#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s VAL 5 N 0.00 4.76 -0.04 0.44 1.01 -1.26 -5.05 120.40 120.27 3abl s VAL 5 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 3abl s VAL 5 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3abl s VAL 5 CO 0.00 -0.71 0.49 -0.69 0.00 0.00 0.00 175.10 174.18 3abl s VAL 6 N 2.98 5.03 0.04 2.92 1.01 -1.26 -5.06 120.40 126.06 3abl s VAL 6 Ca 0.23 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.28 3abl s VAL 6 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3abl s VAL 6 CO 0.18 0.45 -0.17 -0.54 0.00 0.00 0.00 175.10 175.02 3abl s LYS 7 N -0.26 2.10 0.26 2.72 1.02 -1.26 -5.01 119.74 119.31 3abl s LYS 7 Ca 0.26 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 3abl s LYS 7 Cb -0.17 -2.21 0.49 0.00 -0.52 0.00 0.00 37.83 35.43 3abl s LYS 7 CO 0.13 0.54 1.77 0.77 -0.92 0.00 0.00 175.35 177.65 3abl h SER 8 N 4.53 0.53 0.21 2.83 0.02 -2.04 -1.64 113.55 118.00 3abl h SER 8 Ca -0.48 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3abl h SER 8 Cb 1.16 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3abl h SER 8 CO 0.48 0.24 0.00 -1.84 -1.14 0.00 0.00 176.83 174.57 3abl n GLU 9 N -4.86 0.53 -0.06 3.45 0.00 -1.26 -3.11 120.64 115.34 3abl n GLU 9 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 57.16 57.37 3abl n GLU 9 Cb 0.40 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.38 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 -1.14 0.70 0.26 -1.84 8.00 -0.62 -4.60 116.55 117.31 3abl n ASP 10 Ca 0.14 -2.02 0.08 0.00 0.71 0.00 0.00 54.79 53.70 3abl n ASP 10 Cb 0.13 -0.16 0.63 0.00 -0.02 0.00 0.00 41.12 41.70 3abl n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3abl h TYR 11 N 0.50 0.00 -0.02 1.24 -0.00 -1.74 -1.56 116.97 115.39 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 3abl h TYR 11 CO 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 178.16 178.26 3abl n ALA 12 N -2.53 2.62 -2.79 0.10 0.00 -1.26 -4.88 120.51 111.77 3abl n ALA 12 Ca -0.03 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 3abl n ALA 12 Cb 0.11 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.83 3.85 0.37 0.00 1.43 -0.59 -5.04 118.68 116.88 3abl s LEU 13 Ca 0.38 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 3abl s LEU 13 Cb 0.19 -2.51 -0.11 0.00 0.03 0.00 0.00 46.19 43.79 3abl s LEU 13 CO 0.31 0.15 1.24 -2.65 0.23 0.00 0.00 176.35 175.62 3abl n PRO 14 N 0.24 1.95 -4.43 1.29 -0.02 -1.26 -4.99 135.00 127.78 3abl n PRO 14 Ca -0.08 0.69 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 3abl n PRO 14 Cb 0.52 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.43 2.43 0.22 2.55 1.04 -1.26 -4.87 113.70 113.37 3abl s SER 15 Ca 0.58 -1.30 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 3abl s SER 15 Cb -0.56 -0.10 -0.08 0.00 0.10 0.00 0.00 66.02 65.38 3abl s SER 15 CO 0.60 -0.52 0.74 -0.47 0.98 0.00 0.00 173.24 