#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl n VAL 5 N 0.00 3.93 -2.36 0.44 0.31 -1.26 -5.02 118.33 114.36 3abl n VAL 5 Ca 0.00 -3.94 -0.37 0.00 -0.01 0.00 0.00 64.34 60.02 3abl n VAL 5 Cb 0.00 -2.45 -0.02 0.00 -0.91 0.00 0.00 33.84 30.46 3abl n VAL 5 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3abl s VAL 6 N 2.73 3.33 0.19 2.52 1.01 -1.26 -5.09 120.40 123.84 3abl s VAL 6 Ca 0.47 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3abl s VAL 6 Cb 0.07 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3abl s VAL 6 CO 0.00 0.01 0.02 0.29 0.00 0.00 0.00 175.10 175.43 3abl n LYS 7 N -0.25 1.48 0.14 2.72 5.02 -1.26 -5.14 118.16 120.87 3abl n LYS 7 Ca 0.06 -1.38 -0.06 0.00 -2.02 0.00 0.00 58.31 54.91 3abl n LYS 7 Cb 0.48 0.34 -0.03 0.00 -0.02 0.00 0.00 35.03 35.80 3abl n LYS 7 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3abl h SER 8 N 0.43 -0.35 -0.63 4.39 0.02 -2.06 -3.35 113.55 112.00 3abl h SER 8 Ca -0.15 0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 60.43 3abl h SER 8 Cb 0.48 0.09 -0.15 0.00 0.14 0.00 0.00 62.40 62.96 3abl h SER 8 CO 0.25 -0.00 0.41 -1.84 -1.14 0.00 0.00 176.83 174.51 3abl n GLU 9 N -4.46 1.98 0.00 3.45 0.00 -1.26 -3.18 120.64 117.17 3abl n GLU 9 Ca -0.05 -1.79 0.06 0.00 0.00 0.00 0.00 57.16 55.37 3abl n GLU 9 Cb 0.16 -1.77 -0.02 0.00 0.00 0.00 0.00 31.44 29.81 3abl n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3abl n ASP 10 N 0.49 1.09 0.33 -1.84 9.92 -1.26 -4.28 116.55 121.01 3abl n ASP 10 Ca 0.36 -1.05 0.19 0.00 -0.53 0.00 0.00 54.79 53.76 3abl n ASP 10 Cb 0.58 0.64 1.02 0.00 -0.64 0.00 0.00 41.12 42.72 3abl n ASP 10 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3abl h TYR 11 N 0.92 0.00 -0.01 1.24 -0.00 -1.80 0.42 116.97 117.74 3abl h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3abl h TYR 11 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.10 3abl h TYR 11 CO 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 178.16 178.08 3abl n ALA 12 N -2.01 2.74 -2.73 0.10 0.00 -1.26 -4.93 120.51 112.42 3abl n ALA 12 Ca -0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.83 3abl n ALA 12 Cb 0.22 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 3abl n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3abl s LEU 13 N -2.30 3.56 0.25 0.00 1.43 0.15 -5.07 118.68 116.70 3abl s LEU 13 Ca 0.33 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 3abl s LEU 13 Cb 0.20 -2.23 -0.15 0.00 0.03 0.00 0.00 46.19 44.05 3abl s LEU 13 CO 0.43 0.11 1.06 -2.65 0.23 0.00 0.00 176.35 175.53 3abl n PRO 14 N 0.03 1.27 -4.42 1.29 -0.02 -1.26 -5.00 135.00 126.89 3abl n PRO 14 Ca -0.09 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 3abl n PRO 14 Cb 0.54 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 3abl n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3abl s SER 15 N -0.36 2.13 -0.08 2.55 1.04 -1.26 -4.91 113.70 112.81 3abl s SER 15 Ca 0.64 -1.41 -0.09 0.00 0.48 0.00 0.00 55.95 55.58 3abl s SER 15 Cb -0.76 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.34 3abl s SER 15 CO 0.57 -0.67 0.21 -0.47 0.98 0.00 0.00 173.24 173.87 3abl s TYR 16 N -3.40 3.63 0.02 5.02 5.04 -1.26 -4.09 117.35 122.31 3abl s TYR 16 Ca 0.36 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 3abl s TYR 16 Cb 0.08 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.35 3abl s TYR 16 CO 0.15 0.71 -0.04 0.14 -1.34 0.00 0.00 175.55 175.17 3abl s VAL 17 N -1.06 0.22 -0.48 3.14 -7.23 -1.26 -5.06 120.40 108.67 3abl s VAL 17 Ca 0.18 -0.65 -0.13 0.00 -1.81 0.00 0.00 61.98 59.57 3abl s VAL 17 Cb -0.13 -0.29 0.10 0.00 0.56 0.00 0.00 36.38 36.61 3abl s VAL 17 CO 0.07 -0.28 0.38 -1.81 -0.31 0.00 0.00 175.10 173.15 3abl s ASP 18 N -0.98 5.93 -0.11 4.85 -0.00 -1.26 -4.61 116.67 120.48 3abl s ASP 18 Ca -0.09 -1.62 -0.01 0.00 -0.00 0.00 0.00 52.55 50.83 3abl s ASP 18 Cb -0.07 -2.10 0.03 0.00 -0.00 0.00 0.00 42.92 40.78 3abl s ASP 18 CO -0.00 -0.68 -0.03 -0.60 -0.00 0.00 0.00 175.17 173.85 3abl s ARG 19 N 1.51 1.06 0.35 8.23 3.52 -1.26 -5.05 118.95 127.31 3abl s ARG 19 Ca 0.04 -0.17 0.14 0.00 -0.13 0.00 0.00 55.73 55.61 3abl s ARG 19 Cb -0.26 -1.47 1.03 0.00 -1.56 0.00 0.00 34.95 32.69 3abl s ARG 19 CO 0.03 -0.35 1.71 0.00 -0.81 0.00 0.00 175.30 175.88 3abl h ARG 20 N 8.23 0.42 -0.64 5.12 3.08 -1.97 0.34 114.38 128.97 3abl h ARG 20 Ca -0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3abl h ARG 20 Cb 1.12 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3abl h ARG 20 CO 0.34 0.28 0.00 -0.40 -1.07 0.00 0.00 179.97 179.12 3abl n ASP 21 N -4.88 4.17 -3.19 7.04 5.75 -1.26 -4.03 116.55 120.15 3abl n ASP 21 Ca 0.29 -2.47 -0.23 0.00 -0.01 0.00 0.00 54.79 52.37 3abl n ASP 21 Cb 0.89 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 40.36 3abl n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abl n TYR 22 N 0.75 -0.20 0.28 2.11 9.36 0.12 -5.00 117.16 124.57 3abl n TYR 22 Ca 0.21 -3.61 0.12 0.00 3.32 0.00 0.00 57.90 57.94 3abl n TYR 22 Cb 0.82 -0.37 0.78 0.00 -0.63 0.00 0.00 39.34 39.95 3abl