#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c0c n GLU 2 N 0.00 0.00 0.00 -1.58 1.02 -1.26 -4.79 120.64 114.03 1c0c n GLU 2 Ca 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1c0c n GLU 2 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1c0c n GLU 2 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1c0c n THR 3 N 0.00 0.00 -0.06 2.62 -1.04 -1.26 -4.90 114.28 109.64 1c0c n THR 3 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1c0c n THR 3 Cb 0.43 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.92 1c0c n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c0c h ALA 4 N 0.00 0.01 -0.30 2.41 0.00 -1.93 -0.59 119.26 118.86 1c0c h ALA 4 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1c0c h ALA 4 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1c0c h ALA 4 CO 0.00 0.13 0.25 0.00 0.00 0.00 0.00 179.25 179.63 1c0c h ALA 5 N -0.89 2.15 0.07 0.00 0.00 -1.86 -0.06 119.26 118.67 1c0c h ALA 5 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c0c h ALA 5 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c0c h ALA 5 CO -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 179.25 178.80 1c0c h ALA 6 N 1.79 -0.10 -0.59 0.00 0.00 -1.89 -1.98 119.26 116.50 1c0c h ALA 6 Ca 0.14 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1c0c h ALA 6 Cb 0.64 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1c0c h ALA 6 CO -0.00 -0.19 -0.20 -0.22 0.00 0.00 0.00 179.25 178.64 1c0c h LYS 7 N -0.84 -0.05 -0.42 0.00 3.64 -0.07 0.39 116.57 119.23 1c0c h LYS 7 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1c0c h LYS 7 Cb 0.61 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1c0c h LYS 7 CO 0.02 -0.04 0.25 0.35 -2.27 0.00 0.00 179.45 177.76 1c0c h PHE 8 N -0.05 0.47 0.00 1.91 3.04 -1.09 -1.24 116.94 119.98 1c0c h PHE 8 Ca 0.27 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 1c0c h PHE 8 Cb 0.48 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1c0c h PHE 8 CO -0.53 0.28 -0.20 1.05 -2.02 0.00 0.00 178.31 176.89 1c0c h GLU 9 N 0.51 0.00 -0.03 1.11 4.11 -0.42 -0.53 114.58 119.34 1c0c h GLU 9 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 1c0c h GLU 9 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1c0c h GLU 9 CO -0.07 0.20 -0.00 -0.09 0.07 0.00 0.00 179.01 179.12 1c0c h ARG 10 N 0.00 0.05 0.01 1.06 2.43 0.88 -2.96 114.38 115.86 1c0c h ARG 10 Ca -0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1c0c h ARG 10 Cb 0.37 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1c0c h ARG 10 CO 0.03 0.39 -0.37 1.96 -1.51 0.00 0.00 179.97 180.47 1c0c h GLN 11 N -0.28 0.02 0.00 0.20 4.20 -1.25 -3.42 115.11 114.57 1c0c h GLN 11 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1c0c h GLN 11 Cb 0.37 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1c0c h GLN 11 CO 0.00 1.02 -1.06 0.72 -0.67 0.00 0.00 178.83 178.84 1c0c n HIS 12 N -4.53 0.00 -3.53 2.96 8.25 -0.22 -4.65 115.22 113.51 1c0c n HIS 12 Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.94 1c0c n HIS 12 Cb 0.55 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 1c0c n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1c0c s MET 13 N -2.95 4.26 -0.46 -0.41 -1.94 -1.12 0.14 119.30 116.83 1c0c s MET 13 Ca 0.06 0.10 0.06 0.00 -1.71 0.00 0.00 55.69 54.20 1c0c s MET 13 Cb 0.15 -3.43 0.22 0.00 2.01 0.00 0.00 34.83 33.78 1c0c s MET 13 CO 0.83 0.23 0.67 -3.47 -0.01 0.00 0.00 175.02 173.27 1c0c n ASP 14 N 3.61 -1.78 -3.43 3.03 2.03 -0.43 -4.88 116.55 114.69 1c0c n ASP 14 Ca -0.12 -2.92 -0.39 0.00 0.52 0.00 0.00 54.79 51.88 1c0c n ASP 14 Cb 0.52 0.77 0.00 0.00 -0.72 0.00 0.00 41.12 41.69 1c0c n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1c0c n SER 15 N 2.00 7.66 0.00 1.67 7.64 -1.26 -3.91 113.62 127.42 1c0c n SER 15 Ca 0.17 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.67 1c0c n SER 15 Cb 0.57 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1c0c n SER 15 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1c0c n SER 16 N 0.89 0.97 -3.82 6.43 2.88 -1.26 -4.92 113.62 114.78 