#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afu s GLU 2 N 0.00 0.64 0.80 -1.58 2.12 -1.26 -5.14 118.70 114.27 1afu s GLU 2 Ca 0.00 1.25 -0.11 0.00 0.36 0.00 0.00 54.97 56.47 1afu s GLU 2 Cb 0.00 0.33 0.07 0.00 0.26 0.00 0.00 34.13 34.79 1afu s GLU 2 CO 0.00 -0.17 1.09 0.95 -0.54 0.00 0.00 175.26 176.59 1afu s THR 3 N 1.99 3.15 0.30 -1.70 -4.23 -1.26 -4.85 115.64 109.05 1afu s THR 3 Ca -0.09 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1afu s THR 3 Cb -0.07 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 70.98 1afu s THR 3 CO -0.19 -0.49 1.96 0.00 -0.54 0.00 0.00 174.62 175.37 1afu h ALA 4 N -1.12 1.44 -0.40 3.99 0.00 -1.96 -0.43 119.26 120.78 1afu h ALA 4 Ca -0.47 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1afu h ALA 4 Cb 1.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1afu h ALA 4 CO 0.58 0.50 0.01 0.00 0.00 0.00 0.00 179.25 180.34 1afu h ALA 5 N 1.49 0.53 -0.15 0.00 0.00 -1.89 -0.53 119.26 118.72 1afu h ALA 5 Ca 0.31 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1afu h ALA 5 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1afu h ALA 5 CO -0.08 0.30 -0.46 0.00 0.00 0.00 0.00 179.25 179.01 1afu h ALA 6 N 0.89 0.93 -0.45 0.00 0.00 -1.81 -2.43 119.26 116.38 1afu h ALA 6 Ca 0.11 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1afu h ALA 6 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1afu h ALA 6 CO 0.02 0.65 -0.03 -0.22 0.00 0.00 0.00 179.25 179.67 1afu h LYS 7 N 0.30 0.82 -0.45 0.00 3.64 -0.90 -1.53 116.57 118.46 1afu h LYS 7 Ca 0.02 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1afu h LYS 7 Cb 0.94 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1afu h LYS 7 CO 0.08 0.89 0.26 0.35 -2.27 0.00 0.00 179.45 178.76 1afu h PHE 8 N 0.66 0.60 -0.64 1.91 3.04 -0.89 -1.47 116.94 120.15 1afu h PHE 8 Ca 0.12 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1afu h PHE 8 Cb 0.54 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 1afu h PHE 8 CO 0.04 0.43 0.39 0.93 -2.02 0.00 0.00 178.31 178.08 1afu h GLU 9 N 0.59 0.72 -0.30 1.11 5.08 -1.29 0.28 114.58 120.76 1afu h GLU 9 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1afu h GLU 9 Cb 0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1afu h GLU 9 CO -0.03 0.48 0.17 -0.09 -1.00 0.00 0.00 179.01 178.54 1afu h ARG 10 N 0.75 0.42 0.00 2.33 2.43 -0.88 -1.34 114.38 118.09 1afu h ARG 10 Ca 0.27 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.23 1afu h ARG 10 Cb 0.07 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1afu h ARG 10 CO -0.13 0.35 -0.79 1.96 -1.51 0.00 0.00 179.97 179.85 1afu h GLN 11 N 0.38 0.00 0.00 0.20 4.20 -1.15 -3.42 115.11 115.31 1afu h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1afu h GLN 11 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1afu h GLN 11 CO -0.02 0.79 -0.48 0.72 -0.67 0.00 0.00 178.83 179.17 1afu n HIS 12 N -3.29 0.00 -3.60 2.96 8.25 0.07 -4.71 115.22 114.90 1afu n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1afu n HIS 12 Cb 0.85 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.89 1afu n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1afu s MET 13 N -1.36 4.23 -0.44 -0.41 -1.94 -0.51 0.52 119.30 119.39 1afu s MET 13 Ca 0.00 -0.02 0.06 0.00 -1.71 0.00 0.00 55.69 54.02 1afu s MET 13 Cb 0.00 -3.43 0.20 0.00 2.01 0.00 0.00 34.83 33.60 1afu s MET 13 CO 0.00 0.24 0.52 -3.47 -0.01 0.00 0.00 175.02 172.29 1afu n ASP 14 N 3.63 -1.25 0.02 3.03 2.03 -0.52 -4.84 116.55 118.66 1afu n ASP 14 Ca -0.13 -2.65 0.11 0.00 0.52 0.00 0.00 54.79 52.64 1afu n ASP 14 Cb 0.52 0.17 0.49 0.00 -0.72 0.00 0.00 41.12 41.58 1afu n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1afu n SER 15 N 2.45 0.15 -0.32 1.67 7.64 -1.26 -3.85 113.62 120.11 1afu n SER 15 Ca 0.23 0.52 -0.04 0.00 1.01 0.00 0.00 58.87 60.60 1afu n SER 15 Cb 0.52 -0.56 0.08 0.00 -1.01 0.00 0.00 64.21 63.24 1afu n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1afu h SER 16 N 0.00 1.01 -4.10 6.43 0.02 -1.94 -3.43 113.55 111.54 1afu h SER 16 Ca 0.00 -0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 60.21 1afu h SER 16 Cb 0.44 -0.25 -0.24 0.00 0.14 0.00 0.00 62.40 62.49 1afu h SER 16 CO 0.00 0.76 -0.79 0.42 -1.14 0.00 0.00 176.83 176.07 1afu s THR 17 N -6.03 2.86 -0.60 -2.27 -4.23 -1.25 -5.02 115.64 99.11 1afu s THR 17 Ca -0.13 -0.89 0.25 0.00 -1.18 0.00 0.00 61.69 59.74 1afu s THR 17 Cb 0.16 -2.12 0.27 0.00 1.34 0.00 0.00 72.50 72.14 1afu s THR 17 CO 0.80 0.53 1.74 -1.54 -0.54 0.00 0.00 174.62 175.62 1afu n SER 18 N 2.14 0.73 -2.55 3.99 3.41 -1.26 -4.64 113.62 115.44 1afu n SER 18 Ca -0.17 0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1afu n SER 18 Cb 0.52 -0.80 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1afu n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afu n ALA 19 N -1.78 -1.24 -2.15 7.33 0.00 -1.26 -4.84 120.51 116.57 1afu n ALA 19 Ca 0.04 -1.14 -0.40 0.00 0.00 0.00 0.00 53.44 51.93 1afu n ALA 19 Cb 0.32 0.91 -0.03 0.00 0.00 0.00 0.00 19.45 20.66 1afu n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afu s ALA 20 N -2.06 2.54 0.20 0.00 0.00 -1.26 -4.87 121.76 116.31 1afu s ALA 20 Ca 0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1afu s ALA 20 Cb -0.03 -4.17 0.24 0.00 0.00 0.00 0.00 23.12 19.15 1afu s ALA 20 CO 0.12 -3.29 1.65 0.66 0.00 0.00 0.00 175.76 174.89 1afu h SER 21 N 13.15 -0.41 -5.01 0.00 4.64 -1.97 -3.47 113.55 120.48 1afu h SER 21 Ca -0.28 0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1afu h SER 21 Cb 1.14 0.31 -0.02 0.00 -0.31 0.00 0.00 62.40 63.52 1afu h SER 21 CO 1.16 -0.16 0.26 -0.94 -0.87 0.00 0.00 176.83 176.29 1afu s SER 22 N -5.23 -0.11 0.58 4.97 1.04 -1.26 -4.99 113.70 108.70 1afu s SER 22 Ca -0.14 -0.92 0.27 0.00 0.48 0.00 0.00 55.95 55.65 1afu s SER 22 Cb 0.18 0.79 1.57 0.00 0.10 0.00 0.00 66.02 68.67 1afu s SER 22 CO 0.73 -1.54 2.06 0.77 0.98 0.00 0.00 173.24 176.25 1afu h SER 23 N 2.00 0.00 1.58 7.02 4.64 -1.93 0.34 113.55 127.20 1afu h SER 23 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1afu h SER 23 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1afu h SER 23 CO 0.33 0.00 -0.06 0.78 -0.87 0.00 0.00 176.83 177.02 1afu h ASN 24 N 0.00 0.00 -0.67 4.97 2.35 -1.95 -3.40 115.58 116.88 1afu h ASN 24 Ca 0.12 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1afu h ASN 24 Cb 0.62 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.89 1afu h ASN 24 CO -0.00 0.06 -0.50 0.22 -1.65 0.00 0.00 177.43 175.56 1afu h TYR 25 N 0.00 -1.57 -0.91 1.19 3.20 -1.31 -2.45 116.97 115.11 1afu h TYR 25 Ca -0.00 0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1afu h TYR 25 Cb 0.86 0.78 -0.05 0.00 1.54 0.00 0.00 36.73 39.86 1afu h TYR 25 CO 0.00 -0.36 0.60 0.00 -1.64 0.00 0.00 178.16 176.76 1afu h ASN 27 N 1.19 0.94 -0.05 0.00 2.35 -1.76 0.18 115.58 118.43 1afu h ASN 27 Ca 0.35 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 1afu h ASN 27 Cb -0.07 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1afu h ASN 27 CO -0.10 0.67 -0.27 1.56 -1.65 0.00 0.00 177.43 177.64 1afu h GLN 28 N 1.10 0.28 -0.31 0.81 4.20 -1.02 -3.24 115.11 116.94 1afu h GLN 28 Ca 0.32 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1afu h GLN 28 Cb -0.08 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1afu h GLN 28 CO -0.08 0.88 -0.10 0.52 -0.67 0.00 0.00 178.83 179.38 1afu h MET 29 N -0.25 0.61 -0.63 1.46 2.86 -0.75 -0.63 114.93 117.59 1afu h MET 29 Ca -0.02 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1afu h MET 29 Cb 0.93 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1afu h MET 29 CO 0.06 0.81 0.42 0.52 1.06 0.00 0.00 176.91 179.77 1afu h MET 30 N 0.37 0.77 0.02 1.72 2.86 -0.77 -0.36 114.93 119.55 1afu h MET 30 Ca 0.08 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1afu h MET 30 Cb 0.59 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1afu h MET 30 CO 0.03 0.51 -0.01 -0.22 1.06 0.00 0.00 176.91 178.29 1afu h LYS 31 N 0.80 -0.03 -0.96 1.72 3.64 -1.56 0.12 116.57 120.30 1afu h LYS 31 Ca 0.25 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.82 1afu h LYS 