n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3abl h PRO 23 N 3.84 0.00 -3.34 2.98 0.13 -1.69 -3.36 132.00 130.56 3abl h PRO 23 Ca 0.08 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.55 3abl h PRO 23 Cb 0.89 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.63 3abl h PRO 23 CO 0.47 0.05 -0.46 -0.51 -0.23 0.00 0.00 178.00 177.32 3abl s LEU 24 N -7.96 4.88 0.84 1.56 1.43 -1.26 -4.97 118.68 113.20 3abl s LEU 24 Ca -0.04 -3.30 -0.13 0.00 -1.03 0.00 0.00 54.13 49.62 3abl s LEU 24 Cb 0.15 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.71 3abl s LEU 24 CO 0.59 -0.22 0.98 -2.65 0.23 0.00 0.00 176.35 175.29 3abl n PRO 25 N 2.79 0.00 0.28 1.29 -0.02 -1.26 -4.93 135.00 133.15 3abl n PRO 25 Ca 0.12 0.07 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 3abl n PRO 25 Cb 0.35 -2.26 0.83 0.00 -0.02 0.00 0.00 33.50 32.40 3abl n PRO 25 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3abl h ASP 26 N -1.13 0.00 -3.69 2.55 3.32 -1.94 -3.44 116.42 112.09 3abl h ASP 26 Ca -0.45 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.22 3abl h ASP 26 Cb 1.30 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3abl h ASP 26 CO 0.43 0.07 -0.73 0.68 -1.72 0.00 0.00 179.24 177.97 3abl s VAL 27 N -4.18 1.40 0.33 -1.35 -7.23 -1.26 -4.98 120.40 103.12 3abl s VAL 27 Ca -0.03 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.77 3abl s VAL 27 Cb 0.13 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 3abl s VAL 27 CO 0.55 -0.66 1.26 0.00 -0.31 0.00 0.00 175.10 175.94 3abl s ALA 28 N -3.07 3.45 0.17 1.32 0.00 -1.26 -4.78 121.76 117.59 3abl s ALA 28 Ca 0.18 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.12 3abl s ALA 28 Cb 0.01 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.77 3abl s ALA 28 CO 0.03 -0.55 1.63 1.25 0.00 0.00 0.00 175.76 178.12 3abl h HIS 29 N 3.40 -0.56 -3.65 0.00 2.76 -1.17 -3.36 115.15 112.57 3abl h HIS 29 Ca -0.49 0.05 -0.68 0.00 -2.20 0.00 0.00 60.37 57.06 3abl h HIS 29 Cb 1.22 0.31 -0.18 0.00 1.55 0.00 0.00 27.41 30.31 3abl h HIS 29 CO 0.56 -0.30 -0.36 0.08 -1.30 0.00 0.00 177.93 176.62 3abl s VAL 30 N -6.12 5.21 -0.64 5.26 1.01 0.16 -3.05 120.40 122.23 3abl s VAL 30 Ca -0.14 -0.15 0.22 0.00 0.00 0.00 0.00 61.98 61.90 3abl s VAL 30 Cb 0.14 -3.82 -0.25 0.00 0.00 0.00 0.00 36.38 32.45 3abl s VAL 30 CO 0.70 -0.12 0.78 2.29 0.00 0.00 0.00 175.10 178.75 3abl n LYS 31 N 5.29 0.25 -3.87 2.72 2.85 -1.26 -4.85 118.16 119.29 3abl n LYS 31 Ca -0.10 -0.07 -0.36 0.00 -1.05 0.00 0.00 58.31 56.73 3abl n LYS 31 Cb 0.49 -1.52 -0.13 0.00 -0.65 0.00 0.00 35.03 33.22 3abl n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3abl s ASN 32 N -3.59 4.81 -0.08 -5.58 0.02 -1.26 -5.10 114.94 104.15 3abl s ASN 32 Ca 0.02 -0.98 -0.20 0.00 -1.02 0.00 0.00 52.86 50.68 3abl s ASN 32 Cb 0.15 -1.76 -0.04 0.00 0.02 0.00 0.00 41.25 39.62 3abl s ASN 32 CO 0.87 -0.21 0.56 -0.76 0.02 0.00 0.00 177.10 177.59 3abl s LEU 33 N 1.36 4.31 1.10 0.60 1.43 -1.26 -5.07 118.68 121.16 3abl s LEU 33 Ca -0.01 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 53.87 3abl s LEU 33 Cb -0.18 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.25 3abl s LEU 33 CO -0.01 -0.01 -0.28 -1.54 0.23 0.00 0.00 176.35 174.74 3abl n SER 34 N 3.52 -2.48 0.11 2.29 3.41 -1.26 -4.72 113.62 114.49 3abl n SER 34 Ca -0.05 -0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 3abl n SER 34 Cb 0.51 -0.87 0.17 0.00 -0.26 0.00 0.00 64.21 63.76 3abl n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abl h ALA 35 N -1.89 0.97 0.00 7.33 0.00 -1.99 -1.43 119.26 122.25 3abl h ALA 35 Ca -0.51 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 53.67 3abl h ALA 35 Cb 1.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3abl h ALA 35 CO 0.35 0.70 -1.03 0.66 0.00 0.00 0.00 179.25 179.93 3abl h SER 36 N 0.12 0.00 -0.50 0.00 4.64 -1.99 -2.63 113.55 113.19 3abl h SER 36 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3abl h SER 36 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3abl h SER 36 CO 0.08 0.97 0.12 1.56 -0.87 0.00 0.00 176.83 178.69 3abl h GLN 37 N 0.00 0.81 -0.04 4.77 4.20 -1.88 -0.41 115.11 122.55 3abl h GLN 37 Ca -0.03 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 3abl h GLN 37 Cb 1.77 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 3abl h GLN 37 CO 0.12 0.78 -0.26 0.87 -0.67 0.00 0.00 178.83 179.67 3abl h LYS 38 N 0.69 0.07 0.02 1.46 1.57 -1.20 -2.37 116.57 116.80 3abl h LYS 38 Ca 0.16 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 3abl h LYS 38 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3abl h LYS 38 CO 0.00 0.33 -0.98 0.00 -0.57 0.00 0.00 179.45 178.23 3abl h ALA 39 N 1.68 0.35 -0.72 3.86 0.00 -1.23 -2.98 119.26 120.21 3abl h ALA 39 Ca 0.01 -0.74 0.05 0.00 0.00 0.00 0.00 54.91 54.23 3abl h ALA 39 Cb 0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3abl h ALA 39 CO 0.04 0.85 0.44 1.25 0.00 0.00 0.00 179.25 181.83 3abl h LEU 40 N 0.19 0.69 -2.02 0.00 5.85 -0.67 -1.37 115.31 117.98 3abl h LEU 40 Ca -0.08 