1c0c n SER 16 Ca 0.55 -0.23 -0.12 0.00 -1.33 0.00 0.00 58.87 57.74 1c0c n SER 16 Cb 0.27 0.65 -0.12 0.00 -0.75 0.00 0.00 64.21 64.27 1c0c n SER 16 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1c0c s THR 17 N -0.85 0.01 0.17 2.46 -1.32 -1.25 -5.04 115.64 109.83 1c0c s THR 17 Ca 0.00 -0.11 -0.12 0.00 -1.21 0.00 0.00 61.69 60.25 1c0c s THR 17 Cb 0.00 -0.29 0.08 0.00 -1.51 0.00 0.00 72.50 70.78 1c0c s THR 17 CO 0.00 -0.06 1.76 0.28 -2.21 0.00 0.00 174.62 174.39 1c0c h SER 18 N 5.61 0.77 0.00 8.08 0.02 -1.90 -3.44 113.55 122.68 1c0c h SER 18 Ca -0.26 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1c0c h SER 18 Cb 1.20 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1c0c h SER 18 CO 0.39 0.68 0.00 0.00 -1.14 0.00 0.00 176.83 176.77 1c0c n ALA 19 N -2.33 0.00 -3.15 3.77 0.00 -1.26 -4.75 120.51 112.79 1c0c n ALA 19 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1c0c n ALA 19 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 1c0c n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c0c s ALA 20 N -1.81 -2.50 -0.69 0.00 0.00 -1.26 -5.08 121.76 110.43 1c0c s ALA 20 Ca 0.00 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1c0c s ALA 20 Cb 0.00 -2.31 0.17 0.00 0.00 0.00 0.00 23.12 20.98 1c0c s ALA 20 CO 0.00 -1.48 0.49 0.45 0.00 0.00 0.00 175.76 175.22 1c0c s SER 21 N 2.87 5.07 0.00 0.00 0.15 -1.26 -4.71 113.70 115.82 1c0c s SER 21 Ca 0.16 -3.41 0.00 0.00 0.70 0.00 0.00 55.95 53.40 1c0c s SER 21 Cb -0.13 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1c0c s SER 21 CO -0.21 -0.20 0.00 -1.54 1.20 0.00 0.00 173.24 172.49 1c0c n SER 22 N 2.65 0.00 0.05 5.45 3.41 -1.26 -4.95 113.62 118.97 1c0c n SER 22 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1c0c n SER 22 Cb 0.35 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.74 1c0c n SER 22 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1c0c n SER 23 N 0.00 0.31 0.34 4.04 2.88 -1.26 -3.00 113.62 116.92 1c0c n SER 23 Ca 0.00 0.56 -0.18 0.00 -1.33 0.00 0.00 58.87 57.92 1c0c n SER 23 Cb 0.00 -0.63 -0.09 0.00 -0.75 0.00 0.00 64.21 62.74 1c0c n SER 23 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1c0c h ASN 24 N 0.00 -0.97 0.00 -3.46 -0.73 -1.92 -1.95 115.58 106.55 1c0c h ASN 24 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1c0c h ASN 24 Cb 0.41 0.29 0.00 0.00 0.27 0.00 0.00 38.32 39.29 1c0c h ASN 24 CO 0.00 -0.59 0.00 0.00 -0.37 0.00 0.00 177.43 176.47 1c0c n TYR 25 N -5.51 0.00 -0.25 0.67 9.36 -1.16 -1.03 117.16 119.23 1c0c n TYR 25 Ca -0.13 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.13 1c0c n TYR 25 Cb 0.40 -0.32 0.12 0.00 -0.63 0.00 0.00 39.34 38.91 1c0c n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1c0c h ASN 27 N 0.05 0.86 -0.16 0.00 2.35 -0.51 -1.97 115.58 116.21 1c0c h ASN 27 Ca 0.38 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1c0c h ASN 27 Cb 0.63 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1c0c h ASN 27 CO -0.69 0.75 -0.39 0.06 -1.65 0.00 0.00 177.43 175.50 1c0c h GLN 28 N 0.92 0.54 0.68 0.81 3.07 0.02 -3.02 115.11 118.13 1c0c h GLN 28 Ca 0.23 -0.38 -0.03 0.00 0.09 0.00 0.00 58.65 58.57 1c0c h GLN 28 Cb 0.11 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1c0c h GLN 28 CO -0.03 0.99 -0.50 0.52 0.09 0.00 0.00 178.83 179.90 1c0c h MET 29 N 0.18 -1.10 -0.92 0.06 2.86 -0.68 1.20 114.93 116.54 1c0c h MET 29 Ca -0.01 0.07 0.23 0.00 -2.06 0.00 0.00 59.70 57.94 1c0c h MET 29 Cb 1.01 0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.86 1c0c h MET 29 CO 0.09 -0.73 0.62 0.52 1.06 0.00 0.00 176.91 178.47 1c0c h MET 30 N -1.14 0.26 -0.03 1.72 2.86 -1.47 0.41 114.93 117.55 1c0c h MET 30 Ca -0.09 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1c0c h MET 30 Cb 0.94 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1c0c h MET 30 CO 0.03 0.17 -0.24 -0.22 1.06 0.00 0.00 176.91 177.71 1c0c h LYS 31 N 0.27 0.21 0.03 1.72 3.64 -1.24 0.91 116.57 122.11 1c0c h LYS 31 Ca 0.47 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1c0c h LYS 31 Cb 1.40 