31 Cb 0.00 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.72 1afu h LYS 31 CO -0.06 0.72 0.55 1.03 -2.27 0.00 0.00 179.45 179.42 1afu h SER 32 N -0.86 0.66 -0.10 4.20 0.87 -0.91 0.14 113.55 117.54 1afu h SER 32 Ca -0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1afu h SER 32 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1afu h SER 32 CO 0.00 0.19 0.00 0.54 -0.53 0.00 0.00 176.83 177.04 1afu n ARG 33 N -4.85 1.40 -2.11 2.24 5.12 -0.16 -4.90 116.66 113.40 1afu n ARG 33 Ca 0.23 -0.60 -0.15 0.00 -1.93 0.00 0.00 57.85 55.40 1afu n ARG 33 Cb 0.59 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.56 1afu n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1afu n ASN 34 N -0.16 -4.54 -0.30 0.55 3.02 0.49 -4.85 115.26 109.47 1afu n ASN 34 Ca 0.14 0.06 0.14 0.00 -0.03 0.00 0.00 54.58 54.89 1afu n ASN 34 Cb 0.20 -3.62 0.56 0.00 -0.61 0.00 0.00 39.78 36.31 1afu n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1afu n LEU 35 N -2.03 1.01 -2.13 3.41 4.77 0.02 -3.78 117.00 118.27 1afu n LEU 35 Ca -0.17 -0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 55.34 1afu n LEU 35 Cb 0.60 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1afu n LEU 35 CO 0.21 0.18 0.15 0.35 -1.33 0.00 0.00 177.39 176.94 1afu n THR 36 N -0.38 2.26 -0.07 -5.08 -2.24 -1.14 -3.01 114.28 104.62 1afu n THR 36 Ca 0.17 -3.92 -0.09 0.00 -2.27 0.00 0.00 64.05 57.94 1afu n THR 36 Cb 0.31 -0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 1afu n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1afu n LYS 37 N -0.69 0.67 0.00 -0.78 4.81 -1.25 -4.53 118.16 116.39 1afu n LYS 37 Ca 0.36 0.10 0.04 0.00 -0.87 0.00 0.00 58.31 57.94 1afu n LYS 37 Cb 0.93 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 34.32 1afu n LYS 37 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1afu n ASP 38 N -2.85 0.44 0.00 3.14 9.92 -1.26 -5.05 116.55 120.89 1afu n ASP 38 Ca -0.27 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 1afu n ASP 38 Cb 1.12 0.98 0.00 0.00 -0.64 0.00 0.00 41.12 42.58 1afu n ASP 38 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1afu n ARG 39 N -1.17 -1.26 -3.01 -1.24 1.85 -1.26 -5.08 116.66 105.50 1afu n ARG 39 Ca 0.02 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.44 1afu n ARG 39 Cb 0.14 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.49 1afu n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1afu s LYS 41 N 3.13 4.16 0.14 0.00 2.20 -1.16 -4.89 119.74 123.32 1afu s LYS 41 Ca 0.28 2.45 -0.20 0.00 -0.36 0.00 0.00 55.97 58.14 1afu s LYS 41 Cb -0.13 -3.88 0.01 0.00 -1.51 0.00 0.00 37.83 32.32 1afu s LYS 41 CO 0.21 -0.86 1.68 -1.35 -0.36 0.00 0.00 175.35 174.67 1afu h PRO 42 N 9.45 -0.07 -4.41 4.03 0.11 -1.94 -3.45 132.00 135.72 1afu h PRO 42 Ca -0.45 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.43 1afu h PRO 42 Cb 1.21 0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 1afu h PRO 42 CO 0.94 -0.05 -0.72 0.14 -0.21 0.00 0.00 178.00 178.11 1afu s VAL 43 N -6.18 0.43 -0.25 3.15 -7.23 -1.26 -2.41 120.40 106.65 1afu s VAL 43 Ca -0.14 -1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 1afu s VAL 43 Cb 0.11 -0.62 0.07 0.00 0.56 0.00 0.00 36.38 36.50 1afu s VAL 43 CO 0.69 -0.47 0.71 0.21 -0.31 0.00 0.00 175.10 175.94 1afu s ASN 44 N -1.69 -0.74 -0.08 4.85 2.47 -0.58 -5.01 114.94 114.16 1afu s ASN 44 Ca -0.10 1.37 0.04 0.00 0.42 0.00 0.00 52.86 54.59 1afu s ASN 44 Cb -0.08 1.36 -0.01 0.00 -1.45 0.00 0.00 41.25 41.07 1afu s ASN 44 CO -0.01 -0.29 -0.20 -0.89 -3.72 0.00 0.00 177.10 172.00 1afu s THR 45 N 0.21 2.52 -0.07 -5.21 2.01 -1.26 -0.54 115.64 113.29 1afu s THR 45 Ca -0.01 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1afu s THR 45 Cb -0.04 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1afu s THR 45 CO 0.02 0.56 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.10 1afu s PHE 46 N -0.12 3.00 -0.21 4.92 0.08 -0.32 -4.44 117.98 120.89 1afu s PHE 46 Ca -0.03 0.07 -0.06 0.00 0.12 0.00 0.00 56.93 57.03 1afu s PHE 46 Cb -0.14 