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3abl h LEU 40 Cb 1.63 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 3abl h LEU 40 CO 0.16 0.46 -0.10 0.11 -0.34 0.00 0.00 178.44 178.74 3abl h LYS 41 N 0.82 0.00 -0.01 1.25 1.79 -1.42 -1.02 116.57 117.99 3abl h LYS 41 Ca 0.31 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.61 3abl h LYS 41 Cb 0.11 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3abl h LYS 41 CO -0.15 0.10 -0.64 0.93 -1.08 0.00 0.00 179.45 178.61 3abl h GLU 42 N 0.00 0.45 -0.79 3.15 4.39 -1.20 -3.18 114.58 117.39 3abl h GLU 42 Ca -0.00 -0.47 0.09 0.00 0.34 0.00 0.00 59.36 59.32 3abl h GLU 42 Cb 0.26 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 3abl h GLU 42 CO 0.01 1.12 0.44 -0.22 -1.16 0.00 0.00 179.01 179.21 3abl h LYS 43 N -0.04 0.74 -0.03 2.33 3.64 -0.73 -2.27 116.57 120.21 3abl h LYS 43 Ca -0.08 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3abl h LYS 43 Cb 1.34 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3abl h LYS 43 CO 0.13 0.49 0.04 1.49 -2.27 0.00 0.00 179.45 179.32 3abl h GLU 44 N 0.76 0.00 0.00 1.90 4.81 -1.18 0.77 114.58 121.64 3abl h GLU 44 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3abl h GLU 44 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3abl h GLU 44 CO -0.24 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.67 3abl n LYS 45 N -3.64 0.12 -2.58 1.92 5.02 -0.86 -4.71 118.16 113.43 3abl n LYS 45 Ca -0.02 0.29 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 3abl n LYS 45 Cb 0.12 -1.70 0.04 0.00 -0.02 0.00 0.00 35.03 33.47 3abl n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3abl s ALA 46 N -3.15 3.58 0.10 7.82 0.00 0.27 -5.03 121.76 125.36 3abl s ALA 46 Ca 0.07 -1.04 -0.35 0.00 0.00 0.00 0.00 51.96 50.64 3abl s ALA 46 Cb 0.11 -2.31 -0.18 0.00 0.00 0.00 0.00 23.12 20.74 3abl s ALA 46 CO 0.40 -0.78 0.96 0.45 0.00 0.00 0.00 175.76 176.79 3abl n SER 47 N -2.45 0.08 0.23 0.00 2.88 -1.26 -4.85 113.62 108.26 3abl n SER 47 Ca 0.06 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.87 3abl n SER 47 Cb 0.59 -1.02 0.33 0.00 -0.75 0.00 0.00 64.21 63.36 3abl n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3abl h TRP 48 N 2.61 0.00 -0.34 0.66 6.55 -1.91 -2.70 115.95 120.82 3abl h TRP 48 Ca -0.43 0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.51 3abl h TRP 48 Cb 1.41 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.69 3abl h TRP 48 CO 0.52 0.06 0.27 0.77 -1.05 0.00 0.00 178.44 179.01 3abl h SER 49 N 0.00 0.00 0.02 -3.49 0.02 -2.01 -2.10 113.55 105.99 3abl h SER 49 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3abl h SER 49 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3abl h SER 49 CO 0.01 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.50 3abl n SER 50 N -4.28 0.00 -4.88 3.07 7.64 -1.02 -4.83 113.62 109.32 3abl n SER 50 Ca 0.05 -0.82 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 3abl n SER 50 Cb 0.44 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 3abl n SER 50 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3abl s LEU 51 N -2.02 4.26 0.33 -3.43 2.96 -0.79 -5.09 118.68 114.91 3abl s LEU 51 Ca 0.40 0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 54.47 3abl s LEU 51 Cb 0.18 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.23 3abl s LEU 51 CO 0.31 0.26 0.73 -0.94 -1.32 0.00 0.00 176.35 175.40 3abl s SER 52 N -1.94 6.72 0.18 3.68 1.04 -1.26 -4.89 113.70 117.23 3abl s SER 52 Ca 0.27 1.23 -0.19 0.00 0.48 0.00 0.00 55.95 57.74 3abl s SER 52 Cb -0.12 -2.36 0.12 0.00 0.10 0.00 0.00 66.02 63.76 3abl s SER 52 CO 0.18 -0.24 1.34 -0.38 0.98 0.00 0.00 173.24 175.13 3abl n ILE 53 N -0.54 -0.50 -0.21 -1.02 2.08 -1.26 0.04 119.36 117.95 3abl n ILE 53 Ca 0.03 2.06 -0.01 0.00 0.56 0.00 0.00 62.75 65.39 3abl n ILE 53 Cb 0.53 -2.66 0.10 0.00 -0.75 0.00 0.00 39.64 36.86 3abl n ILE 53 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3abl h ASP 54 N 0.00 0.34 -0.14 4.38 3.45 -1.99 0.55 116.42 123.01 3abl h ASP 54 Ca 0.25 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.76 3abl h ASP 54 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3abl h ASP 54 CO -0.85 0.21 0.06 -0.33 -1.57 0.00 0.00 179.24 176.77 3abl h GLU 55 N 0.50 0.20 -0.52 3.56 5.08 -0.83 -1.12 114.58 121.45 3abl h GLU 55 Ca 0.30 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 3abl h GLU 55 Cb 0.30 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3abl h GLU 55 CO -0.25 0.27 -0.05 0.87 -1.00 0.00 0.00 179.01 178.85 3abl h LYS 56 N 0.09 0.07 -0.79 2.33 1.57 0.29 0.16 116.57 120.28 3abl h LYS 56 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3abl h LYS 56 Cb 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3abl h LYS 56 CO -0.01 0.04 0.47 0.28 -0.57 0.00 0.00 179.45 179.67 3abl h VAL 57 N 0.07 1.22 -0.12 0.50 2.07 -0.81 -2.31 116.25 116.87 3abl h VAL 57 Ca 0.26 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3abl h VAL 57 Cb 0.41 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3abl h VAL 57 CO -0.48 0.24 -0.38 -0.08 