174.58 3abl s TYR 16 N -3.23 3.69 -0.09 5.02 5.04 -1.26 -4.09 117.35 122.43 3abl s TYR 16 Ca 0.33 1.45 -0.08 0.00 -2.44 0.00 0.00 57.07 56.33 3abl s TYR 16 Cb 0.07 -2.66 0.03 0.00 0.35 0.00 0.00 41.96 39.75 3abl s TYR 16 CO 0.14 0.36 0.24 0.14 -1.34 0.00 0.00 175.55 175.09 3abl s VAL 17 N -1.47 -0.00 -0.49 3.14 -7.23 -1.26 -5.06 120.40 108.02 3abl s VAL 17 Ca 0.42 0.02 -0.17 0.00 -1.81 0.00 0.00 61.98 60.43 3abl s VAL 17 Cb -0.18 -0.35 0.06 0.00 0.56 0.00 0.00 36.38 36.48 3abl s VAL 17 CO 0.22 0.01 0.52 -1.81 -0.31 0.00 0.00 175.10 173.73 3abl s ASP 18 N 0.27 6.19 -0.01 4.85 -0.00 -1.26 -4.67 116.67 122.04 3abl s ASP 18 Ca -0.01 -1.09 0.00 0.00 -0.00 0.00 0.00 52.55 51.45 3abl s ASP 18 Cb -0.03 -2.24 0.01 0.00 -0.00 0.00 0.00 42.92 40.66 3abl s ASP 18 CO -0.01 -0.78 0.01 -0.13 -0.00 0.00 0.00 175.17 174.26 3abl s ARG 19 N 2.19 0.01 0.37 8.23 0.52 -1.26 -5.05 118.95 123.95 3abl s ARG 19 Ca 0.10 0.06 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 3abl s ARG 19 Cb -0.21 -0.10 0.73 0.00 0.52 0.00 0.00 34.95 35.88 3abl s ARG 19 CO 0.10 -0.05 1.98 0.00 0.02 0.00 0.00 175.30 177.34 3abl h ARG 20 N 6.54 0.58 -0.43 3.54 3.08 -1.98 -0.38 114.38 125.34 3abl h ARG 20 Ca -0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3abl h ARG 20 Cb 1.18 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3abl h ARG 20 CO 0.50 0.46 0.00 -0.40 -1.07 0.00 0.00 179.97 179.46 3abl n ASP 21 N -4.40 3.13 -3.19 7.04 5.75 -1.26 -4.29 116.55 119.33 3abl n ASP 21 Ca 0.03 -1.95 -0.22 0.00 -0.01 0.00 0.00 54.79 52.64 3abl n ASP 21 Cb 0.12 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 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 1.25 0.49 0.21 2.11 9.36 -0.15 -5.01 117.16 125.42 3abl n TYR 22 Ca 0.19 -3.75 0.08 0.00 3.32 0.00 0.00 57.90 57.75 3abl n TYR 22 Cb 0.54 -0.41 0.61 0.00 -0.63 0.00 0.00 39.34 39.45 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 3.53 0.07 -3.69 2.98 0.13 -1.74 -3.35 132.00 129.92 3abl h PRO 23 Ca 0.10 -0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.53 3abl h PRO 23 Cb 0.87 -0.02 -0.35 0.00 0.13 0.00 0.00 31.00 31.63 3abl h PRO 23 CO 0.53 0.05 -0.40 -0.51 -0.23 0.00 0.00 178.00 177.45 3abl s LEU 24 N -9.12 5.21 1.03 1.56 1.43 -1.26 -4.97 118.68 112.56 3abl s LEU 24 Ca -0.05 -2.76 -0.14 0.00 -1.03 0.00 0.00 54.13 50.14 3abl s LEU 24 Cb 0.17 -1.84 0.20 0.00 0.03 0.00 0.00 46.19 44.75 3abl s LEU 24 CO 0.68 -0.38 1.12 -2.84 0.23 0.00 0.00 176.35 175.15 3abl s PRO 25 N 0.07 0.20 0.51 1.29 0.02 -1.26 -4.93 135.00 130.90 3abl s PRO 25 Ca 0.16 0.28 0.30 0.00 0.02 0.00 0.00 61.00 61.76 3abl s PRO 25 Cb -0.21 -1.73 0.98 0.00 0.02 0.00 0.00 34.50 33.56 3abl s PRO 25 CO -0.03 -2.83 1.84 -0.44 -0.33 0.00 0.00 177.00 175.20 3abl h ASP 26 N -1.96 0.00 -5.03 2.53 3.32 -1.94 -3.44 116.42 109.90 3abl h ASP 26 Ca -0.51 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.33 3abl