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1c0c h LYS 31 CO -0.14 0.88 -0.05 0.77 -2.27 0.00 0.00 179.45 178.64 1c0c h SER 32 N -0.38 -0.13 0.00 4.20 0.02 0.37 0.68 113.55 118.31 1c0c h SER 32 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1c0c h SER 32 Cb 0.94 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1c0c h SER 32 CO 0.05 -0.08 0.00 0.54 -1.14 0.00 0.00 176.83 176.20 1c0c n ARG 33 N -5.16 0.83 -3.15 3.45 5.12 0.12 -4.82 116.66 113.06 1c0c n ARG 33 Ca -0.07 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.67 1c0c n ARG 33 Cb 0.09 -1.17 -0.01 0.00 -1.16 0.00 0.00 32.46 30.21 1c0c n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1c0c n ASN 34 N -0.27 -2.72 0.07 0.55 3.02 0.23 -4.78 115.26 111.38 1c0c n ASN 34 Ca 0.00 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.49 1c0c n ASN 34 Cb 0.08 -2.32 0.45 0.00 -0.61 0.00 0.00 39.78 37.38 1c0c n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1c0c n LEU 35 N -3.29 0.46 -0.11 3.41 4.77 0.31 -1.04 117.00 121.51 1c0c n LEU 35 Ca -0.01 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1c0c n LEU 35 Cb 0.53 -0.48 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 1c0c n LEU 35 CO 0.38 -0.30 0.57 0.35 -1.33 0.00 0.00 177.39 177.07 1c0c n THR 36 N -1.97 0.00 -1.67 -5.08 -2.24 -1.02 -3.56 114.28 98.74 1c0c n THR 36 Ca 0.04 -0.06 -0.48 0.00 -2.27 0.00 0.00 64.05 61.29 1c0c n THR 36 Cb 0.29 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 1c0c n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1c0c n LYS 37 N -1.10 2.13 0.00 -0.78 4.81 -0.21 -3.31 118.16 119.70 1c0c n LYS 37 Ca 0.09 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1c0c n LYS 37 Cb 0.34 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1c0c n LYS 37 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1c0c n ASP 38 N 5.14 0.00 -3.67 3.14 8.00 -1.26 -4.49 116.55 123.41 1c0c n ASP 38 Ca 0.20 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.55 1c0c n ASP 38 Cb 0.29 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.24 1c0c n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1c0c s ARG 39 N 0.00 0.08 0.05 -1.24 3.52 -1.21 -4.93 118.95 115.22 1c0c s ARG 39 Ca 0.00 0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 1c0c s ARG 39 Cb 0.00 -0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.17 1c0c s ARG 39 CO 0.00 -0.30 1.07 0.00 -0.81 0.00 0.00 175.30 175.27 1c0c s LYS 41 N 0.78 4.44 0.09 0.00 -2.85 -1.23 -4.95 119.74 116.02 1c0c s LYS 41 Ca 0.54 2.08 -0.24 0.00 -1.00 0.00 0.00 55.97 57.35 1c0c s LYS 41 Cb -0.25 -3.11 -0.08 0.00 -2.06 0.00 0.00 37.83 32.32 1c0c s LYS 41 CO 0.29 -0.07 1.39 -1.35 0.10 0.00 0.00 175.35 175.71 1c0c h PRO 42 N 3.64 -0.31 -5.20 1.78 0.11 -1.95 -3.44 132.00 126.63 1c0c h PRO 42 Ca -0.48 0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.24 1c0c h PRO 42 Cb 1.22 0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.17 1c0c h PRO 42 CO 0.67 -0.21 -0.78 0.54 -0.21 0.00 0.00 178.00 178.01 1c0c s VAL 43 N -4.89 1.02 -0.18 3.15 0.11 -1.26 -0.89 120.40 117.45 1c0c s VAL 43 Ca -0.10 -1.07 -0.14 0.00 -2.93 0.00 0.00 61.98 57.74 1c0c s VAL 43 Cb 0.06 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1c0c s VAL 43 CO 0.44 -0.10 0.46 0.21 -3.33 0.00 0.00 175.10 172.77 1c0c s ASN 44 N -1.32 -0.52 -0.12 3.54 2.47 -0.49 -4.99 114.94 113.51 1c0c s ASN 44 Ca -0.01 0.95 -0.02 0.00 0.42 0.00 0.00 52.86 54.20 1c0c s ASN 44 Cb -0.08 0.92 -0.03 0.00 -1.45 0.00 0.00 41.25 40.61 1c0c s ASN 44 CO 0.01 -0.17 -0.02 0.28 -3.72 0.00 0.00 177.10 173.48 1c0c s THR 45 N 0.62 4.05 -0.15 -5.21 -1.32 -1.26 0.43 115.64 112.79 1c0c s THR 45 Ca -0.03 -0.32 -0.02 0.00 -1.21 0.00 0.00 61.69 60.10 1c0c s THR 45 Cb -0.05 -2.73 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 1c0c s THR 45 CO -0.04 0.55 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.48 1c0c s PHE 46 N -0.26 2.92 -0.10 9.09 0.08 -0.26 -4.27 117.98 125.18 1c0c s PHE 46 Ca 0.05 -0.54 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 1c0c s PHE 46 Cb -0.13 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1c0c s PHE 46 CO 0.02 -0.18 0.64 0.08 -0.10 0.00 0.00 175.22 175.67 1c0c s VAL 47 N 0.52 5.08 -0.40 -0.44 1.01 0.37 -1.44 120.40 125.10 1c0c s VAL 47 Ca -0.06 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.29 1c0c s VAL 47 Cb -0.15 -3.97 0.57 0.00 0.00 0.00 0.00 36.38 32.83 1c0c s VAL 47 CO 0.03 0.25 1.52 1.41 0.00 0.00 0.00 175.10 178.31 1c0c n HIS 48 N 3.95 1.83 -4.50 5.22 -0.00 0.11 -1.31 115.22 120.52 1c0c n HIS 48 Ca -0.03 -0.89 -0.31 0.00 -0.00 0.00 0.00 57.72 56.49 1c0c n HIS 48 Cb 0.51 -0.54 -0.11 0.00 -0.00 0.00 0.00 29.99 29.85 1c0c n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1c0c s GLU 49 N -2.36 2.23 0.14 -0.41 2.02 -1.26 -4.61 118.70 114.45 1c0c s GLU 49 Ca 0.41 -0.91 -0.31 0.00 0.02 0.00 0.00 54.97 54.18 1c0c s GLU 49 Cb 0.33 -2.31 -0.18 0.00 0.10 0.00 0.00 34.13 32.07 1c0c s GLU 49 CO 0.10 0.55 0.68 0.45 0.02 0.00 0.00 175.26 177.07 1c0c n SER 50 N 1.36 -0.89 -0.34 -0.19 2.88 -1.26 -4.55 113.62 110.63 1c0c n SER 50 Ca -0.15 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.67 1c0c n SER 50 Cb 0.52 -0.94 0.35 0.00 -0.75 0.00 0.00 64.21 63.40 1c0c n SER 50 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1c0c h LEU 51 N 1.58 0.73 -0.58 2.46 5.85 -1.97 0.11 115.31 123.49 1c0c h LEU 51 Ca -0.35 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1c0c h LEU 51 Cb 1.44 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1c0c h LEU 51 CO 0.59 0.25 -0.20 0.00 -0.34 0.00 0.00 178.44 178.75 1c0c h ALA 52 N 1.64 0.78 -0.97 1.25 0.00 -1.99 -0.02 119.26 119.95 1c0c h ALA 52 Ca 0.57 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1c0c h ALA 52 Cb 0.96 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1c0c h ALA 52 CO -0.35 0.66 0.63 -0.44 0.00 0.00 0.00 179.25 179.75 1c0c h ASP 53 N 0.80 1.05 0.54 0.00 3.32 -1.18 0.18 116.42 121.14 1c0c h ASP 53 Ca 0.11 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1c0c h ASP 53 Cb 0.75 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1c0c h ASP 53 CO 0.06 0.71 -0.72 0.58 -1.72 0.00 0.00 179.24 178.15 1c0c h VAL 54 N 1.21 1.46 -0.18 -1.35 2.07 -0.71 -3.03 116.25 115.72 1c0c h VAL 54 Ca 0.39 -2.31 -0.20 0.00 0.82 0.00 0.00 66.70 65.41 1c0c h VAL 54 Cb 0.03 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1c0c h VAL 54 CO -0.13 0.67 -0.65 1.56 0.02 0.00 0.00 177.57 179.03 1c0c h GLN 55 N 0.10 0.77 -0.97 1.57 4.20 -0.52 -3.11 115.11 117.14 1c0c h GLN 55 Ca -0.02 -0.58 0.33 0.00 0.06 0.00 0.00 58.65 58.44 1c0c h GLN 55 Cb 1.27 0.11 -0.18 0.00 0.30 0.00 0.00 27.48 28.97 1c0c h GLN 55 CO 0.10 1.20 0.23 0.00 -0.67 0.00 0.00 178.83 179.70 1c0c n ALA 56 N -2.58 0.71 -0.18 3.87 0.00 0.60 0.92 120.51 123.85 1c0c n ALA 56 Ca -0.07 1.02 0.18 0.00 0.00 0.00 0.00 53.44 54.58 1c0c n ALA 56 Cb 0.68 -0.86 0.54 0.00 0.00 0.00 0.00 19.45 19.81 1c0c n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c0c h VAL 57 N 0.00 0.73 -0.03 0.00 2.07 -1.48 0.16 116.25 117.71 1c0c h VAL 57 Ca 0.69 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 68.10 1c0c h VAL 57 Cb 1.63 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1c0c h VAL 57 CO -0.85 0.06 0.38 0.00 0.02 0.00 0.00 177.57 177.19 1c0c n SER 59 N -2.92 2.42 0.00 0.00 3.41 0.56 -4.94 113.62 112.14 1c0c n SER 59 Ca -0.01 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 1c0c n SER 59 Cb 0.43 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1c0c n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c0c n GLN 60 N 0.93 0.00 -2.37 4.33 6.02 -0.25 -5.04 117.38 121.00 1c0c n GLN 60 Ca 0.27 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.83 1c0c n GLN 60 Cb 0.46 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.70 1c0c n GLN 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1c0c s LYS 61 N 3.67 4.12 -0.31 -1.09 1.02 -1.08 -4.87 119.74 121.20 1c0c s LYS 61 Ca 0.00 1.60 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 1c0c s LYS 61 Cb 0.00 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1c0c s