s SER 22 N -5.24 7.38 0.00 4.04 0.15 -1.26 -4.90 113.70 113.87 1afl s SER 22 Ca -0.16 1.66 0.16 0.00 0.70 0.00 0.00 55.95 58.31 1afl s SER 22 Cb 0.05 -2.55 0.78 0.00 -1.71 0.00 0.00 66.02 62.59 1afl s SER 22 CO 0.50 -0.11 1.49 -1.54 1.20 0.00 0.00 173.24 174.79 1afl n SER 23 N 3.16 0.00 -0.77 5.45 3.41 -1.26 -1.29 113.62 122.32 1afl n SER 23 Ca 0.02 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1afl n SER 23 Cb 0.50 -0.36 0.31 0.00 -0.26 0.00 0.00 64.21 64.39 1afl n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1afl n ASN 24 N -1.36 2.36 -0.01 4.04 5.15 -1.26 -4.49 115.26 119.68 1afl n ASN 24 Ca 0.06 -1.79 -0.10 0.00 -0.60 0.00 0.00 54.58 52.16 1afl n ASN 24 Cb 0.15 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.29 1afl n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1afl h TYR 25 N 3.42 -0.81 -0.69 1.20 5.03 -1.58 -2.56 116.97 120.98 1afl h TYR 25 Ca 0.00 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1afl h TYR 25 Cb 0.74 0.38 -0.03 0.00 1.55 0.00 0.00 36.73 39.37 1afl h TYR 25 CO 0.07 -0.37 0.39 0.00 -1.32 0.00 0.00 178.16 176.93 1afl h ASN 27 N 0.94 0.53 0.35 0.00 2.35 -1.79 0.24 115.58 118.22 1afl h ASN 27 Ca 0.24 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1afl h ASN 27 Cb 0.01 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1afl h ASN 27 CO -0.04 0.34 -0.17 1.56 -1.65 0.00 0.00 177.43 177.46 1afl h GLN 28 N 0.67 -0.46 -0.53 0.81 4.20 -1.07 -3.10 115.11 115.62 1afl h GLN 28 Ca 0.31 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 1afl h GLN 28 Cb 0.23 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1afl h GLN 28 CO -0.20 -0.14 0.33 0.52 -0.67 0.00 0.00 178.83 178.66 1afl h MET 29 N -0.91 0.71 -0.88 1.46 2.86 -0.73 -0.83 114.93 116.61 1afl h MET 29 Ca -0.05 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1afl h MET 29 Cb 0.53 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1afl h MET 29 CO 0.08 0.50 0.57 0.52 1.06 0.00 0.00 176.91 179.64 1afl h MET 30 N 0.71 1.06 0.07 1.72 2.86 -0.63 -1.80 114.93 118.92 1afl h MET 30 Ca 0.19 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1afl h MET 30 Cb -0.03 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.39 1afl h MET 30 CO -0.04 0.70 -0.04 -0.22 1.06 0.00 0.00 176.91 178.38 1afl h LYS 31 N 1.09 -0.10 0.00 1.72 1.63 -1.40 -0.97 116.57 118.54 1afl h LYS 31 Ca 0.35 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1afl h LYS 31 Cb 0.02 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1afl h LYS 31 CO -0.12 0.26 0.00 0.66 -3.45 0.00 0.00 179.45 176.79 1afl h SER 32 N -0.46 0.00 -0.67 4.20 4.64 -0.94 -1.95 113.55 118.37 1afl h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1afl h SER 32 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1afl h SER 32 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 1afl n ARG 33 N -2.38 2.77 -2.43 4.77 5.12 -0.69 -4.94 116.66 118.87 1afl n ARG 33 Ca 0.02 -2.50 -0.17 0.00 -1.93 0.00 0.00 57.85 53.27 1afl n ARG 33 Cb 0.23 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1afl n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1afl n ASN 34 N 1.42 -4.94 -0.74 0.55 5.03 -0.73 -4.85 115.26 110.99 1afl n ASN 34 Ca 0.23 -0.06 0.11 0.00 0.87 0.00 0.00 54.58 55.73 1afl n ASN 34 Cb 0.63 -3.99 0.32 0.00 -1.02 0.00 0.00 39.78 35.72 1afl