h ASP 26 Cb 1.32 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.72 3abl h ASP 26 CO 0.53 0.00 -0.66 0.68 -1.72 0.00 0.00 179.24 178.07 3abl s VAL 27 N -3.49 0.36 0.40 -1.35 -7.23 -1.26 -4.95 120.40 102.88 3abl s VAL 27 Ca 0.03 -1.91 -0.26 0.00 -1.81 0.00 0.00 61.98 58.03 3abl s VAL 27 Cb 0.07 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 3abl s VAL 27 CO 0.59 -0.62 1.25 0.00 -0.31 0.00 0.00 175.10 176.01 3abl s ALA 28 N -3.86 3.21 0.36 1.32 0.00 -1.26 -4.77 121.76 116.76 3abl s ALA 28 Ca 0.19 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3abl s ALA 28 Cb 0.07 -3.44 0.69 0.00 0.00 0.00 0.00 23.12 20.44 3abl s ALA 28 CO -0.01 -0.71 2.00 1.25 0.00 0.00 0.00 175.76 178.30 3abl h HIS 29 N 2.66 0.75 -3.09 0.00 2.76 -0.42 -3.40 115.15 114.41 3abl h HIS 29 Ca -0.49 0.02 -0.66 0.00 -2.20 0.00 0.00 60.37 57.04 3abl h HIS 29 Cb 1.24 -0.25 -0.35 0.00 1.55 0.00 0.00 27.41 29.60 3abl h HIS 29 CO 0.54 0.45 -0.86 0.08 -1.30 0.00 0.00 177.93 176.85 3abl s VAL 30 N -5.69 1.97 -0.10 5.26 1.01 0.97 -2.47 120.40 121.35 3abl s VAL 30 Ca -0.10 -0.89 0.12 0.00 0.00 0.00 0.00 61.98 61.12 3abl s VAL 30 Cb 0.18 -1.78 -0.18 0.00 0.00 0.00 0.00 36.38 34.60 3abl s VAL 30 CO 0.76 0.53 0.12 2.29 0.00 0.00 0.00 175.10 178.80 3abl n LYS 31 N 4.56 1.46 -3.22 2.72 2.85 -1.26 -4.80 118.16 120.47 3abl n LYS 31 Ca -0.20 -0.04 -0.39 0.00 -1.05 0.00 0.00 58.31 56.63 3abl n LYS 31 Cb 0.50 -1.33 -0.06 0.00 -0.65 0.00 0.00 35.03 33.49 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 -4.31 6.87 -0.07 -5.58 0.02 -1.26 -5.06 114.94 105.55 3abl s ASN 32 Ca -0.06 1.04 0.03 0.00 -1.02 0.00 0.00 52.86 52.85 3abl s ASN 32 Cb 0.05 -2.34 -0.02 0.00 0.02 0.00 0.00 41.25 38.96 3abl s ASN 32 CO 0.55 0.03 -0.15 -0.76 0.02 0.00 0.00 177.10 176.78 3abl s LEU 33 N 0.27 2.67 0.94 0.60 1.43 -1.26 -5.07 118.68 118.25 3abl s LEU 33 Ca 0.31 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3abl s LEU 33 Cb -0.17 -1.55 0.16 0.00 0.03 0.00 0.00 46.19 44.66 3abl s LEU 33 CO 0.15 0.30 1.09 -0.94 0.23 0.00 0.00 176.35 177.17 3abl s SER 34 N -0.43 3.03 0.18 2.29 1.04 -1.26 -4.69 113.70 113.86 3abl s SER 34 Ca 0.05 1.47 -0.23 0.00 0.48 0.00 0.00 55.95 57.72 3abl s SER 34 Cb -0.12 -2.14 0.08 0.00 0.10 0.00 0.00 66.02 63.93 3abl s SER 34 CO 0.02 -2.91 1.58 0.00 0.98 0.00 0.00 173.24 172.91 3abl h ALA 35 N -1.74 -0.17 -0.17 5.32 0.00 -2.00 0.15 119.26 120.65 3abl h ALA 35 Ca -0.51 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3abl h ALA 35 Cb 1.30 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 3abl h ALA 35 CO 0.54 -0.74 -0.32 0.66 0.00 0.00 0.00 179.25 179.39 3abl h SER 36 N -0.21 0.34 -0.63 0.00 4.64 -2.00 -1.69 113.55 114.00 3abl h SER 36 Ca 0.20 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 3abl h SER 36 Cb 0.56 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3abl h SER 36 CO -0.65 0.65 0.03 1.56 -0.87 