LYS 61 CO 0.00 -0.86 1.16 1.21 -0.92 0.00 0.00 175.35 175.94 1c0c s ASN 62 N 2.44 6.84 0.04 2.83 3.04 -1.26 0.68 114.94 129.55 1c0c s ASN 62 Ca 0.58 1.13 0.00 0.00 0.04 0.00 0.00 52.86 54.60 1c0c s ASN 62 Cb -0.22 -2.54 -0.00 0.00 -1.54 0.00 0.00 41.25 36.95 1c0c s ASN 62 CO 0.19 -0.95 0.00 1.33 -3.04 0.00 0.00 177.10 174.63 1c0c n VAL 63 N 5.97 0.00 -3.70 -5.21 0.24 0.19 -4.92 118.33 110.90 1c0c n VAL 63 Ca 0.13 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.34 61.88 1c0c n VAL 63 Cb 0.47 0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 32.76 1c0c n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c0c s ALA 64 N -2.07 3.17 1.00 2.33 0.00 -1.26 -2.01 121.76 122.93 1c0c s ALA 64 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 1c0c s ALA 64 Cb 0.00 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 20.88 1c0c s ALA 64 CO 0.00 -0.96 0.23 0.00 0.00 0.00 0.00 175.76 175.03 1c0c n LYS 66 N -1.57 1.23 0.00 0.00 5.02 -1.26 -4.39 118.16 117.18 1c0c n LYS 66 Ca 0.05 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1c0c n LYS 66 Cb 0.56 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1c0c n LYS 66 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1c0c n ASN 67 N 0.70 0.00 0.01 4.39 0.23 -1.26 -5.05 115.26 114.29 1c0c n ASN 67 Ca 0.10 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1c0c n ASN 67 Cb 0.60 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.30 1c0c n ASN 67 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1c0c h GLY 68 N 0.00 -0.03 0.00 4.83 0.00 -1.98 -3.51 103.07 102.38 1c0c h GLY 68 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1c0c h GLY 68 CO 0.00 -0.01 0.00 -0.18 0.00 0.00 0.00 176.54 176.35 1c0c n GLN 69 N -2.11 -0.28 0.00 4.80 7.27 -1.26 -4.81 117.38 120.99 1c0c n GLN 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1c0c n GLN 69 Cb 0.01 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.66 1c0c n GLN 69 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1c0c n THR 70 N 8.62 0.00 -0.19 1.69 5.66 -0.85 -4.05 114.28 125.16 1c0c n THR 70 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1c0c n THR 70 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1c0c n THR 70 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1c0c n ASN 71 N 0.00 -0.30 -4.33 1.09 4.05 -1.26 -4.91 115.26 109.60 1c0c n ASN 71 Ca 0.00 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.68 1c0c n ASN 71 Cb 0.00 -0.05 -0.14 0.00 1.23 0.00 0.00 39.78 40.82 1c0c n ASN 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1c0c s TYR 73 N 1.30 1.84 -0.12 0.00 1.51 0.18 0.57 117.35 122.63 1c0c s TYR 73 Ca 0.04 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1c0c s TYR 73 Cb -0.14 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1c0c s TYR 73 CO -0.02 -0.09 0.00 -1.14 -1.11 0.00 0.00 175.55 173.20 1c0c s GLN 74 N -0.30 3.37 0.03 -0.62 0.74 0.21 -0.68 119.66 122.41 1c0c s GLN 74 Ca 0.03 -0.42 -0.30 0.00 0.05 0.00 0.00 55.36 54.72 1c0c s GLN 74 Cb -0.09 -2.91 -0.07 0.00 1.10 0.00 0.00 33.01 31.03 1c0c s GLN 74 CO 0.00 0.50 1.62 -1.54 -0.55 0.00 0.00 175.29 175.32 1c0c s SER 75 N -0.31 6.65 0.03 6.67 1.04 0.37 -2.63 113.70 125.53 1c0c s SER 75 Ca 0.07 2.38 -0.06 0.00 0.48 0.00 0.00 55.95 58.82 1c0c s SER 75 Cb -0.12 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 1c0c s SER 75 CO 0.02 -0.87 1.10 1.88 0.98 0.00 0.00 173.24 176.35 1c0c h TYR 76 N 8.56 -0.34 0.00 5.02 0.05 -1.95 -3.43 116.97 124.88 1c0c h TYR 76 Ca -0.41 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.39 1c0c h TYR 76 Cb 1.19 0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1c0c h TYR 76 CO 0.80 -0.07 0.00 0.45 -1.05 0.00 0.00 178.16 178.29 1c0c n SER 77 N -3.38 0.00 -4.37 3.88 2.88 -1.26 -5.08 113.62 106.30 1c0c n SER 77 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1c0c n SER 77 Cb 0.05 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 1c0c n SER 77 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1c0c s THR 78 N 4.27 2.92 0.08 2.46 -1.32 -1.26 -4.40 