n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1afl n LEU 35 N -2.55 2.24 -0.13 3.41 4.77 -0.37 -3.73 117.00 120.64 1afl n LEU 35 Ca -0.17 -0.93 0.04 0.00 -0.03 0.00 0.00 56.01 54.92 1afl n LEU 35 Cb 0.64 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1afl n LEU 35 CO 0.26 0.46 0.45 0.35 -1.33 0.00 0.00 177.39 177.58 1afl n THR 36 N 0.71 1.05 0.11 -5.08 -2.24 -1.24 -2.27 114.28 105.31 1afl n THR 36 Ca 0.17 -1.20 -0.06 0.00 -2.27 0.00 0.00 64.05 60.69 1afl n THR 36 Cb 0.42 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1afl n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1afl h LYS 37 N 0.00 -0.33 -0.24 -0.78 3.64 -1.91 -3.34 116.57 113.61 1afl h LYS 37 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1afl h LYS 37 Cb 0.95 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1afl h LYS 37 CO 0.00 -0.22 0.00 -0.25 -2.27 0.00 0.00 179.45 176.71 1afl n ASP 38 N -3.18 2.70 -3.64 4.20 8.00 -1.26 -5.01 116.55 118.36 1afl n ASP 38 Ca -0.04 -1.80 -0.02 0.00 0.71 0.00 0.00 54.79 53.63 1afl n ASP 38 Cb 0.15 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1afl n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1afl s ARG 39 N -1.08 0.04 -0.28 -1.24 1.70 -1.25 -5.12 118.95 111.72 1afl s ARG 39 Ca 0.23 -0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.21 1afl s ARG 39 Cb 0.14 0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1afl s ARG 39 CO 0.19 -0.02 0.97 0.00 -1.08 0.00 0.00 175.30 175.36 1afl s LYS 41 N 3.24 4.22 0.19 0.00 2.20 -0.96 -4.92 119.74 123.71 1afl s LYS 41 Ca 0.41 2.10 -0.12 0.00 -0.36 0.00 0.00 55.97 58.00 1afl s LYS 41 Cb -0.14 -3.77 0.14 0.00 -1.51 0.00 0.00 37.83 32.55 1afl s LYS 41 CO 0.11 -0.73 1.84 -1.35 -0.36 0.00 0.00 175.35 174.85 1afl h PRO 42 N 8.67 0.75 -4.04 4.03 0.11 -1.94 -3.44 132.00 136.15 1afl h PRO 42 Ca -0.38 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.47 1afl h PRO 42 Cb 1.18 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.88 1afl h PRO 42 CO 0.94 0.49 -0.72 0.08 -0.21 0.00 0.00 178.00 178.58 1afl s VAL 43 N -6.13 0.18 -0.25 3.15 1.01 -1.26 -0.85 120.40 116.25 1afl s VAL 43 Ca -0.13 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1afl s VAL 43 Cb 0.14 -0.26 0.09 0.00 0.00 0.00 0.00 36.38 36.35 1afl s VAL 43 CO 0.76 -0.30 0.83 0.21 0.00 0.00 0.00 175.10 176.59 1afl s ASN 44 N -0.99 -0.63 -0.09 3.32 2.47 -0.44 -5.01 114.94 113.56 1afl s ASN 44 Ca -0.09 1.15 0.02 0.00 0.42 0.00 0.00 52.86 54.36 1afl s ASN 44 Cb -0.07 1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 40.86 1afl s ASN 44 CO -0.00 -0.26 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.09 1afl s THR 45 N 0.11 3.02 -0.08 -5.21 2.01 -1.26 -0.40 115.64 113.83 1afl s THR 45 Ca -0.00 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1afl s THR 45 Cb -0.04 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1afl s THR 45 CO -0.00 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 1afl s PHE 46 N -0.14 2.97 -0.14 4.92 0.08 -0.09 -4.39 117.98 121.20 1afl s PHE 46 Ca -0.01 0.00 -0.03 0.00 0.12 0.00 0.00 56.93 57.01 1afl s PHE 46 Cb -0.14 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1afl s PHE 46 CO 0.03 0.30 -0.04 0.08 -0.10 0.00 0.00 175.22 175.49 1afl s VAL 47 N -0.68 3.86 -0.86 -0.44 1.01 0.12 -0.46 120.40 122.95 1afl s VAL 47 Ca 0.10 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1afl