0.00 0.00 176.83 177.55 3abl h GLN 37 N 0.30 1.10 -0.47 4.77 4.20 -1.77 -1.05 115.11 122.18 3abl h GLN 37 Ca 0.04 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.45 3abl h GLN 37 Cb 0.71 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 3abl h GLN 37 CO 0.05 1.05 0.24 0.87 -0.67 0.00 0.00 178.83 180.37 3abl h LYS 38 N 1.01 0.46 -0.54 1.46 1.57 -0.57 -1.34 116.57 118.62 3abl h LYS 38 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3abl h LYS 38 Cb 0.53 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3abl h LYS 38 CO 0.03 0.31 0.35 0.00 -0.57 0.00 0.00 179.45 179.57 3abl h ALA 39 N 1.25 1.61 -0.05 3.86 0.00 -0.82 -2.23 119.26 122.87 3abl h ALA 39 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3abl h ALA 39 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3abl h ALA 39 CO -0.14 0.36 -0.05 1.25 0.00 0.00 0.00 179.25 180.68 3abl h LEU 40 N 0.73 0.14 -1.72 0.00 5.85 -0.78 -0.42 115.31 119.11 3abl h LEU 40 Ca 0.20 -0.47 0.13 0.00 0.84 0.00 0.00 57.88 58.57 3abl h LEU 40 Cb -0.08 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3abl h LEU 40 CO -0.04 0.58 0.42 0.11 -0.34 0.00 0.00 178.44 179.17 3abl h LYS 41 N -0.31 0.28 -0.16 1.25 1.79 -1.16 0.36 116.57 118.63 3abl h LYS 41 Ca 0.01 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 3abl h LYS 41 Cb 0.54 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3abl h LYS 41 CO 0.01 0.19 -0.10 0.93 -1.08 0.00 0.00 179.45 179.40 3abl h GLU 42 N 0.29 0.35 -0.82 3.15 4.39 -0.88 -3.13 114.58 117.93 3abl h GLU 42 Ca 0.29 -0.17 0.10 0.00 0.34 0.00 0.00 59.36 59.92 3abl h GLU 42 Cb 0.75 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 3abl h GLU 42 CO -0.07 0.69 0.53 -0.22 -1.16 0.00 0.00 179.01 178.79 3abl h LYS 43 N 0.01 0.75 -0.03 2.33 3.64 -0.51 0.10 116.57 122.86 3abl h LYS 43 Ca 0.03 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3abl h LYS 43 Cb 0.60 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3abl h LYS 43 CO 0.03 0.50 0.10 1.49 -2.27 0.00 0.00 179.45 179.29 3abl h GLU 44 N 0.78 0.00 0.00 1.90 4.81 -0.89 -0.79 114.58 120.39 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 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3abl h GLU 44 CO -0.15 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.76 3abl n LYS 45 N -3.30 0.18 -0.73 1.92 5.02 0.35 -4.74 118.16 116.86 3abl n LYS 45 Ca -0.02 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3abl n LYS 45 Cb 0.17 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 3abl n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3abl n ALA 46 N -1.74 0.00 -1.72 7.82 0.00 -0.30 -5.03 120.51 119.54 3abl n ALA 46 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3abl n ALA 46 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 3abl n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3abl n SER 47 N -2.35 3.81 0.25 0.00 2.88 -1.26 -4.87 113.62 