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1afu s PHE 46 CO 0.04 0.37 0.03 0.08 -0.10 0.00 0.00 175.22 175.64 1afu s VAL 47 N -0.84 4.19 -0.91 -0.44 1.01 0.19 -0.84 120.40 122.76 1afu s VAL 47 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1afu s VAL 47 Cb -0.11 -2.91 0.30 0.00 0.00 0.00 0.00 36.38 33.66 1afu s VAL 47 CO 0.02 0.41 2.04 1.41 0.00 0.00 0.00 175.10 178.98 1afu n HIS 48 N 4.25 2.76 -4.36 5.22 -0.00 0.28 -1.44 115.22 121.93 1afu n HIS 48 Ca -0.17 -2.41 -0.18 0.00 -0.00 0.00 0.00 57.72 54.96 1afu n HIS 48 Cb 0.52 -1.25 -0.10 0.00 -0.00 0.00 0.00 29.99 29.16 1afu n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1afu s GLU 49 N -3.80 1.42 0.59 -0.41 0.41 -1.26 -4.67 118.70 110.98 1afu s GLU 49 Ca 0.48 -1.73 -0.18 0.00 -0.41 0.00 0.00 54.97 53.12 1afu s GLU 49 Cb 0.33 -0.72 -0.04 0.00 -1.78 0.00 0.00 34.13 31.93 1afu s GLU 49 CO -0.28 -0.10 1.16 -1.54 -0.49 0.00 0.00 175.26 174.02 1afu s SER 50 N -3.35 5.33 0.20 -0.19 1.04 -1.26 -4.30 113.70 111.17 1afu s SER 50 Ca 0.30 2.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.88 1afu s SER 50 Cb 0.06 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.86 1afu s SER 50 CO 0.10 -1.49 1.72 0.25 0.98 0.00 0.00 173.24 174.80 1afu h LEU 51 N 0.83 0.07 -1.07 2.42 5.85 -1.99 -1.03 115.31 120.39 1afu h LEU 51 Ca -0.50 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.37 1afu h LEU 51 Cb 1.28 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.36 1afu h LEU 51 CO 0.55 0.05 0.63 0.00 -0.34 0.00 0.00 178.44 179.33 1afu h ALA 52 N 1.44 1.42 -0.48 1.25 0.00 -1.99 -0.75 119.26 120.15 1afu h ALA 52 Ca 0.30 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1afu h ALA 52 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1afu h ALA 52 CO -0.35 0.45 -0.14 -0.44 0.00 0.00 0.00 179.25 178.77 1afu h ASP 53 N 1.15 0.92 0.02 0.00 5.19 -1.58 -2.18 116.42 119.94 1afu h ASP 53 Ca 0.40 -0.30 -0.20 0.00 -0.62 0.00 0.00 57.03 56.31 1afu h ASP 53 Cb 0.11 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.38 1afu h ASP 53 CO -0.14 1.05 -0.72 0.58 -3.12 0.00 0.00 179.24 176.88 1afu h VAL 54 N 0.81 1.32 -0.46 -1.35 2.07 -0.88 -3.17 116.25 114.59 1afu h VAL 54 Ca 0.13 -2.00 -0.07 0.00 0.82 0.00 0.00 66.70 65.57 1afu h VAL 54 Cb 0.67 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1afu h VAL 54 CO 0.05 0.62 -0.02 1.56 0.02 0.00 0.00 177.57 179.80 1afu h GLN 55 N 0.44 0.77 0.00 1.57 4.20 -1.09 -2.26 115.11 118.73 1afu h GLN 55 Ca -0.03 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1afu h GLN 55 Cb 1.32 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1afu h GLN 55 CO 0.14 0.79 0.06 0.00 -0.67 0.00 0.00 178.83 179.15 1afu h ALA 56 N 1.26 1.06 0.00 3.87 0.00 -1.36 -1.13 119.26 122.96 1afu h ALA 56 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1afu h ALA 56 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1afu h ALA 56 CO 0.02 -0.06 -0.11 0.28 0.00 0.00 0.00 179.25 179.38 1afu h VAL 57 N 0.00 0.54 0.00 0.00 2.07 -1.45 -2.00 116.25 115.41 1afu h VAL 57 Ca 0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1afu h VAL 57 Cb 0.13 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1afu h VAL 57 CO 0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1afu n SER 59 N -1.94 3.06 0.00 0.00 3.41 -0.75 -4.99 113.62 112.41 1afu n SER 59 Ca 0.01 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1afu n SER 59 Cb 0.12 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1afu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afu n GLN 60 N 0.30 2.73 -2.34 4.33 6.02 -0.12 -4.99 117.38 123.32 1afu n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1afu n GLN 60 Cb 0.50 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.74 1afu n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1afu s LYS 61 N 3.32 3.84 -0.02 -1.09 2.20 -0.87 -4.85 119.74 122.27 1afu s LYS 61 Ca 0.00 1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 56.61 1afu s LYS 61 Cb 0.00 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1afu s LYS 61 CO 0.00 -1.22 