s VAL 47 Cb -0.11 -2.67 0.32 0.00 0.00 0.00 0.00 36.38 33.92 1afl s VAL 47 CO 0.02 0.52 1.44 1.41 0.00 0.00 0.00 175.10 178.49 1afl n HIS 48 N 3.24 3.20 -4.24 5.22 -0.00 0.11 -1.50 115.22 121.25 1afl n HIS 48 Ca -0.18 -3.13 -0.13 0.00 -0.00 0.00 0.00 57.72 54.28 1afl n HIS 48 Cb 0.53 -0.93 -0.10 0.00 -0.00 0.00 0.00 29.99 29.48 1afl n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1afl s GLU 49 N -3.80 1.13 0.60 -0.41 0.41 -1.26 -4.58 118.70 110.78 1afl s GLU 49 Ca 0.42 -1.55 -0.18 0.00 -0.41 0.00 0.00 54.97 53.25 1afl s GLU 49 Cb 0.20 -0.20 -0.03 0.00 -1.78 0.00 0.00 34.13 32.32 1afl s GLU 49 CO -0.10 -0.17 1.13 -1.54 -0.49 0.00 0.00 175.26 174.08 1afl s SER 50 N -3.18 5.42 0.35 -0.19 1.04 -1.26 -4.38 113.70 111.51 1afl s SER 50 Ca 0.26 2.12 0.06 0.00 0.48 0.00 0.00 55.95 58.87 1afl s SER 50 Cb 0.06 -2.57 0.73 0.00 0.10 0.00 0.00 66.02 64.34 1afl s SER 50 CO 0.05 -1.42 1.94 0.25 0.98 0.00 0.00 173.24 175.03 1afl h LEU 51 N 0.69 0.69 -0.54 2.42 5.85 -1.99 -1.92 115.31 120.50 1afl h LEU 51 Ca -0.49 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1afl h LEU 51 Cb 1.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1afl h LEU 51 CO 0.56 0.43 0.33 0.00 -0.34 0.00 0.00 178.44 179.42 1afl h ALA 52 N 1.59 0.69 -0.64 1.25 0.00 -1.99 0.09 119.26 120.25 1afl h ALA 52 Ca 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1afl h ALA 52 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1afl h ALA 52 CO -0.13 0.17 0.12 -0.44 0.00 0.00 0.00 179.25 178.97 1afl h ASP 53 N 0.73 0.98 -0.31 0.00 3.32 -1.74 -1.52 116.42 117.88 1afl h ASP 53 Ca 0.20 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 1afl h ASP 53 Cb -0.02 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1afl h ASP 53 CO -0.04 0.97 -0.44 0.58 -1.72 0.00 0.00 179.24 178.60 1afl h VAL 54 N 0.97 1.28 -0.06 -1.35 2.07 -1.13 -3.07 116.25 114.97 1afl h VAL 54 Ca 0.20 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1afl h VAL 54 Cb 0.40 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1afl h VAL 54 CO 0.01 0.53 -0.23 1.56 0.02 0.00 0.00 177.57 179.45 1afl h GLN 55 N 0.63 0.09 0.00 1.57 4.20 -0.82 -1.93 115.11 118.85 1afl h GLN 55 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1afl h GLN 55 Cb 1.03 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1afl h GLN 55 CO 0.10 0.33 -0.06 0.00 -0.67 0.00 0.00 178.83 178.52 1afl h ALA 56 N 1.68 1.35 -0.16 3.87 0.00 -1.18 -2.51 119.26 122.31 1afl h ALA 56 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1afl h ALA 56 Cb 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1afl h ALA 56 CO 0.03 0.08 0.15 0.28 0.00 0.00 0.00 179.25 179.79 1afl h VAL 57 N 0.00 0.59 0.00 0.00 2.07 -1.36 -1.31 116.25 116.23 1afl h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1afl h VAL 57 Cb 0.19 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1afl h VAL 57 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1afl n SER 59 N -1.36 2.37 0.00 0.00 3.41 -0.50 -5.01 113.62 112.53 1afl n SER 59 Ca 0.03 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1afl n SER 59 Cb 0.08 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1afl n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afl n GLN 60 N -1.21 0.54 -2.54 4.33 6.02 -0.27 -5.01 117.38 119.24 1afl n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1afl