0.02 0.00 0.00 177.57 176.88 3abl h GLU 58 N 1.09 0.26 -0.56 1.57 4.81 0.50 -0.88 114.58 121.37 3abl h GLU 58 Ca 0.28 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3abl h GLU 58 Cb -0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3abl h GLU 58 CO -0.05 0.61 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.70 3abl h LEU 59 N 0.22 1.02 -0.16 1.64 3.38 -0.53 -2.22 115.31 118.65 3abl h LEU 59 Ca 0.02 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3abl h LEU 59 Cb 0.78 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3abl h LEU 59 CO 0.06 1.11 0.04 0.22 0.09 0.00 0.00 178.44 179.96 3abl h TYR 60 N 0.91 0.27 0.00 1.13 3.20 -1.13 -2.75 116.97 118.59 3abl h TYR 60 Ca 0.15 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3abl h TYR 60 Cb 0.62 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3abl h TYR 60 CO 0.04 0.39 0.00 0.54 -1.64 0.00 0.00 178.16 177.49 3abl n ARG 61 N -4.82 0.06 0.08 1.82 5.12 -0.36 -1.66 116.66 116.91 3abl n ARG 61 Ca -0.05 0.19 -0.10 0.00 -1.93 0.00 0.00 57.85 55.96 3abl n ARG 61 Cb 0.16 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.87 3abl n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3abl h LEU 62 N 0.00 0.21 0.00 0.55 3.38 -1.11 -3.38 115.31 114.97 3abl h LEU 62 Ca 0.00 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.56 3abl h LEU 62 Cb 0.25 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3abl h LEU 62 CO 0.00 1.10 -1.97 1.17 0.09 0.00 0.00 178.44 178.83 3abl n LYS 63 N -3.52 0.66 -4.27 1.13 3.00 -0.79 -0.67 118.16 113.70 3abl n LYS 63 Ca -0.04 0.01 -0.18 0.00 -0.00 0.00 0.00 58.31 58.10 3abl n LYS 63 Cb 0.91 -1.61 -0.15 0.00 0.00 0.00 0.00 35.03 34.18 3abl n LYS 63 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3abl s PHE 64 N -2.91 0.73 0.00 5.64 0.40 -0.66 -1.29 117.98 119.88 3abl s PHE 64 Ca -0.07 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 3abl s PHE 64 Cb 0.09 -0.52 0.00 0.00 0.51 0.00 0.00 43.02 43.10 3abl s PHE 64 CO 0.85 -0.06 0.07 1.17 0.70 0.00 0.00 175.22 177.94 3abl n LYS 65 N 3.21 0.00 -3.74 0.44 4.81 -1.26 -4.32 118.16 117.29 3abl n LYS 65 Ca -0.17 0.12 -0.28 0.00 -0.87 0.00 0.00 58.31 57.11 3abl n LYS 65 Cb 0.55 -0.68 -0.03 0.00 0.02 0.00 0.00 35.03 34.89 3abl n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3abl s GLU 66 N -0.38 3.52 0.79 1.64 2.02 -1.26 -4.95 118.70 120.09 3abl s GLU 66 Ca 0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 3abl s GLU 66 Cb 0.00 -2.88 0.13 0.00 0.10 0.00 0.00 34.13 31.48 3abl s GLU 66 CO 0.00 0.45 1.11 -1.54 0.02 0.00 0.00 175.26 175.30 3abl s SER 67 N -2.97 4.12 0.18 -0.19 1.04 -1.26 -4.79 113.70 109.83 3abl s SER 67 Ca 0.38 0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 3abl s SER 67 Cb -0.11 -0.55 0.07 0.00 0.10 0.00 0.00 66.02 65.53 3abl s SER 67 CO 0.28 -2.05 1.65 -0.26 0.98 0.00 0.00 173.24 173.84 3abl h PHE 68 N -0.93 1.18 -0.53 5.02 -1.00 -2.00 0.92 116.94 119.60 3abl h PHE 68 Ca -0.42 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.15 3abl h PHE 68 Cb 1.28 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 3abl h PHE 68 CO -0.30 1.02 0.29 0.00 -1.61 0.00 0.00 178.31 177.71 3abl h ALA 69 N 1.00 0.68 0.18 2.45 0.00 -1.96 -1.13 119.26 120.48 3abl h ALA 69 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3abl h ALA 69 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3abl h ALA 69 CO 0.03 0.20 -0.09 0.93 0.00 0.00 0.00 179.25 180.32 3abl h GLU 70 N 0.71 -0.24 0.00 0.00 5.08 -1.88 -2.99 114.58 115.26 3abl h GLU 70 Ca 0.19 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3abl h GLU 70 Cb 0.05 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3abl h GLU 70 CO -0.03 0.08 -0.03 0.00 -1.00 0.00 0.00 179.01 178.03 3abl h MET 71 N -0.58 0.00 -0.16 2.33 -0.00 -0.81 -2.72 114.93 113.00 3abl h MET 71 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 3abl h MET 71 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 3abl h MET 71 CO 0.04 0.03 0.00 0.09 -0.00 0.00 0.00 176.91 177.07 3abl n ASN 72 N -3.41 2.01 -4.78 -0.10 3.02 -0.43 -4.98 115.26 106.59 3abl n ASN 72 Ca -0.02 -1.74 -0.36 0.00 -0.03 0.00 0.00 54.58 52.44 3abl n ASN 72 Cb 0.14 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3abl n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abl s ARG 73 N -1.80 3.54 0.58 3.52 1.70 -1.03 -5.04 118.95 120.43 3abl s ARG 73 Ca 0.34 1.63 -0.08 0.00 -0.47 0.00 0.00 55.73 57.15 3abl s ARG 73 Cb 0.19 -2.14 -0.01 0.00 -0.57 0.00 0.00 34.95 32.42 3abl s ARG 73 CO 0.29 -0.70 0.93 -1.54 -1.08 0.00 0.00 175.30 173.19 3abl s SER 74 N -1.67 5.89 0.37 -2.89 1.04 -1.26 -5.10 113.70 110.09 3abl s SER 74 Ca 0.69 0.99 0.04 0.00 0.48 0.00 0.00 55.95 58.15 3abl s SER 74 Cb -0.24 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 3abl s SER 74 CO 0.28 -0.93 0.08 0.42 0.98 0.00 0.00 173.24 174.07 3abl s THR 75 N -3.02 1.00 -2.06 2.02 -4.23 -1.26 -5.04 115.64 103.06 3abl s THR 75 Ca 0.53 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.19 3abl s THR 75 Cb -0.11 -2.60 0.42 