115.64 118.39 1c0c s THR 78 Ca 0.00 -0.72 0.02 0.00 -1.21 0.00 0.00 61.69 59.78 1c0c s THR 78 Cb 0.00 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1c0c s THR 78 CO 0.00 0.54 0.11 -0.04 -2.21 0.00 0.00 174.62 173.02 1c0c s MET 79 N 0.17 3.02 -0.71 7.08 -1.94 0.13 -4.93 119.30 122.11 1c0c s MET 79 Ca -0.08 -0.64 -0.27 0.00 -1.71 0.00 0.00 55.69 52.99 1c0c s MET 79 Cb -0.15 -2.80 0.03 0.00 2.01 0.00 0.00 34.83 33.92 1c0c s MET 79 CO 0.05 0.57 1.27 0.45 -0.01 0.00 0.00 175.02 177.35 1c0c s SER 80 N -2.45 6.21 0.14 3.03 0.15 -1.26 -2.77 113.70 116.74 1c0c s SER 80 Ca 0.31 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.67 1c0c s SER 80 Cb -0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1c0c s SER 80 CO 0.23 -1.78 0.03 -0.63 1.20 0.00 0.00 173.24 172.30 1c0c s ILE 81 N 5.61 4.01 -0.07 6.45 1.09 -1.20 0.10 121.20 137.18 1c0c s ILE 81 Ca 0.37 -1.17 0.01 0.00 -1.10 0.00 0.00 60.65 58.76 1c0c s ILE 81 Cb -0.08 -2.98 0.02 0.00 -1.06 0.00 0.00 42.46 38.36 1c0c s ILE 81 CO 0.17 -0.01 -0.09 -0.89 -0.10 0.00 0.00 174.94 174.01 1c0c s THR 82 N -1.56 0.98 -0.19 2.92 2.01 -0.52 -2.17 115.64 117.11 1c0c s THR 82 Ca 0.27 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 1c0c s THR 82 Cb -0.10 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 1c0c s THR 82 CO 0.20 0.33 0.15 -0.62 -0.69 0.00 0.00 174.62 173.99 1c0c s ASP 83 N 0.96 6.25 -0.31 3.53 -1.08 1.00 -1.10 116.67 125.92 1c0c s ASP 83 Ca -0.09 0.28 -0.09 0.00 -0.52 0.00 0.00 52.55 52.13 1c0c s ASP 83 Cb -0.15 -2.10 -0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1c0c s ASP 83 CO 0.00 0.18 0.14 0.00 0.52 0.00 0.00 175.17 176.02 1c0c s ARG 85 N 1.59 3.34 0.63 0.00 3.52 -0.42 -1.40 118.95 126.22 1c0c s ARG 85 Ca 0.04 -0.64 -0.17 0.00 -0.13 0.00 0.00 55.73 54.82 1c0c s ARG 85 Cb -0.17 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1c0c s ARG 85 CO 0.06 -0.20 1.20 -2.00 -0.81 0.00 0.00 175.30 173.54 1c0c s GLU 86 N 1.46 2.76 0.22 5.12 2.12 -0.07 0.17 118.70 130.48 1c0c s GLU 86 Ca 0.06 1.76 -0.22 0.00 0.36 0.00 0.00 54.97 56.93 1c0c s GLU 86 Cb -0.14 -1.91 0.04 0.00 0.26 0.00 0.00 34.13 32.38 1c0c s GLU 86 CO -0.04 -1.36 0.72 0.99 -0.54 0.00 0.00 175.26 175.03 1c0c s THR 87 N -1.77 0.00 0.00 -1.70 2.01 0.21 -4.80 115.64 109.60 1c0c s THR 87 Ca 0.76 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1c0c s THR 87 Cb -0.29 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1c0c s THR 87 CO 0.37 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1c0c n GLY 88 N -0.43 2.27 0.00 4.40 0.00 -1.26 -2.43 105.19 107.74 1c0c n GLY 88 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1c0c n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c0c n SER 89 N 1.72 -0.24 0.00 1.61 3.41 -1.26 -5.11 113.62 113.75 1c0c n SER 89 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1c0c n SER 89 Cb 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1c0c n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1c0c n SER 90 N -0.11 0.00 -4.20 4.04 7.64 -1.26 -5.00 113.62 114.73 1c0c n SER 90 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1c0c n SER 90 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1c0c n SER 90 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1c0c n LYS 91 N 0.00 0.84 -3.39 1.43 2.85 -1.26 -4.41 118.16 114.22 1c0c n LYS 91 Ca 0.00 -1.86 0.01 0.00 -1.05 0.00 0.00 58.31 55.41 1c0c n LYS 91 Cb 0.00 -3.42 0.01 0.00 -0.65 0.00 0.00 35.03 30.97 1c0c n LYS 91 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1c0c n TYR 92 N 13.82 -0.50 0.00 5.58 4.01 -1.26 -4.99 117.16 133.82 1c0c n TYR 92 Ca 0.45 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1c0c n TYR 92 Cb 0.45 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 1c0c n TYR 92 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1c0c n PRO 93 N -0.65 0.00 -2.32 -0.72 -0.02 -1.26 -4.10 135.00 125.92 1c0c n PRO 93 Ca 0.02 0.06 -0.38 0.00 -2.02 0.00 0.00 63.50 61.18 1c0c n PRO 93 Cb 0.43 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1c0c