n GLN 60 Cb 0.58 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.82 1afl n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1afl s LYS 61 N 4.18 3.79 0.03 -1.09 2.20 -1.01 -4.88 119.74 122.95 1afl s LYS 61 Ca 0.00 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 1afl s LYS 61 Cb 0.00 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 1afl s LYS 61 CO 0.00 -1.29 1.11 1.21 -0.36 0.00 0.00 175.35 176.02 1afl s ASN 62 N 2.63 7.19 0.17 1.43 3.04 -1.26 0.07 114.94 128.21 1afl s ASN 62 Ca 0.51 1.86 -0.03 0.00 0.04 0.00 0.00 52.86 55.24 1afl s ASN 62 Cb -0.11 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.00 1afl s ASN 62 CO 0.28 -0.40 0.14 0.68 -3.04 0.00 0.00 177.10 174.76 1afl s VAL 63 N 1.14 0.05 0.48 -5.21 -7.23 -0.44 -4.93 120.40 104.27 1afl s VAL 63 Ca 0.56 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.70 1afl s VAL 63 Cb -0.26 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 1afl s VAL 63 CO 0.28 -0.24 0.97 0.00 -0.31 0.00 0.00 175.10 175.81 1afl s ALA 64 N -4.08 3.05 0.54 1.32 0.00 -1.26 -3.10 121.76 118.24 1afl s ALA 64 Ca 0.29 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 1afl s ALA 64 Cb 0.06 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1afl s ALA 64 CO 0.06 -0.11 0.82 0.00 0.00 0.00 0.00 175.76 176.53 1afl h LYS 66 N 0.02 0.60 -0.06 0.00 1.79 -1.94 0.16 116.57 117.14 1afl h LYS 66 Ca -0.45 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1afl h LYS 66 Cb 1.26 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1afl h LYS 66 CO 0.59 0.40 0.00 0.27 -1.08 0.00 0.00 179.45 179.63 1afl n ASN 67 N -4.51 0.60 0.00 0.86 6.94 -1.26 -4.90 115.26 112.98 1afl n ASN 67 Ca 0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 54.58 53.19 1afl n ASN 67 Cb 0.42 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1afl n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1afl n GLY 68 N 0.92 2.01 3.78 4.83 0.00 0.04 -5.05 105.19 111.71 1afl n GLY 68 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1afl n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afl s GLN 69 N -0.65 2.48 -0.11 1.61 -0.21 -1.26 -4.71 119.66 116.81 1afl s GLN 69 Ca 0.00 1.20 0.15 0.00 0.02 0.00 0.00 55.36 56.73 1afl s GLN 69 Cb 0.00 -1.92 0.49 0.00 1.00 0.00 0.00 33.01 32.57 1afl s GLN 69 CO 0.00 -1.47 1.40 0.25 -2.12 0.00 0.00 175.29 173.35 1afl n THR 70 N -3.18 1.83 -0.85 -0.19 -2.24 -1.26 -0.07 114.28 108.32 1afl n THR 70 Ca 0.09 -1.49 -0.21 0.00 -2.27 0.00 0.00 64.05 60.17 1afl n THR 70 Cb 0.53 0.04 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 1afl n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1afl n ASN 71 N 0.06 5.06 -4.80 3.42 6.94 -1.26 -4.67 115.26 120.00 1afl n ASN 71 Ca 0.19 -3.29 -0.30 0.00 -0.02 0.00 0.00 54.58 51.16 1afl n ASN 71 Cb 0.75 -0.86 -0.06 0.00 -2.36 0.00 0.00 39.78 37.25 1afl n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1afl s TYR 73 N -1.48 0.08 -0.13 0.00 1.51 -0.23 -1.32 117.35 115.77 1afl s TYR 73 Ca 0.30 -0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1afl s TYR 73 Cb -0.12 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1afl s TYR 73 CO 0.23 -0.01 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.51 1afl s GLN 74 N -0.09 3.42 0.34 -0.62 0.74 0.11 -1.59 119.66 121.97 1afl s GLN 74 Ca -0.00 