1.13 1.21 -0.36 0.00 0.00 175.35 176.11 1afu s ASN 62 N 3.30 7.14 0.14 1.43 3.04 -1.26 0.45 114.94 129.18 1afu s ASN 62 Ca 0.61 1.80 0.00 0.00 0.04 0.00 0.00 52.86 55.31 1afu s ASN 62 Cb -0.18 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 1afu s ASN 62 CO 0.26 -0.48 0.02 0.68 -3.04 0.00 0.00 177.10 174.54 1afu s VAL 63 N 1.67 0.38 0.27 -5.21 -7.23 0.10 -4.91 120.40 105.47 1afu s VAL 63 Ca 0.55 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 1afu s VAL 63 Cb -0.24 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1afu s VAL 63 CO 0.24 -0.56 1.13 0.00 -0.31 0.00 0.00 175.10 175.61 1afu s ALA 64 N -3.85 3.42 0.57 1.32 0.00 -1.26 -3.19 121.76 118.77 1afu s ALA 64 Ca 0.21 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1afu s ALA 64 Cb 0.07 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1afu s ALA 64 CO 0.01 -0.24 1.00 0.00 0.00 0.00 0.00 175.76 176.53 1afu h LYS 66 N 0.17 0.00 -0.20 0.00 1.57 -1.93 0.05 116.57 116.24 1afu h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1afu h LYS 66 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1afu h LYS 66 CO 0.62 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.77 1afu n ASN 67 N -3.77 1.67 0.00 0.86 6.94 -1.26 -4.92 115.26 114.78 1afu n ASN 67 Ca -0.01 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1afu n ASN 67 Cb 0.18 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1afu n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1afu n GLY 68 N 1.11 1.78 3.78 4.83 0.00 0.01 -5.05 105.19 111.63 1afu n GLY 68 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1afu n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afu s GLN 69 N -0.66 1.97 -0.05 1.61 -0.21 -1.26 -4.71 119.66 116.34 1afu s GLN 69 Ca 0.00 0.81 0.14 0.00 0.02 0.00 0.00 55.36 56.32 1afu s GLN 69 Cb 0.00 -1.89 0.42 0.00 1.00 0.00 0.00 33.01 32.54 1afu s GLN 69 CO 0.00 -1.74 1.35 0.25 -2.12 0.00 0.00 175.29 173.03 1afu n THR 70 N -3.54 1.39 -0.99 -0.19 -2.24 -1.26 -0.54 114.28 106.91 1afu n THR 70 Ca 0.07 -1.23 -0.24 0.00 -2.27 0.00 0.00 64.05 60.39 1afu n THR 70 Cb 0.55 0.28 0.08 0.00 -2.10 0.00 0.00 70.33 69.14 1afu n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1afu n ASN 71 N 0.41 6.17 -4.69 3.42 6.94 -1.26 -4.69 115.26 121.56 1afu n ASN 71 Ca 0.16 -3.36 -0.30 0.00 -0.02 0.00 0.00 54.58 51.05 1afu n ASN 71 Cb 0.60 -0.95 -0.08 0.00 -2.36 0.00 0.00 39.78 36.99 1afu n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1afu s TYR 73 N -1.29 0.25 -0.12 0.00 1.51 0.12 -0.72 117.35 117.11 1afu s TYR 73 Ca 0.25 -0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.23 1afu s TYR 73 Cb -0.12 -0.20 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1afu s TYR 73 CO 0.18 -0.03 0.06 -1.14 -1.11 0.00 0.00 175.55 173.50 1afu s GLN 74 N 0.14 3.33 0.26 -0.62 0.74 0.17 -1.58 119.66 122.10 1afu s GLN 74 Ca -0.01 -0.31 -0.29 0.00 0.05 0.00 0.00 55.36 54.80 1afu s GLN 74 Cb -0.03 -3.00 -0.09 0.00 1.10 0.00 0.00 33.01 30.98 1afu s GLN 74 CO -0.00 0.64 1.19 -1.54 -0.55 0.00 0.00 175.29 175.02 1afu s SER 75 N -0.66 7.07 0.25 6.67 1.04 -0.58 -2.06 113.70 125.43 1afu s SER 75 Ca 0.11 2.37 -0.00 0.00 0.48 0.00 0.00 55.95 58.91 1afu s SER 75 Cb -0.12 -2.62 0.30 0.00 0.10 0.00 0.00 66.02 63.67 1afu s SER 75 CO 0.02 -0.33 1.66 1.88 0.98 0.00 0.00 173.24 177.46 1afu h TYR 76 N 4.26 0.67 -2.23 5.02 0.05 -1.96 -3.44 116.97 119.34 1afu h TYR 76 Ca -0.46 -0.16 -0.48 0.00 0.05 0.00 0.00 58.73 57.68 1afu h TYR 76 Cb 1.22 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 1afu h TYR 76 CO 0.59 0.80 -0.46 -1.12 -1.05 0.00 0.00 178.16 176.93 1afu s SER 77 N -6.80 6.12 0.54 3.88 0.01 -1.26 -5.07 113.70 111.12 1afu s SER 77 Ca -0.08 -0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 1afu s SER 77 Cb 0.13 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.55 1afu s SER 77 CO 0.81 -0.05 1.03 0.42 0.41 0.00 0.00 173.24 175.86 1afu s THR 78 N -1.99 4.06 0.14 1.44 -4.23 -1.26 -4.54 115.64 109.25 1afu s THR 78 Ca 0.34 1.