n PRO 93 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1c0c s ASN 94 N -1.88 5.80 -0.13 2.55 2.47 -1.26 -4.94 114.94 117.55 1c0c s ASN 94 Ca 0.00 -0.42 -0.03 0.00 0.42 0.00 0.00 52.86 52.83 1c0c s ASN 94 Cb 0.00 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.30 1c0c s ASN 94 CO 0.00 -2.08 0.06 0.00 -3.72 0.00 0.00 177.10 171.36 1c0c s ALA 96 N 2.05 2.22 0.08 0.00 0.00 -1.02 -5.00 121.76 120.09 1c0c s ALA 96 Ca 0.02 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1c0c s ALA 96 Cb -0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1c0c s ALA 96 CO -0.07 0.49 -0.15 0.71 0.00 0.00 0.00 175.76 176.74 1c0c s TYR 97 N -1.07 1.32 -0.07 0.00 2.02 -1.26 0.68 117.35 118.95 1c0c s TYR 97 Ca 0.12 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1c0c s TYR 97 Cb -0.10 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1c0c s TYR 97 CO 0.05 0.08 -0.09 -1.59 -1.57 0.00 0.00 175.55 172.43 1c0c s LYS 98 N -1.75 2.80 -0.45 -0.62 -2.85 0.13 -4.62 119.74 112.39 1c0c s LYS 98 Ca -0.00 -0.60 -0.16 0.00 -1.00 0.00 0.00 55.97 54.21 1c0c s LYS 98 Cb -0.10 -2.56 0.05 0.00 -2.06 0.00 0.00 37.83 33.16 1c0c s LYS 98 CO 0.03 0.58 0.38 0.99 0.10 0.00 0.00 175.35 177.43 1c0c s THR 99 N -0.60 5.21 -0.21 3.79 2.01 -1.26 -1.30 115.64 123.28 1c0c s THR 99 Ca 0.09 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 1c0c s THR 99 Cb -0.12 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1c0c s THR 99 CO 0.02 -0.49 0.08 0.28 -0.69 0.00 0.00 174.62 173.81 1c0c s THR 100 N 1.76 4.77 -0.22 -0.82 -1.32 -0.83 -4.67 115.64 114.31 1c0c s THR 100 Ca 0.06 -0.03 -0.05 0.00 -1.21 0.00 0.00 61.69 60.46 1c0c s THR 100 Cb -0.22 -3.18 -0.02 0.00 -1.51 0.00 0.00 72.50 67.58 1c0c s THR 100 CO 0.09 0.41 -0.02 -1.58 -2.21 0.00 0.00 174.62 171.31 1c0c s GLN 101 N 0.77 3.49 0.52 7.08 0.74 -1.26 -0.00 119.66 130.99 1c0c s GLN 101 Ca 0.04 -0.58 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1c0c s GLN 101 Cb -0.13 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 30.93 1c0c s GLN 101 CO 0.02 -0.12 0.26 0.00 -0.55 0.00 0.00 175.29 174.90 1c0c s ALA 102 N 1.32 4.24 -0.44 1.58 0.00 -0.92 -5.01 121.76 122.53 1c0c s ALA 102 Ca 0.04 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1c0c s ALA 102 Cb -0.14 -0.47 0.18 0.00 0.00 0.00 0.00 23.12 22.68 1c0c s ALA 102 CO -0.00 -0.29 0.38 0.09 0.00 0.00 0.00 175.76 175.93 1c0c n ASN 103 N -1.56 -0.03 -4.16 0.00 5.03 -1.26 -3.24 115.26 110.04 1c0c n ASN 103 Ca -0.07 -2.49 -0.26 0.00 0.87 0.00 0.00 54.58 52.63 1c0c n ASN 103 Cb 0.65 -0.58 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 1c0c n ASN 103 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1c0c n LYS 104 N 2.61 1.00 -4.21 3.52 5.02 -1.12 -4.81 118.16 120.17 1c0c n LYS 104 Ca 0.28 -2.94 -0.27 0.00 -2.02 0.00 0.00 58.31 53.36 1c0c n LYS 104 Cb 0.47 0.73 -0.08 0.00 -0.02 0.00 0.00 35.03 36.13 1c0c n LYS 104 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1c0c s HIS 105 N -2.43 2.81 0.08 2.13 -3.43 -1.26 0.18 115.29 113.37 1c0c s HIS 105 Ca 0.03 -0.14 0.05 0.00 -0.80 0.00 0.00 55.06 54.20 1c0c s HIS 105 Cb -0.00 -1.38 -0.04 0.00 -1.43 0.00 0.00 32.58 29.73 1c0c s HIS 105 CO 0.02 0.50 -0.03 0.96 -2.00 0.00 0.00 174.74 174.20 1c0c s ILE 106 N -1.63 3.86 -0.31 -5.38 -0.00 -1.26 -1.84 121.20 114.64 1c0c s ILE 106 Ca 0.26 -1.02 -0.00 0.00 -0.00 0.00 0.00 60.65 59.89 1c0c s ILE 106 Cb -0.10 -2.82 0.07 0.00 -0.00 0.00 0.00 42.46 39.61 1c0c s ILE 106 CO 0.17 0.15 0.01 -0.63 -0.00 0.00 0.00 174.94 174.64 1c0c s ILE 107 N -1.26 2.76 0.32 8.37 1.01 -0.81 -0.48 121.20 131.12 1c0c s ILE 107 Ca 0.24 -1.64 0.10 0.00 0.00 0.00 0.00 60.65 59.35 1c0c s ILE 107 Cb -0.12 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 1c0c s ILE 107 CO 0.16 -0.23 -0.08 0.68 0.00 0.00 0.00 174.94 175.48 1c0c s VAL 108 N 1.16 2.52 -0.03 2.92 -7.23 0.14 -1.26 120.40 118.63 1c0c s VAL 108 Ca -0.02 -2.