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 1afl s GLN 74 Cb -0.01 -2.89 -0.10 0.00 1.10 0.00 0.00 33.01 31.11 1afl s GLN 74 CO -0.00 0.44 1.32 -1.54 -0.55 0.00 0.00 175.29 174.95 1afl s SER 75 N -0.15 6.73 0.13 6.67 1.04 -0.48 -2.41 113.70 125.23 1afl s SER 75 Ca 0.04 2.72 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 1afl s SER 75 Cb -0.13 -2.65 -0.06 0.00 0.10 0.00 0.00 66.02 63.29 1afl s SER 75 CO 0.02 -0.57 1.46 1.88 0.98 0.00 0.00 173.24 177.01 1afl h TYR 76 N 3.33 1.04 -2.29 5.02 0.05 -1.95 -3.44 116.97 118.74 1afl h TYR 76 Ca -0.49 -0.31 -0.44 0.00 0.05 0.00 0.00 58.73 57.53 1afl h TYR 76 Cb 1.23 -0.22 0.03 0.00 1.01 0.00 0.00 36.73 38.77 1afl h TYR 76 CO 0.55 1.12 -0.17 -1.12 -1.05 0.00 0.00 178.16 177.50 1afl s SER 77 N -6.75 5.73 0.34 3.88 0.01 -1.26 -5.05 113.70 110.61 1afl s SER 77 Ca -0.11 0.01 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 1afl s SER 77 Cb 0.10 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 65.04 1afl s SER 77 CO 0.87 -0.73 0.72 0.42 0.41 0.00 0.00 173.24 174.93 1afl s THR 78 N -2.47 4.76 0.16 1.44 -4.23 -1.26 -4.41 115.64 109.63 1afl s THR 78 Ca 0.50 0.73 0.06 0.00 -1.18 0.00 0.00 61.69 61.80 1afl s THR 78 Cb -0.10 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1afl s THR 78 CO 0.36 -0.30 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.97 1afl s MET 79 N -3.30 1.14 -0.20 3.99 -1.94 0.83 -4.85 119.30 114.98 1afl s MET 79 Ca 0.52 -1.43 -0.29 0.00 -1.71 0.00 0.00 55.69 52.78 1afl s MET 79 Cb -0.10 -0.90 -0.00 0.00 2.01 0.00 0.00 34.83 35.84 1afl s MET 79 CO 0.23 0.15 1.15 0.45 -0.01 0.00 0.00 175.02 176.99 1afl s SER 80 N -2.97 7.02 0.09 3.03 0.15 -1.26 -1.69 113.70 118.06 1afl s SER 80 Ca 0.16 1.52 0.02 0.00 0.70 0.00 0.00 55.95 58.35 1afl s SER 80 Cb -0.01 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1afl s SER 80 CO 0.04 -0.72 -0.07 0.27 1.20 0.00 0.00 173.24 173.96 1afl s ILE 81 N 3.36 0.65 -0.11 6.45 -4.36 -0.22 -0.72 121.20 126.25 1afl s ILE 81 Ca 0.49 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 1afl s ILE 81 Cb -0.18 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.05 1afl s ILE 81 CO 0.10 -0.79 -0.12 -0.89 0.24 0.00 0.00 174.94 173.48 1afl s THR 82 N -3.25 1.26 -0.18 8.37 2.01 0.40 -1.13 115.64 123.13 1afl s THR 82 Ca 0.08 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 1afl s THR 82 Cb 0.03 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1afl s THR 82 CO -0.04 0.40 0.40 -0.62 -0.69 0.00 0.00 174.62 174.07 1afl s ASP 83 N 1.28 6.50 -0.20 3.53 2.15 0.87 -0.91 116.67 129.89 1afl s ASP 83 Ca -0.02 0.59 -0.03 0.00 0.43 0.00 0.00 52.55 53.53 1afl s ASP 83 Cb -0.14 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.24 1afl s ASP 83 CO -0.05 -0.03 -0.08 0.00 -0.17 0.00 0.00 175.17 174.84 1afl s ARG 85 N 1.23 0.93 0.42 0.00 3.52 -0.98 -1.32 118.95 122.74 1afl s ARG 85 Ca 0.03 -0.14 -0.26 0.00 -0.13 0.00 0.00 55.73 55.22 1afl s ARG 85 Cb -0.14 -0.90 -0.10 0.00 -1.56 0.00 0.00 34.95 32.25 1afl s ARG 85 CO -0.03 -0.06 1.44 -1.91 -0.81 0.00 0.00 175.30 173.93 1afl n GLU 86 N 3.99 2.40 -1.72 5.12 2.13 -0.03 -0.44 120.64 132.09 1afl n GLU 86 Ca -0.25 0.85 -0.30 0.00 0.66 0.00 0.00 57.16 58.12 1afl n GLU 86 Cb 0.51 -2.62 0.06 0.00 0.27 0.00 0.00 31.44 29.66 1afl n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1afl