112.08 3abl n SER 47 Ca 0.00 1.10 0.15 0.00 -1.33 0.00 0.00 58.87 58.78 3abl n SER 47 Cb 0.00 -1.56 0.51 0.00 -0.75 0.00 0.00 64.21 62.41 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 5.89 0.00 -0.26 0.66 6.55 -1.91 -1.68 115.95 125.20 3abl h TRP 48 Ca -0.45 0.00 0.08 0.00 0.95 0.00 0.00 58.89 59.47 3abl h TRP 48 Cb 1.22 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.51 3abl h TRP 48 CO 0.61 0.03 0.21 0.77 -1.05 0.00 0.00 178.44 179.02 3abl h SER 49 N 0.00 0.00 1.17 -3.49 0.02 -2.00 -1.69 113.55 107.56 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 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3abl h SER 49 CO 0.00 0.00 -0.18 -1.20 -1.14 0.00 0.00 176.83 174.31 3abl n SER 50 N -4.26 0.61 -4.77 3.07 7.64 -0.63 -4.82 113.62 110.46 3abl n SER 50 Ca 0.03 0.39 -0.40 0.00 1.01 0.00 0.00 58.87 59.91 3abl n SER 50 Cb 0.36 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 3abl n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3abl s LEU 51 N -4.05 4.36 0.78 -3.43 2.01 -0.64 -5.04 118.68 112.67 3abl s LEU 51 Ca 0.10 2.52 -0.11 0.00 0.01 0.00 0.00 54.13 56.65 3abl s LEU 51 Cb 0.14 -3.77 0.06 0.00 0.01 0.00 0.00 46.19 42.63 3abl s LEU 51 CO 0.62 -0.54 1.10 -0.94 1.01 0.00 0.00 176.35 177.60 3abl s SER 52 N -0.75 4.68 0.15 2.29 1.04 -1.26 -4.85 113.70 114.98 3abl s SER 52 Ca 0.51 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 58.03 3abl s SER 52 Cb -0.36 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 63.77 3abl s SER 52 CO 0.47 -1.85 1.70 0.40 0.98 0.00 0.00 173.24 174.94 3abl h ILE 53 N -1.00 0.74 -0.83 -1.02 1.08 -1.97 0.15 117.51 114.65 3abl h ILE 53 Ca -0.47 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.07 3abl h ILE 53 Cb 1.27 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.65 3abl h ILE 53 CO 0.60 0.01 0.50 0.44 -0.69 0.00 0.00 178.15 179.01 3abl h ASP 54 N 0.04 0.76 -0.46 1.72 3.45 -1.99 0.11 116.42 120.04 3abl h ASP 54 Ca 0.14 0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.55 3abl h ASP 54 Cb 0.21 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3abl h ASP 54 CO -0.27 0.46 -0.01 -0.33 -1.57 0.00 0.00 179.24 177.52 3abl h GLU 55 N 0.88 0.88 -0.40 3.56 5.08 -1.79 -1.25 114.58 121.54 3abl h GLU 55 Ca 0.38 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3abl h GLU 55 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3abl h GLU 55 CO -0.20 0.89 -0.10 0.87 -1.00 0.00 0.00 179.01 179.46 3abl h LYS 56 N 0.81 0.77 -0.82 2.33 1.57 0.28 -1.08 116.57 120.45 3abl h LYS 56 Ca 0.15 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3abl h LYS 56 Cb 0.50 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3abl h LYS 56 CO 0.03 0.91 0.52 0.28 -0.57 0.00 0.00 179.45 180.62 3abl h VAL 57 N 0.59 1.13 -0.37 0.50 2.07 -0.84 -1.83 116.25 117.49 3abl h VAL 57 Ca 0.10 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3abl h VAL 57 