0.00 1.34 0.00 0.00 72.50 71.55 3abl s THR 75 CO 0.48 0.00 1.37 0.59 -0.54 0.00 0.00 174.62 176.52 3abl n ASN 76 N -0.95 2.44 -0.34 3.99 3.02 -1.26 -4.52 115.26 117.64 3abl n ASN 76 Ca -0.05 -1.97 0.24 0.00 -0.03 0.00 0.00 54.58 52.77 3abl n ASN 76 Cb 0.66 -0.28 0.51 0.00 -0.61 0.00 0.00 39.78 40.05 3abl n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3abl h GLU 77 N 2.75 0.37 -0.76 3.52 4.81 -2.01 -2.09 114.58 121.16 3abl h GLU 77 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3abl h GLU 77 Cb 0.62 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 3abl h GLU 77 CO 0.00 0.25 0.50 0.11 -0.73 0.00 0.00 179.01 179.14 3abl h TRP 78 N 0.38 0.74 0.02 0.92 5.08 -2.00 -0.50 115.95 120.59 3abl h TRP 78 Ca 0.63 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.62 3abl h TRP 78 Cb 1.60 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3abl h TRP 78 CO -0.00 0.36 -0.01 0.87 -1.28 0.00 0.00 178.44 178.37 3abl h LYS 79 N 0.70 -0.02 -0.21 0.12 1.57 -1.74 0.27 116.57 117.26 3abl h LYS 79 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3abl h LYS 79 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3abl h LYS 79 CO -0.13 -0.00 0.12 1.15 -0.57 0.00 0.00 179.45 180.02 3abl h THR 80 N -0.04 1.11 -0.18 -0.16 2.02 -1.44 -0.63 112.91 113.59 3abl h THR 80 Ca -0.00 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3abl h THR 80 Cb 0.03 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3abl h THR 80 CO 0.00 0.10 0.11 0.58 0.37 0.00 0.00 175.52 176.69 3abl h VAL 81 N 0.24 1.09 -0.49 3.16 2.07 -0.97 0.15 116.25 121.49 3abl h VAL 81 Ca 0.07 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3abl h VAL 81 Cb 0.06 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3abl h VAL 81 CO -0.01 0.08 0.18 0.58 0.02 0.00 0.00 177.57 178.42 3abl h VAL 82 N 0.21 1.22 -0.20 2.57 2.07 -0.45 -1.98 116.25 119.70 3abl h VAL 82 Ca 0.07 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3abl h VAL 82 Cb 0.04 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3abl h VAL 82 CO -0.01 0.26 -0.04 1.23 0.02 0.00 0.00 177.57 179.02 3abl h GLY 83 N 0.66 0.41 0.50 2.17 0.00 -0.96 -1.81 103.07 104.04 3abl h GLY 83 Ca 0.16 -0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.22 3abl h GLY 83 CO -0.01 0.30 0.06 0.00 0.00 0.00 0.00 176.54 176.90 3abl h ALA 84 N 0.74 0.40 0.13 3.60 0.00 -0.64 -0.61 119.26 122.89 3abl h ALA 84 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3abl h ALA 84 Cb 0.49 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3abl h ALA 84 CO 0.02 -0.34 -0.21 0.00 0.00 0.00 0.00 179.25 178.72 3abl h ALA 85 N 1.30 -0.37 -0.80 0.00 0.00 -1.31 0.33 119.26 118.41 3abl h ALA 85 Ca 0.19 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3abl h ALA 85 Cb 0.23 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3abl h ALA 85 CO -0.26 -0.75 0.32 0.52 0.00 0.00 0.00 179.25 179.09 3abl h MET 86 N -0.41 0.42 -0.13 0.00 2.07 -1.32 0.16 114.93 115.72 3abl h MET 86 Ca 0.02 -0.03 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 3abl h MET 86 Cb 0.42 -0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 30.01 3abl h MET 86 CO -0.10 0.28 -0.12 0.35 1.07 0.00 0.00 176.91 178.39 3abl h PHE 87 N 0.44 -0.30 -0.39 -0.22 3.57 -0.24 0.30 116.94 120.08 3abl h PHE 87 Ca 0.45 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.89 3abl h PHE 87 Cb 0.73 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 3abl h PHE 87 CO -0.16 -0.18 -0.11 0.74 -2.23 0.00 0.00 178.31 176.37 3abl h PHE 88 N -0.14 0.76 -0.22 0.41 -1.00 0.75 0.28 116.94 117.78 3abl h PHE 88 Ca 0.09 -0.13 -0.06 0.00 2.81 0.00 0.00 57.97 60.67 3abl h PHE 88 Cb 0.27 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3abl h PHE 88 CO -0.24 0.77 -0.15 0.82 -1.61 0.00 0.00 178.31 177.91 3abl h ILE 89 N 0.63 1.22 -0.37 -0.55 2.04 -0.60 -1.07 117.51 118.81 3abl h ILE 89 Ca 0.11 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 64.85 3abl h ILE 89 Cb 0.56 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3abl h ILE 89 CO 0.03 0.31 -0.40 1.23 0.00 0.00 0.00 178.15 179.32 3abl h GLY 90 N 0.88 0.99 1.00 5.37 0.00 0.26 -3.14 103.07 108.43 3abl h GLY 90 Ca 0.06 -1.02 0.09 0.00 0.00 0.00 0.00 47.33 46.46 3abl h GLY 90 CO 0.03 0.92 0.45 -2.75 0.00 0.00 0.00 176.54 175.19 3abl h PHE 91 N 0.74 0.61 -0.44 5.60 3.57 0.27 -2.02 116.94 125.27 3abl h PHE 91 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3abl h PHE 91 Cb 0.99 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3abl h PHE 91 CO 0.06 0.30 0.07 1.15 -2.23 0.00 0.00 178.31 177.66 3abl h THR 92 N 0.58 1.21 -0.26 4.41 2.02 -1.17 -1.55 112.91 118.15 3abl h THR 92 Ca 0.31 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.76 3abl h THR 92 Cb 0.43 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3abl h THR 92 CO -0.10 0.28 0.18 0.00 0.37 0.00 0.00 175.52 176.25 3abl h ALA 93 N 1.44 2.07 -0.50 6.16 0.00 -1.37 -0.54 119.26 126.52 3abl h ALA 93 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3abl h ALA 93 