s THR 87 N -1.16 3.44 -0.28 6.31 -4.23 -0.73 -4.83 115.64 114.16 1afl s THR 87 Ca 0.58 0.47 0.27 0.00 -1.18 0.00 0.00 61.69 61.82 1afl s THR 87 Cb -0.47 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.32 1afl s THR 87 CO 0.60 -0.61 1.80 1.23 -0.54 0.00 0.00 174.62 177.10 1afl h GLY 88 N -0.82 0.00 0.70 3.99 0.00 -1.94 -2.88 103.07 102.12 1afl h GLY 88 Ca -0.46 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.60 1afl h GLY 88 CO 0.61 0.00 -1.84 -1.14 0.00 0.00 0.00 176.54 174.17 1afl n SER 89 N -2.47 0.62 -4.30 0.19 3.41 -1.26 -4.99 113.62 104.81 1afl n SER 89 Ca 0.01 0.29 -0.54 0.00 -0.26 0.00 0.00 58.87 58.37 1afl n SER 89 Cb 0.23 0.32 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 1afl n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1afl n SER 90 N -2.91 -0.34 -3.66 4.04 2.88 -1.09 -4.98 113.62 107.55 1afl n SER 90 Ca -0.19 1.11 -0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1afl n SER 90 Cb 1.02 -0.89 -0.15 0.00 -0.75 0.00 0.00 64.21 63.44 1afl n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1afl s LYS 91 N -0.27 0.08 0.47 -1.46 2.20 -1.03 -4.93 119.74 114.80 1afl s LYS 91 Ca 0.80 0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 56.79 1afl s LYS 91 Cb -1.13 -0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 34.90 1afl s LYS 91 CO 0.55 -0.31 1.35 -0.47 -0.36 0.00 0.00 175.35 176.11 1afl s TYR 92 N 2.34 2.51 -2.00 4.03 5.04 -1.26 0.35 117.35 128.37 1afl s TYR 92 Ca 0.03 1.36 0.11 0.00 -2.44 0.00 0.00 57.07 56.12 1afl s TYR 92 Cb -0.12 -3.78 0.65 0.00 0.35 0.00 0.00 41.96 39.06 1afl s TYR 92 CO -0.07 -2.62 1.42 -0.35 -1.34 0.00 0.00 175.55 172.60 1afl n PRO 93 N -0.43 1.00 -3.40 4.97 -0.04 -1.26 -4.97 135.00 130.87 1afl n PRO 93 Ca 0.07 -0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1afl n PRO 93 Cb 0.44 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 1afl n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1afl n ASN 94 N -0.67 5.20 -4.70 3.54 4.13 0.16 -5.02 115.26 117.90 1afl n ASN 94 Ca 0.08 -3.09 -0.42 0.00 1.68 0.00 0.00 54.58 52.83 1afl n ASN 94 Cb 0.04 -1.27 -0.03 0.00 -1.54 0.00 0.00 39.78 36.98 1afl n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1afl s ALA 96 N 1.70 2.03 0.08 0.00 0.00 -1.26 -4.96 121.76 119.35 1afl s ALA 96 Ca 0.53 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.55 1afl s ALA 96 Cb -0.23 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1afl s ALA 96 CO 0.23 0.42 -0.14 0.71 0.00 0.00 0.00 175.76 176.98 1afl s TYR 97 N -0.26 1.24 -0.10 0.00 1.51 -1.26 -1.77 117.35 116.71 1afl s TYR 97 Ca 0.00 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.48 1afl s TYR 97 Cb -0.12 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 1afl s TYR 97 CO 0.02 0.07 0.21 0.21 -1.11 0.00 0.00 175.55 174.95 1afl s LYS 98 N -1.96 3.69 -0.19 -0.62 2.47 0.41 -4.69 119.74 118.85 1afl s LYS 98 Ca 0.00 0.01 -0.06 0.00 -1.56 0.00 0.00 55.97 54.36 1afl s LYS 98 Cb -0.09 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 33.01 1afl s LYS 98 CO 0.02 0.67 0.02 0.99 0.16 0.00 0.00 175.35 177.22 1afl s THR 99 N -0.79 4.27 -0.16 3.43 2.01 -1.26 -2.33 115.64 120.80 1afl s THR 99 Ca 0.17 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1afl s THR 99 Cb -0.13 -2.92 0.05 0.00 0.01 0.00 0.00 72.50 69.50 1afl s THR 99 CO 0.06 0.44 