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.94 1afu s THR 78 Cb -0.09 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1afu s THR 78 CO 0.28 -0.51 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.69 1afu s MET 79 N -3.90 1.03 -0.17 3.99 -1.94 0.90 -4.87 119.30 114.33 1afu s MET 79 Ca 0.63 -1.35 -0.27 0.00 -1.71 0.00 0.00 55.69 52.99 1afu s MET 79 Cb -0.14 -0.73 -0.01 0.00 2.01 0.00 0.00 34.83 35.97 1afu s MET 79 CO 0.31 0.11 0.91 0.45 -0.01 0.00 0.00 175.02 176.80 1afu s SER 80 N -2.85 7.04 0.10 3.03 0.15 -1.26 -2.16 113.70 117.75 1afu s SER 80 Ca 0.13 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1afu s SER 80 Cb -0.01 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1afu s SER 80 CO 0.02 -0.47 -0.02 0.27 1.20 0.00 0.00 173.24 174.23 1afu s ILE 81 N 2.38 0.43 -0.08 6.45 -4.36 -0.70 -0.56 121.20 124.76 1afu s ILE 81 Ca 0.41 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 1afu s ILE 81 Cb -0.17 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.80 1afu s ILE 81 CO 0.12 -0.78 -0.12 -0.89 0.24 0.00 0.00 174.94 173.51 1afu s THR 82 N -3.80 1.19 -0.17 8.37 2.01 -0.02 -1.87 115.64 121.35 1afu s THR 82 Ca 0.14 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 1afu s THR 82 Cb 0.07 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1afu s THR 82 CO -0.04 0.38 0.33 -1.81 -0.69 0.00 0.00 174.62 172.79 1afu s ASP 83 N 0.94 6.44 -0.21 3.53 1.01 0.17 -1.17 116.67 127.37 1afu s ASP 83 Ca -0.09 0.52 -0.05 0.00 0.71 0.00 0.00 52.55 53.64 1afu s ASP 83 Cb -0.15 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1afu s ASP 83 CO 0.00 0.04 -0.01 0.00 0.21 0.00 0.00 175.17 175.41 1afu s ARG 85 N 1.26 0.44 0.41 0.00 3.52 -0.91 -1.53 118.95 122.14 1afu s ARG 85 Ca 0.04 -0.12 -0.25 0.00 -0.13 0.00 0.00 55.73 55.27 1afu s ARG 85 Cb -0.15 -0.46 -0.11 0.00 -1.56 0.00 0.00 34.95 32.68 1afu s ARG 85 CO 0.00 0.04 1.03 -1.91 -0.81 0.00 0.00 175.30 173.66 1afu n GLU 86 N 3.32 1.41 -3.25 5.12 4.07 -1.01 0.93 120.64 131.23 1afu n GLU 86 Ca -0.17 0.50 -0.19 0.00 -0.06 0.00 0.00 57.16 57.24 1afu n GLU 86 Cb 0.56 -2.06 -0.00 0.00 -0.06 0.00 0.00 31.44 29.88 1afu n GLU 86 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1afu s THR 87 N -1.25 2.77 0.25 6.31 -4.23 -0.80 -4.66 115.64 114.04 1afu s THR 87 Ca 0.63 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1afu s THR 87 Cb -0.56 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1afu s THR 87 CO 0.57 0.00 1.61 1.23 -0.54 0.00 0.00 174.62 177.49 1afu h GLY 88 N 0.76 0.31 2.00 3.99 0.00 -1.96 -2.48 103.07 105.68 1afu h GLY 88 Ca -0.40 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1afu h GLY 88 CO 0.50 0.31 0.00 -1.14 0.00 0.00 0.00 176.54 176.20 1afu n SER 89 N -3.94 0.06 -4.63 0.19 3.41 -1.26 -4.73 113.62 102.71 1afu n SER 89 Ca -0.02 0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 1afu n SER 89 Cb 0.56 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1afu n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1afu s SER 90 N -3.10 6.01 -0.10 4.04 0.15 -0.94 -4.83 113.70 114.93 1afu s SER 90 Ca 0.06 2.14 -0.02 0.00 0.70 0.00 0.00 55.95 58.83 1afu s SER 90 Cb 0.09 -2.52 0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1afu s SER 90 CO 0.26 -1.48 0.04 -0.54 1.20 0.00 0.00 173.24 172.72 1afu s LYS 91 N 5.32 0.33 0.35 5.44 -0.14 -0.60 -4.86 119.74 125.57 1afu s LYS 91 Ca 0.90 0.08 -0.28 0.00 -1.36 0.00 0.00 55.97 55.31 1afu s LYS 91 Cb -0.35 -1.15 -0.12 0.00 -1.68 0.00 0.00 37.83 34.53 1afu s LYS 91 CO 0.37 -0.42 1.44 0.98 -0.76 0.00 0.00 175.35 176.95 1afu n TYR 92 N 5.20 2.71 1.89 3.18 9.36 -1.26 0.19 117.16 138.43 1afu n TYR 92 Ca -0.06 0.45 0.07 0.00 3.32 0.00 0.00 57.90 61.68 1afu n TYR 92 Cb 0.49 -2.50 0.39 0.00 -0.63 0.00 0.00 39.34 37.09 1afu n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1afu n PRO 93 N 0.82 1.09 -2.96 2.98 -0.04 -1.26 -4.97 135.00 130.66 1afu n PRO 93 Ca 0.04 -0.14 -0.44 0.00 -0.04 0.00 0.00 63.50 62.92 1afu n PRO 93 Cb 0.37 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1afu n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1afu