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.04 1c0c s VAL 108 Cb -0.20 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1c0c s VAL 108 CO -0.03 -0.26 -0.17 0.00 -0.31 0.00 0.00 175.10 174.33 1c0c s ALA 109 N -2.53 2.58 -0.04 1.32 0.00 -0.55 0.49 121.76 123.03 1c0c s ALA 109 Ca 0.33 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1c0c s ALA 109 Cb -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1c0c s ALA 109 CO 0.17 0.56 -0.11 0.00 0.00 0.00 0.00 175.76 176.38 1c0c s GLU 111 N 0.33 2.52 0.71 0.00 0.41 -0.20 -4.92 118.70 117.54 1c0c s GLU 111 Ca -0.06 -1.82 -0.11 0.00 -0.41 0.00 0.00 54.97 52.57 1c0c s GLU 111 Cb -0.11 -3.94 0.01 0.00 -1.78 0.00 0.00 34.13 28.31 1c0c s GLU 111 CO 0.01 -1.20 1.06 0.20 -0.49 0.00 0.00 175.26 174.85 1c0c s GLY 112 N 2.60 1.66 0.00 -1.39 0.00 -1.26 -2.59 107.32 106.34 1c0c s GLY 112 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1c0c s GLY 112 CO -0.01 0.35 0.00 1.16 0.00 0.00 0.00 173.10 174.60 1c0c n ASN 113 N -3.15 0.00 -4.75 1.64 0.23 -1.26 -4.75 115.26 103.22 1c0c n ASN 113 Ca 0.07 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.83 1c0c n ASN 113 Cb 0.54 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.37 1c0c n ASN 113 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1c0c s PRO 114 N 0.00 1.33 0.21 -0.53 0.04 -1.26 -5.13 135.00 129.66 1c0c s PRO 114 Ca 0.00 0.58 -0.32 0.00 0.04 0.00 0.00 61.00 61.30 1c0c s PRO 114 Cb 0.00 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 1c0c s PRO 114 CO 0.00 -2.13 1.65 0.71 0.04 0.00 0.00 177.00 177.26 1c0c s TYR 115 N -3.09 2.94 -0.08 0.56 1.51 -1.26 -5.00 117.35 112.92 1c0c s TYR 115 Ca 0.63 0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 57.17 1c0c s TYR 115 Cb -0.16 -4.05 0.04 0.00 -0.11 0.00 0.00 41.96 37.68 1c0c s TYR 115 CO 0.55 -3.87 0.18 0.14 -1.11 0.00 0.00 175.55 171.44 1c0c s VAL 116 N 0.96 -0.12 0.21 0.71 -7.23 -1.07 -4.94 120.40 108.93 1c0c s VAL 116 Ca 0.71 0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.80 1c0c s VAL 116 Cb -0.47 -0.30 -0.08 0.00 0.56 0.00 0.00 36.38 36.08 1c0c s VAL 116 CO 0.34 0.09 1.14 -2.16 -0.31 0.00 0.00 175.10 174.20 1c0c s PRO 117 N 1.54 4.56 0.00 4.82 0.04 -1.26 -1.04 135.00 143.67 1c0c s PRO 117 Ca -0.06 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1c0c s PRO 117 Cb -0.11 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1c0c s PRO 117 CO -0.07 0.05 0.00 1.33 0.04 0.00 0.00 177.00 178.35 1c0c n VAL 118 N 2.05 0.00 -3.79 -0.36 0.24 -0.30 -4.32 118.33 111.86 1c0c n VAL 118 Ca 0.02 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.08 1c0c n VAL 118 Cb 0.45 -0.80 -0.17 0.00 -1.47 0.00 0.00 33.84 31.85 1c0c n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1c0c s HIS 119 N -1.84 0.83 -0.58 6.34 5.65 -1.21 -4.16 115.29 120.32 1c0c s HIS 119 Ca 0.00 -0.33 -0.25 0.00 0.25 0.00 0.00 55.06 54.73 1c0c s HIS 119 Cb 0.00 -0.89 0.04 0.00 -1.18 0.00 0.00 32.58 30.55 1c0c s HIS 119 CO 0.00 -0.39 0.99 0.12 -0.65 0.00 0.00 174.74 174.81 1c0c s PHE 120 N 1.92 2.73 0.00 3.88 5.36 -1.26 -1.49 117.98 129.12 1c0c s PHE 120 Ca 0.04 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1c0c s PHE 120 Cb -0.13 -4.19 0.00 0.00 -0.34 0.00 0.00 43.02 38.37 1c0c s PHE 120 CO -0.06 -1.46 0.00 -3.47 -1.46 0.00 0.00 175.22 168.77 1c0c n ASP 121 N 7.72 0.00 -4.78 6.13 2.03 -0.39 -4.97 116.55 122.29 1c0c n ASP 121 Ca 0.02 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.99 1c0c n ASP 121 Cb 0.47 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1c0c n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c0c s ALA 122 N -3.56 2.61 -0.94 -1.67 0.00 -1.25 -4.87 121.76 112.09 1c0c s ALA 122 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1c0c s ALA 122 Cb 0.00 -3.30 0.31 0.00 0.00 0.00 0.00 23.12 20.13 1c0c s ALA 122 CO 0.00 -0.99 1.50 -1.13 0.00 0.00 0.00 175.76 175.14 1c0c n SER 123 N -1.99 6.35 0.00 0.00 3.41 -1.26 -1.93 113.62 118.19 1c0c n SER 123 Ca 0.10 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.12 1c0c n SER 123 Cb 0.52 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1c0c n SER 123 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40