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.51 1afl s THR 100 N 0.71 0.91 0.06 -0.82 2.01 -0.59 -4.99 115.64 112.93 1afl s THR 100 Ca 0.01 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1afl s THR 100 Cb -0.14 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.14 1afl s THR 100 CO 0.02 0.05 0.56 -1.58 -0.69 0.00 0.00 174.62 172.99 1afl s GLN 101 N 1.71 4.20 0.21 4.92 2.00 -1.26 -0.09 119.66 131.35 1afl s GLN 101 Ca 0.00 0.71 -0.19 0.00 -2.00 0.00 0.00 55.36 53.89 1afl s GLN 101 Cb -0.15 -3.25 0.03 0.00 0.80 0.00 0.00 33.01 30.43 1afl s GLN 101 CO -0.07 0.61 0.57 0.00 -0.50 0.00 0.00 175.29 175.90 1afl s ALA 102 N -0.99 -1.04 -0.31 1.58 0.00 -0.28 -4.98 121.76 115.74 1afl s ALA 102 Ca 0.29 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1afl s ALA 102 Cb -0.19 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.88 1afl s ALA 102 CO 0.18 -0.85 -0.01 -0.80 0.00 0.00 0.00 175.76 174.28 1afl s ASN 103 N -2.88 4.64 0.22 0.00 0.01 -1.26 -1.06 114.94 114.61 1afl s ASN 103 Ca 0.09 -1.84 -0.02 0.00 -0.71 0.00 0.00 52.86 50.38 1afl s ASN 103 Cb -0.02 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 1afl s ASN 103 CO -0.01 -0.30 0.20 -0.54 -1.51 0.00 0.00 177.10 174.93 1afl s LYS 104 N 0.99 1.29 0.34 -0.60 1.02 -0.68 -4.76 119.74 117.33 1afl s LYS 104 Ca 0.03 -1.60 -0.23 0.00 0.02 0.00 0.00 55.97 54.19 1afl s LYS 104 Cb -0.19 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.32 1afl s LYS 104 CO -0.07 -0.45 0.91 -1.01 -0.92 0.00 0.00 175.35 173.81 1afl s HIS 105 N -4.08 3.58 0.21 3.18 3.76 -0.22 -0.12 115.29 121.60 1afl s HIS 105 Ca 0.37 1.66 0.09 0.00 -0.15 0.00 0.00 55.06 57.02 1afl s HIS 105 Cb 0.05 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 1afl s HIS 105 CO 0.13 0.14 -0.03 0.96 -0.85 0.00 0.00 174.74 175.09 1afl s ILE 106 N -1.76 3.46 -0.12 0.60 -4.36 -1.26 -0.92 121.20 116.84 1afl s ILE 106 Ca 0.52 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 1afl s ILE 106 Cb -0.16 -2.78 0.02 0.00 1.25 0.00 0.00 42.46 40.80 1afl s ILE 106 CO 0.20 -0.22 -0.11 -0.63 0.24 0.00 0.00 174.94 174.42 1afl s ILE 107 N -1.97 1.23 0.12 8.37 1.01 0.11 -1.38 121.20 128.69 1afl s ILE 107 Ca 0.28 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.55 1afl s ILE 107 Cb -0.08 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1afl s ILE 107 CO 0.18 0.40 -0.14 0.68 0.00 0.00 0.00 174.94 176.06 1afl s VAL 108 N 1.45 1.35 -0.05 2.92 -7.23 -0.62 -0.24 120.40 117.98 1afl s VAL 108 Ca 0.01 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 1afl s VAL 108 Cb -0.13 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 1afl s VAL 108 CO -0.07 -0.41 0.33 0.00 -0.31 0.00 0.00 175.10 174.65 1afl s ALA 109 N -2.12 3.72 0.04 1.32 0.00 -0.05 -1.07 121.76 123.60 1afl s ALA 109 Ca 0.09 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1afl s ALA 109 Cb -0.05 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1afl s ALA 109 CO 0.03 0.44 -0.20 0.00 0.00 0.00 0.00 175.76 176.03 1afl s GLU 111 N -1.41 1.22 0.27 0.00 2.12 -0.61 -4.90 118.70 115.40 1afl s GLU 111 Ca 0.14 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1afl s GLU 111 Cb -0.10 0.56 0.00 0.00 0.26 0.00 0.00 34.13 34.85 1afl s GLU 111 CO 0.04 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 1afl n GLY 112 N -0.21 -2.56 2.76 -1.50 0.00 -1.26 -2.85 