n ASN 94 N -0.58 5.68 -4.76 3.54 4.13 0.51 -5.01 115.26 118.77 1afu n ASN 94 Ca 0.11 -3.16 -0.40 0.00 1.68 0.00 0.00 54.58 52.80 1afu n ASN 94 Cb 0.08 -1.40 -0.04 0.00 -1.54 0.00 0.00 39.78 36.88 1afu n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1afu s ALA 96 N -1.05 1.12 0.08 0.00 0.00 -1.26 -4.91 121.76 115.74 1afu s ALA 96 Ca 0.46 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1afu s ALA 96 Cb -0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1afu s ALA 96 CO 0.43 0.25 -0.08 0.71 0.00 0.00 0.00 175.76 177.07 1afu s TYR 97 N -0.49 0.89 -0.23 0.00 1.51 -1.26 -1.90 117.35 115.87 1afu s TYR 97 Ca 0.04 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.32 1afu s TYR 97 Cb -0.06 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1afu s TYR 97 CO 0.00 -0.08 0.06 0.21 -1.11 0.00 0.00 175.55 174.63 1afu s LYS 98 N -2.85 3.73 -0.03 -0.62 2.20 0.27 -4.64 119.74 117.78 1afu s LYS 98 Ca 0.04 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 1afu s LYS 98 Cb -0.02 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1afu s LYS 98 CO -0.02 -0.05 0.68 0.99 -0.36 0.00 0.00 175.35 176.60 1afu s THR 99 N 1.23 4.96 -0.06 3.43 2.01 -1.26 -2.14 115.64 123.81 1afu s THR 99 Ca 0.04 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.44 1afu s THR 99 Cb -0.14 -4.02 0.04 0.00 0.01 0.00 0.00 72.50 68.38 1afu s THR 99 CO 0.03 0.31 0.10 -0.89 -0.69 0.00 0.00 174.62 173.49 1afu s THR 100 N 0.42 -0.17 0.08 -0.82 2.01 -0.14 -4.96 115.64 112.06 1afu s THR 100 Ca 0.36 0.38 -0.08 0.00 0.31 0.00 0.00 61.69 62.65 1afu s THR 100 Cb -0.18 -0.23 -0.06 0.00 0.01 0.00 0.00 72.50 72.04 1afu s THR 100 CO 0.19 0.15 0.37 -1.58 -0.69 0.00 0.00 174.62 173.05 1afu s GLN 101 N 2.22 3.69 0.18 4.92 2.00 -1.26 0.45 119.66 131.87 1afu s GLN 101 Ca 0.04 0.07 -0.24 0.00 -2.00 0.00 0.00 55.36 53.23 1afu s GLN 101 Cb -0.12 -2.98 0.05 0.00 0.80 0.00 0.00 33.01 30.76 1afu s GLN 101 CO -0.04 0.56 0.91 0.00 -0.50 0.00 0.00 175.29 176.21 1afu s ALA 102 N -1.44 -1.56 -0.26 1.58 0.00 -0.78 -4.97 121.76 114.33 1afu s ALA 102 Ca 0.34 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1afu s ALA 102 Cb -0.13 0.69 0.06 0.00 0.00 0.00 0.00 23.12 23.74 1afu s ALA 102 CO 0.19 -1.05 -0.07 -0.80 0.00 0.00 0.00 175.76 174.03 1afu s ASN 103 N -2.95 4.29 0.23 0.00 0.01 -1.26 -1.73 114.94 113.53 1afu s ASN 103 Ca 0.12 -1.41 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 1afu s ASN 103 Cb -0.02 -1.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.17 1afu s ASN 103 CO 0.03 -0.23 0.19 -0.54 -1.51 0.00 0.00 177.10 175.05 1afu s LYS 104 N 1.18 1.35 0.31 -0.60 1.02 -0.92 -4.78 119.74 117.30 1afu s LYS 104 Ca -0.06 -1.69 -0.20 0.00 0.02 0.00 0.00 55.97 54.04 1afu s LYS 104 Cb -0.19 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 1afu s LYS 104 CO -0.06 -0.47 0.81 -1.01 -0.92 0.00 0.00 175.35 173.70 1afu s HIS 105 N -3.98 3.52 0.16 3.18 3.76 0.16 -0.07 115.29 122.03 1afu s HIS 105 Ca 0.38 1.46 0.07 0.00 -0.15 0.00 0.00 55.06 56.82 1afu s HIS 105 Cb 0.05 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 1afu s HIS 105 CO 0.15 0.17 0.00 0.96 -0.85 0.00 0.00 174.74 175.17 1afu s ILE 106 N -1.78 3.78 -0.12 0.60 -4.36 -1.26 -0.62 121.20 117.44 1afu s ILE 106 Ca 0.51 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1afu s ILE 106 Cb -0.14 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.70 1afu s ILE 106 CO 0.19 -0.07 -0.13 -0.63 0.24 0.00 0.00 174.94 174.54 1afu s ILE 107 N -1.66 1.36 0.10 8.37 1.01 1.00 -1.53 121.20 129.84 1afu s ILE 107 Ca 0.27 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1afu s ILE 107 Cb -0.10 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1afu s ILE 107 CO 0.19 0.42 -0.15 0.68 0.00 0.00 0.00 174.94 176.07 1afu s VAL 108 N 1.29 1.29 -0.06 2.92 -7.23 -0.62 -0.01 120.40 117.99 1afu s VAL 108 Ca -0.01 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 1afu s VAL 108 Cb -0.14 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1afu s VAL 108 CO -0.05 -0.30 