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3abl h ALA 93 CO 0.00 -0.12 0.13 -0.07 0.00 0.00 0.00 179.25 179.19 3abl h LEU 94 N 0.14 0.75 -0.77 0.00 3.38 -1.26 0.28 115.31 117.84 3abl h LEU 94 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3abl h LEU 94 Cb 0.29 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3abl h LEU 94 CO -0.02 0.78 0.45 -0.07 0.09 0.00 0.00 178.44 179.68 3abl h LEU 95 N 0.69 0.94 -0.64 1.67 3.38 -0.98 0.22 115.31 120.59 3abl h LEU 95 Ca 0.16 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3abl h LEU 95 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3abl h LEU 95 CO 0.00 0.74 -0.37 -0.07 0.09 0.00 0.00 178.44 178.83 3abl h LEU 96 N 1.06 0.69 -0.45 1.67 3.38 -0.91 0.25 115.31 120.99 3abl h LEU 96 Ca 0.27 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3abl h LEU 96 Cb -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3abl h LEU 96 CO -0.05 0.99 0.19 0.40 0.09 0.00 0.00 178.44 180.06 3abl h ILE 97 N 0.54 1.20 -0.22 1.22 2.04 -0.03 -1.43 117.51 120.82 3abl h ILE 97 Ca 0.05 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3abl h ILE 97 Cb 0.88 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3abl h ILE 97 CO 0.08 0.22 0.09 -0.25 0.00 0.00 0.00 178.15 178.29 3abl h TRP 98 N 0.58 0.17 -0.89 1.37 7.01 0.05 -1.73 115.95 122.51 3abl h TRP 98 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 3abl h TRP 98 Cb 0.16 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 3abl h TRP 98 CO -0.00 0.09 0.55 1.49 -2.79 0.00 0.00 178.44 177.78 3abl h GLU 99 N 0.20 1.19 -0.19 2.65 4.81 -0.39 0.13 114.58 122.98 3abl h GLU 99 Ca 0.09 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3abl h GLU 99 Cb 0.04 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3abl h GLU 99 CO -0.08 0.82 -0.44 -0.22 -0.73 0.00 0.00 179.01 178.36 3abl h LYS 100 N 1.22 0.47 0.13 1.92 1.63 -0.88 0.15 116.57 121.22 3abl h LYS 100 Ca 0.32 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3abl h LYS 100 Cb -0.08 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3abl h LYS 100 CO -0.06 0.82 -0.06 1.25 -3.45 0.00 0.00 179.45 177.95 3abl h HIS 101 N 0.39 -0.16 0.00 1.91 2.76 -0.52 -3.31 115.15 116.22 3abl h HIS 101 Ca 0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3abl h HIS 101 Cb 0.93 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.94 3abl h HIS 101 CO 0.03 0.31 -1.17 0.66 -1.30 0.00 0.00 177.93 176.47 3abl n TYR 102 N -4.89 0.15 -0.02 5.26 4.01 0.36 -4.69 117.16 117.36 3abl n TYR 102 Ca -0.08 0.04 -0.06 0.00 -0.16 0.00 0.00 57.90 57.65 3abl n TYR 102 Cb 0.27 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 3abl n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3abl n VAL 103 N -1.89 0.86 -2.46 -0.72 0.31 0.46 -5.01 118.33 109.87 3abl n VAL 103 Ca 0.02 0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 3abl n VAL 103 Cb 0.43 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 3abl n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3abl s TYR 104 N -2.20 3.54 0.00 3.52 4.12 -0.75 -5.02 117.35 120.55 3abl s TYR 104 Ca -0.10 1.56 0.00 0.00 0.02 0.00 0.00 57.07 58.55 3abl s TYR 104 Cb 0.03 -3.33 0.00 0.00 -1.52 0.00 0.00 41.96 37.14 3abl s TYR 104 CO 0.13 -0.79 0.00 0.41 0.02 0.00 0.00 175.55 175.32 3abl n GLY 105 N 1.98 -0.12 3.79 0.71 0.00 -1.26 -4.82 105.19 105.46 3abl n GLY 105 Ca 0.03 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 3abl n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3abl s PRO 106 N -1.23 3.13 0.81 1.61 0.04 -1.26 -5.04 135.00 133.07 3abl s PRO 106 Ca 0.00 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 3abl s PRO 106 Cb 0.00 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.63 3abl s PRO 106 CO 0.00 -0.98 1.17 0.96 0.04 0.00 0.00 177.00 178.19 3abl s ILE 107 N -2.36 2.04 0.71 0.56 -4.36 -1.26 -5.01 121.20 111.51 3abl s ILE 107 Ca 0.65 -0.04 -0.16 0.00 -0.26 0.00 0.00 60.65 60.84 3abl s ILE 107 Cb -0.18 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.56 3abl s ILE 107 CO 0.38 0.00 1.26 -2.84 0.24 0.00 0.00 174.94 173.97 3abl s PRO 108 N -5.56 2.21 0.64 0.37 0.02 -1.26 -4.88 135.00 126.54 3abl s PRO 108 Ca 0.63 1.94 0.36 0.00 0.02 0.00 0.00 61.00 63.94 3abl s PRO 108 Cb -0.10 -1.82 1.96 0.00 0.02 0.00 0.00 34.50 34.56 3abl s PRO 108 CO 0.49 -1.82 2.10 1.12 -0.33 0.00 0.00 177.00 178.55 3abl h HIS 109 N -0.01 0.00 0.00 6.54 2.07 -2.00 -2.43 115.15 119.32 3abl h HIS 109 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3abl h HIS 109 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3abl h HIS 109 CO 0.44 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.55 3abl n THR 110 N -2.91 1.16 0.87 6.12 -2.24 -1.26 -1.37 114.28 114.65 3abl n THR 110 Ca -0.02 0.32 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 3abl n THR 110 Cb 0.21 -1.17 0.12 0.00 -2.10 0.00 0.00 70.33 67.39 3abl n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3abl n PHE 111 N -1.68 0.10 -1.68 4.78 3.01 -0.92 -4.15 117.46 116.92 3abl n PHE 111 Ca 0.02 0.03 -0.43 0.00 1.01 0.00 0.00 