105.19 99.57 1afl n GLY 112 Ca -0.17 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1afl n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1afl s ASN 113 N -2.41 3.44 0.61 1.61 3.04 -1.26 -1.70 114.94 118.27 1afl s ASN 113 Ca 0.00 -1.16 -0.19 0.00 0.04 0.00 0.00 52.86 51.56 1afl s ASN 113 Cb 0.00 -0.77 -0.03 0.00 -1.54 0.00 0.00 41.25 38.91 1afl s ASN 113 CO 0.00 -0.33 1.23 -2.16 -3.04 0.00 0.00 177.10 172.80 1afl s PRO 114 N 1.71 2.86 -0.71 0.43 0.04 -1.26 -5.09 135.00 132.98 1afl s PRO 114 Ca 0.02 1.89 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 1afl s PRO 114 Cb -0.17 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1afl s PRO 114 CO -0.14 -1.31 1.48 -0.47 0.04 0.00 0.00 177.00 176.60 1afl s TYR 115 N -1.54 2.08 0.29 0.56 5.04 -0.69 -4.89 117.35 118.21 1afl s TYR 115 Ca 0.79 0.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 1afl s TYR 115 Cb -0.32 -4.45 -0.05 0.00 0.35 0.00 0.00 41.96 37.48 1afl s TYR 115 CO 0.35 -2.14 0.09 0.14 -1.34 0.00 0.00 175.55 172.65 1afl s VAL 116 N 6.85 0.76 0.26 3.14 -7.23 -1.13 -4.86 120.40 118.19 1afl s VAL 116 Ca 0.46 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1afl s VAL 116 Cb -0.09 -2.67 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 1afl s VAL 116 CO 0.16 0.00 1.38 -2.84 -0.31 0.00 0.00 175.10 173.49 1afl s PRO 117 N -3.96 4.31 0.00 4.82 0.02 -1.26 -1.57 135.00 137.36 1afl s PRO 117 Ca 0.37 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1afl s PRO 117 Cb 0.08 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1afl s PRO 117 CO 0.15 -0.33 0.12 1.33 -0.33 0.00 0.00 177.00 177.93 1afl n VAL 118 N 1.95 0.00 -3.66 3.83 0.24 0.10 -4.59 118.33 116.21 1afl n VAL 118 Ca 0.05 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1afl n VAL 118 Cb 0.41 1.14 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 1afl n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1afl s HIS 119 N -0.39 -0.72 -0.34 6.34 5.65 -1.20 -4.66 115.29 119.97 1afl s HIS 119 Ca 0.00 1.68 -0.15 0.00 0.25 0.00 0.00 55.06 56.84 1afl s HIS 119 Cb 0.00 0.29 -0.01 0.00 -1.18 0.00 0.00 32.58 31.68 1afl s HIS 119 CO 0.00 -0.36 0.36 0.12 -0.65 0.00 0.00 174.74 174.22 1afl s PHE 120 N 0.61 3.21 -0.16 3.88 5.36 -1.26 -0.87 117.98 128.74 1afl s PHE 120 Ca -0.02 0.01 -0.22 0.00 -0.96 0.00 0.00 56.93 55.74 1afl s PHE 120 Cb -0.05 -2.66 -0.19 0.00 -0.34 0.00 0.00 43.02 39.78 1afl s PHE 120 CO -0.03 -0.41 0.40 0.22 -1.46 0.00 0.00 175.22 173.93 1afl h ASP 121 N 8.44 0.00 -5.81 6.13 3.58 -0.95 -3.49 116.42 124.32 1afl h ASP 121 Ca -0.30 -0.62 0.36 0.00 0.42 0.00 0.00 57.03 56.88 1afl h ASP 121 Cb 1.15 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.06 1afl h ASP 121 CO 0.69 1.12 0.90 0.00 -2.88 0.00 0.00 179.24 179.07 1afl s ALA 122 N -2.35 -2.35 0.09 -0.78 0.00 -1.03 -4.98 121.76 110.36 1afl s ALA 122 Ca -0.21 0.84 0.09 0.00 0.00 0.00 0.00 51.96 52.69 1afl s ALA 122 Cb 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1afl s ALA 122 CO 0.54 -1.04 -0.25 -1.54 0.00 0.00 0.00 175.76 173.48 1afl s SER 123 N -2.96 3.01 0.00 0.00 1.04 -1.26 0.04 113.70 113.57 1afl s SER 123 Ca 0.14 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1afl s SER 123 Cb 0.06 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1afl s SER 123 CO -0.05 0.18 0.13 1.33 0.98 0.00 0.00 173.24 175.80