0.29 0.00 -0.31 0.00 0.00 175.10 174.73 1afu s ALA 109 N -1.68 3.76 0.10 1.32 0.00 -0.18 -0.70 121.76 124.37 1afu s ALA 109 Ca 0.04 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1afu s ALA 109 Cb -0.08 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1afu s ALA 109 CO 0.03 0.49 -0.23 0.00 0.00 0.00 0.00 175.76 176.05 1afu s GLU 111 N -1.80 1.33 0.02 0.00 -1.05 -0.80 -4.91 118.70 111.49 1afu s GLU 111 Ca 0.09 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1afu s GLU 111 Cb -0.10 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1afu s GLU 111 CO 0.04 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.07 1afu n GLY 112 N -0.38 -3.43 2.62 -3.83 0.00 -1.26 -2.23 105.19 96.67 1afu n GLY 112 Ca -0.13 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 1afu n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1afu s ASN 113 N -1.40 3.14 0.87 1.61 2.47 -1.26 -2.80 114.94 117.56 1afu s ASN 113 Ca 0.00 -1.05 -0.10 0.00 0.42 0.00 0.00 52.86 52.12 1afu s ASN 113 Cb 0.00 -0.43 0.12 0.00 -1.45 0.00 0.00 41.25 39.49 1afu s ASN 113 CO 0.00 -0.39 1.12 -2.16 -3.72 0.00 0.00 177.10 171.96 1afu s PRO 114 N 2.01 1.43 -0.55 0.43 0.04 -1.26 -5.09 135.00 132.01 1afu s PRO 114 Ca 0.05 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 1afu s PRO 114 Cb -0.16 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1afu s PRO 114 CO -0.22 -2.29 1.14 -0.47 0.04 0.00 0.00 177.00 175.20 1afu s TYR 115 N -2.75 2.68 0.22 0.56 5.04 -1.12 -4.89 117.35 117.10 1afu s TYR 115 Ca 0.65 0.42 0.05 0.00 -2.44 0.00 0.00 57.07 55.75 1afu s TYR 115 Cb -0.21 -4.43 -0.05 0.00 0.35 0.00 0.00 41.96 37.63 1afu s TYR 115 CO 0.57 -1.48 -0.05 0.14 -1.34 0.00 0.00 175.55 173.39 1afu s VAL 116 N 4.69 1.29 0.15 3.14 -7.23 -0.95 -4.87 120.40 116.62 1afu s VAL 116 Ca 0.42 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 58.20 1afu s VAL 116 Cb -0.08 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.54 1afu s VAL 116 CO 0.26 -0.43 1.38 -2.84 -0.31 0.00 0.00 175.10 173.16 1afu s PRO 117 N -3.78 4.33 0.00 4.82 0.02 -1.26 -1.91 135.00 137.22 1afu s PRO 117 Ca 0.26 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1afu s PRO 117 Cb 0.04 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1afu s PRO 117 CO 0.08 -0.40 0.07 1.33 -0.33 0.00 0.00 177.00 177.75 1afu n VAL 118 N 3.52 0.00 -3.64 3.83 0.24 -0.07 -4.48 118.33 117.74 1afu n VAL 118 Ca 0.10 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.86 1afu n VAL 118 Cb 0.42 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 1afu n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1afu s HIS 119 N -0.72 -0.87 -0.19 6.34 5.65 -1.19 -4.67 115.29 119.64 1afu s HIS 119 Ca 0.00 1.98 -0.20 0.00 0.25 0.00 0.00 55.06 57.09 1afu s HIS 119 Cb 0.00 0.39 -0.03 0.00 -1.18 0.00 0.00 32.58 31.76 1afu s HIS 119 CO 0.00 -0.43 0.58 0.12 -0.65 0.00 0.00 174.74 174.36 1afu s PHE 120 N 0.79 3.38 -0.24 3.88 5.36 -1.26 -1.01 117.98 128.87 1afu s PHE 120 Ca -0.03 0.87 -0.16 0.00 -0.96 0.00 0.00 56.93 56.64 1afu s PHE 120 Cb -0.05 -2.74 -0.13 0.00 -0.34 0.00 0.00 43.02 39.76 1afu s PHE 120 CO -0.06 -0.13 -0.18 -3.47 -1.46 0.00 0.00 175.22 169.92 1afu n ASP 121 N 4.88 1.92 -3.61 6.13 2.03 0.99 -4.93 116.55 123.95 1afu n ASP 121 Ca -0.03 0.38 -0.04 0.00 0.52 0.00 0.00 54.79 55.62 1afu n ASP 121 Cb 0.50 -0.86 -0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1afu n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afu s ALA 122 N -2.52 -1.55 0.01 -1.67 0.00 -1.01 -4.96 121.76 110.06 1afu s ALA 122 Ca -0.34 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1afu s ALA 122 Cb 0.11 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1afu s ALA 122 CO 0.50 -1.05 -0.07 -1.54 0.00 0.00 0.00 175.76 173.60 1afu s SER 123 N -3.06 0.86 0.00 0.00 1.04 -1.26 -0.00 113.70 111.28 1afu s SER 123 Ca 0.15 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1afu s SER 123 Cb -0.02 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1afu s SER 123 CO 0.04 0.02 0.00 1.33 0.98 0.00 0.00 173.24 175.61