57.45 58.08 3abl n PHE 111 Cb 0.14 -0.27 -0.01 0.00 -0.01 0.00 0.00 39.48 39.33 3abl n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3abl n GLU 112 N -1.65 2.01 -0.18 -1.08 1.02 -0.47 -4.73 120.64 115.56 3abl n GLU 112 Ca 0.04 0.70 -0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3abl n GLU 112 Cb 0.36 -2.26 0.09 0.00 -0.02 0.00 0.00 31.44 29.62 3abl n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3abl h GLU 113 N 2.50 0.26 -0.65 3.49 4.81 -1.91 -1.13 114.58 121.95 3abl h GLU 113 Ca -0.45 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 3abl h GLU 113 Cb 1.29 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 3abl h GLU 113 CO 0.63 0.17 0.41 1.49 -0.73 0.00 0.00 179.01 180.97 3abl h GLU 114 N 0.27 0.78 -0.44 1.92 4.81 -1.96 -1.68 114.58 118.28 3abl h GLU 114 Ca 0.29 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3abl h GLU 114 Cb 0.41 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3abl h GLU 114 CO -0.36 0.52 0.23 2.35 -0.73 0.00 0.00 179.01 181.01 3abl h TRP 115 N 0.81 0.43 -0.71 0.92 2.91 -1.63 -2.46 115.95 116.21 3abl h TRP 115 Ca 0.25 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.38 3abl h TRP 115 Cb -0.01 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 28.44 3abl h TRP 115 CO -0.04 0.23 0.36 0.28 -1.03 0.00 0.00 178.44 178.23 3abl h VAL 116 N 0.46 0.85 -0.48 2.65 2.07 -0.91 -0.25 116.25 120.65 3abl h VAL 116 Ca 0.18 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3abl h VAL 116 Cb 0.07 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3abl h VAL 116 CO -0.12 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.72 3abl h ALA 117 N 1.43 0.63 -0.13 1.67 0.00 -1.10 0.12 119.26 121.87 3abl h ALA 117 Ca 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3abl h ALA 117 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3abl h ALA 117 CO -0.27 0.29 0.05 0.87 0.00 0.00 0.00 179.25 180.20 3abl h LYS 118 N 0.64 0.20 -0.37 0.00 1.57 -1.03 -2.08 116.57 115.50 3abl h LYS 118 Ca 0.15 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3abl h LYS 118 Cb 0.29 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 3abl h LYS 118 CO -0.00 0.30 0.02 0.37 -0.57 0.00 0.00 179.45 179.57 3abl h GLN 119 N 0.05 0.12 -0.25 3.15 4.15 -0.95 -1.55 115.11 119.83 3abl h GLN 119 Ca 0.04 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.50 3abl h GLN 119 Cb 0.18 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3abl h GLN 119 CO -0.00 0.08 -0.03 1.15 -1.93 0.00 0.00 178.83 178.10 3abl h THR 120 N 0.12 0.79 0.41 2.39 2.02 -0.72 0.34 112.91 118.25 3abl h THR 120 Ca 0.18 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3abl h THR 120 Cb 0.24 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3abl h THR 120 CO -0.29 0.01 -0.26 0.50 0.37 0.00 0.00 175.52 175.85 3abl h LYS 121 N 0.04 -0.62 -0.99 6.66 3.64 -1.05 -1.19 116.57 123.06 3abl h LYS 121 Ca 0.12 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.71 3abl h LYS 121 Cb 0.17 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 3abl h LYS 121 CO -0.23 -0.41 0.59 -0.09 -2.27 0.00 0.00 179.45 177.04 3abl h ARG 122 N -0.64 0.78 -0.62 1.90 2.43 -1.10 0.50 114.38 117.63 3abl h ARG 122 Ca -0.04 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3abl h ARG 122 Cb 0.53 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3abl h ARG 122 CO 0.04 0.51 0.41 0.52 -1.51 0.00 0.00 179.97 179.94 3abl h MET 123 N 0.80 0.80 -0.14 0.20 2.86 0.01 0.57 114.93 120.02 3abl h MET 123 Ca 0.55 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 58.01 3abl h MET 123 Cb 0.78 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3abl h MET 123 CO -0.35 0.53 -0.49 -0.07 1.06 0.00 0.00 176.91 177.59 3abl h LEU 124 N 0.82 0.40 -1.07 1.22 3.38 0.19 0.11 115.31 120.36 3abl h LEU 124 Ca 0.23 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3abl h LEU 124 Cb -0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3abl h LEU 124 CO -0.06 0.82 0.06 0.44 0.09 0.00 0.00 178.44 179.79 3abl h ASP 125 N 0.29 0.68 -0.45 -0.43 3.45 0.50 -0.95 116.42 119.51 3abl h ASP 125 Ca 0.01 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3abl h ASP 125 Cb 0.96 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3abl h ASP 125 CO 0.08 0.71 0.00 1.15 -1.57 0.00 0.00 179.24 179.61 3abl n MET 126 N -4.26 2.16 -3.79 3.56 0.00 0.14 -4.95 117.12 109.97 3abl n MET 126 Ca 0.03 -1.79 -0.25 0.00 0.00 0.00 0.00 57.70 55.68 3abl n MET 126 Cb 0.25 -1.41 0.03 0.00 0.00 0.00 0.00 33.22 32.09 3abl n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3abl n LYS 127 N 0.96 -5.35 -1.69 3.17 5.02 0.21 -4.88 118.16 115.61 3abl n LYS 127 Ca 0.17 0.62 -0.59 0.00 -2.02 0.00 0.00 58.31 56.49 3abl n LYS 127 Cb 0.44 -5.36 -0.08 0.00 -0.02 0.00 0.00 35.03 30.02 3abl n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3abl n VAL 128 N -4.50 0.19 -3.40 -0.18 0.31 -0.16 -3.47 118.33 107.12 3abl n VAL 128 Ca -0.13 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 3abl n VAL 128 Cb 0.60 -0.96 0.02 0.00 -0.91 0.00 0.00 33.84 32.59 3abl n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abl n ALA 129 N 4.52 -2.59 1.17 3.52 0.00 -1.26 0.08 120.51 125.95 3abl n ALA 129 Ca 0.26 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3abl n ALA 129 Cb 0.10 -2.22 0.31 0.00 0.00 0.00 0.00 19.45 17.64 3abl n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3abl n PRO 130 N -2.64 0.70 0.02 0.00 -0.04 -1.23 -0.59 135.00 131.23 3abl n PRO 130 Ca -0.11 -0.44 -0.22 0.00 -0.04 0.00 0.00 63.50 62.69 3abl n PRO 130 Cb 0.58 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 3abl n PRO 130 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3abl h ILE 131 N 1.07 0.74 0.00 0.52 5.03 -1.91 -3.26 117.51 119.70 3abl h ILE 131 Ca 0.00 -2.39 0.00 0.00 -0.12 0.00 0.00 64.86 62.35 3abl h ILE 131 Cb 0.53 2.59 0.00 0.00 -3.03 0.00 0.00 36.82 36.90 3abl h ILE 131 CO 0.00 0.87 0.00 0.00 -0.68 0.00 0.00 178.15 178.34 3abl n GLN 132 N -3.56 0.00 -0.12 2.37 6.02 -1.26 -4.85 117.38 115.98 3abl n GLN 132 Ca -0.29 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.57 3abl n GLN 132 Cb 1.04 -0.19 -0.03 0.00 1.02 0.00 0.00 30.24 32.08 3abl n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3abl h GLY 133 N 0.00 0.85 0.00 1.08 0.00 -1.89 -3.43 103.07 99.69 3abl h GLY 133 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3abl h GLY 133 CO 0.00 0.73 0.00 0.33 0.00 0.00 0.00 176.54 177.60 3abl n PHE 134 N -4.25 -1.04 0.24 5.60 7.35 0.24 -4.89 117.46 120.72 3abl n PHE 134 Ca -0.02 0.16 0.10 0.00 -0.76 0.00 0.00 57.45 56.92 3abl n PHE 134 Cb 0.44 0.67 0.58 0.00 0.35 0.00 0.00 39.48 41.52 3abl n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3abl h SER 135 N 0.00 0.00 -0.63 -2.13 0.02 0.20 -1.66 113.55 109.35 3abl h SER 135 Ca 0.00 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.13 3abl h SER 135 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3abl h SER 135 CO 0.00 0.20 0.50 0.00 -1.14 0.00 0.00 176.83 176.40 3abl h ALA 136 N 1.80 2.51 -0.02 3.77 0.00 -1.54 -1.19 119.26 124.59 3abl h ALA 136 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3abl h ALA 136 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3abl h ALA 136 CO 0.03 -0.83 -0.21 1.63 0.00 0.00 0.00 179.25 179.87 3abl n LYS 137 N -4.11 1.47 -3.78 0.00 5.02 -0.63 -4.88 118.16 111.25 3abl n LYS 137 Ca 0.12 -1.07 -0.37 0.00 -2.02 0.00 0.00 58.31 54.97 3abl n LYS 137 Cb 0.75 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3abl n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3abl s TRP 138 N -2.27 3.57 -0.50 2.13 -0.11 -0.45 -0.75 118.94 120.55 3abl s TRP 138 Ca 0.26 0.55 -0.18 0.00 1.22 0.00 0.00 56.10 57.95 3abl s TRP 138 Cb 0.19 -2.05 0.06 0.00 -1.50 0.00 0.00 33.47 30.17 3abl s TRP 138 CO 0.45 0.61 0.58 0.34 -4.62 0.00 0.00 176.95 174.30 3abl s ASP 139 N -0.66 6.21 0.45 5.86 -1.08 0.15 -4.79 116.67 122.81 3abl s ASP 139 Ca 0.15 -0.97 0.29 0.00 -0.52 0.00 0.00 52.55 51.50 3abl s ASP 139 Cb -0.12 -2.27 1.10 0.00 -1.46 0.00 0.00 42.92 40.17 3abl s ASP 139 CO 0.04 -0.84 1.86 1.88 0.52 0.00 0.00 175.17 178.63 3abl h TYR 140 N 8.95 0.00 0.00 -5.34 0.05 -1.92 -0.23 116.97 118.48 3abl h TYR 140 Ca -0.28 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 3abl h TYR 140 Cb 1.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 3abl h TYR 140 CO 0.73 0.00 -0.29 -0.44 -1.05 0.00 0.00 178.16 177.11 3abl h ASP 141 N 0.00 0.00 0.82 3.88 3.45 -1.95 -3.37 116.42 119.26 3abl h ASP 141 Ca 0.00 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.26 3abl h ASP 141 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3abl h ASP 141 CO 0.00 0.75 0.00 0.29 -1.57 0.00 0.00 179.24 178.71 3abl n LYS 142 N -4.67 0.04 -3.56 3.56 5.02 -1.25 -4.94 118.16 112.36 3abl n LYS 142 Ca -0.07 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 3abl n LYS 142 Cb 0.22 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3abl n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abl n ASN 143 N -1.48 -5.16 -3.99 4.39 4.05 -0.11 -5.01 115.26 107.95 3abl n ASN 143 Ca 0.07 -0.57 -0.10 0.00 0.45 0.00 0.00 54.58 54.44 3abl n ASN 143 Cb 0.28 -5.05 -0.07 0.00 1.23 0.00 0.00 39.78 36.17 3abl n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3abl s GLU 144 N -6.05 1.22 0.22 1.20 -1.05 -1.12 -5.00 118.70 108.12 3abl s GLU 144 Ca 0.42 -1.24 -0.32 0.00 -0.15 0.00 0.00 54.97 53.69 3abl s GLU 144 Cb -0.19 0.38 -0.12 0.00 -0.44 0.00 0.00 34.13 33.76 3abl s GLU 144 CO 0.73 -0.45 1.69 -1.58 0.95 0.00 0.00 175.26 176.60 3abl s TRP 145 N -4.00 2.88 0.44 4.83 0.52 -1.26 0.30 118.94 122.65 3abl s TRP 145 Ca 0.20 0.45 -0.25 0.00 0.02 0.00 0.00 56.10 56.52 3abl s TRP 145 Cb 0.03 -4.12 -0.09 0.00 -1.15 0.00 0.00 33.47 28.15 3abl s TRP 145 CO 0.03 -4.12 1.34 1.63 0.02 0.00 0.00 176.95 175.85 3abl n LYS 146 N 3.62 2.05 0.00 4.98 5.02 0.07 -4.78 118.16 129.11 3abl n LYS 146 Ca 0.14 0.73 0.11 0.00 -2.02 0.00 0.00 58.31 57.27 3abl n LYS 146 Cb 0.36 -2.50 0.63 0.00 -0.02 0.00 0.00 35.03 33.50 3abl n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51