Cb 0.62 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3abl h VAL 57 CO 0.04 0.19 -0.37 -0.08 0.02 0.00 0.00 177.57 177.37 3abl h GLU 58 N 1.02 0.88 -0.69 1.57 4.81 -0.91 -0.13 114.58 121.13 3abl h GLU 58 Ca 0.33 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3abl h GLU 58 Cb 0.01 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3abl h GLU 58 CO -0.11 1.10 0.30 -0.07 -0.73 0.00 0.00 179.01 179.49 3abl h LEU 59 N 0.73 0.92 -0.36 1.64 3.38 -0.84 -1.79 115.31 118.98 3abl h LEU 59 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3abl h LEU 59 Cb 0.94 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3abl h LEU 59 CO 0.09 0.81 0.14 0.22 0.09 0.00 0.00 178.44 179.78 3abl h TYR 60 N 0.99 0.56 0.00 1.13 3.20 -0.49 -2.65 116.97 119.71 3abl h TYR 60 Ca 0.24 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3abl h TYR 60 Cb 0.16 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3abl h TYR 60 CO 0.01 0.52 -0.07 0.00 -1.64 0.00 0.00 178.16 176.98 3abl h ARG 61 N 0.44 0.00 -0.33 1.82 2.47 -0.80 0.04 114.38 118.02 3abl h ARG 61 Ca 0.12 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.67 3abl h ARG 61 Cb 0.21 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3abl h ARG 61 CO -0.01 0.07 -0.47 -0.07 0.56 0.00 0.00 179.97 180.06 3abl h LEU 62 N 0.00 0.97 0.16 3.04 3.38 -1.06 -3.35 115.31 118.45 3abl h LEU 62 Ca -0.00 -0.49 -0.30 0.00 0.09 0.00 0.00 57.88 57.19 3abl h LEU 62 Cb 0.61 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.10 3abl h LEU 62 CO 0.01 1.28 -1.31 0.50 0.09 0.00 0.00 178.44 179.01 3abl h LYS 63 N 0.71 0.38 -5.22 1.13 1.63 -1.07 0.28 116.57 114.41 3abl h LYS 63 Ca 0.04 -0.64 -0.37 0.00 -0.85 0.00 0.00 60.65 58.83 3abl h LYS 63 Cb 1.07 0.23 -0.14 0.00 -0.60 0.00 0.00 32.23 32.79 3abl h LYS 63 CO 0.11 1.30 -0.71 -0.06 -3.45 0.00 0.00 179.45 176.63 3abl s PHE 64 N -2.68 1.43 -0.09 1.91 0.40 -0.05 -0.31 117.98 118.60 3abl s PHE 64 Ca -0.06 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.48 3abl s PHE 64 Cb 0.06 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 3abl s PHE 64 CO 0.91 0.16 -0.14 1.17 0.70 0.00 0.00 175.22 178.01 3abl n LYS 65 N -0.27 0.27 -4.10 0.44 4.81 -1.26 -4.34 118.16 113.71 3abl n LYS 65 Ca -0.09 0.29 -0.31 0.00 -0.87 0.00 0.00 58.31 57.33 3abl n LYS 65 Cb 0.61 -1.18 -0.07 0.00 0.02 0.00 0.00 35.03 34.41 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 -1.85 2.81 0.72 1.64 2.02 -1.26 -4.97 118.70 117.81 3abl s GLU 66 Ca -0.12 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.07 3abl s GLU 66 Cb 0.02 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.59 3abl s GLU 66 CO 0.17 0.58 1.10 -1.54 0.02 0.00 0.00 175.26 175.59 3abl s SER 67 N -2.19 5.21 0.19 -0.19 1.04 -1.26 -4.81 113.70 111.68 3abl s SER 67 Ca 0.26 1.00 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 3abl s SER 67 Cb -0.12 -1.73 0.20 0.00 0.10 0.00 0.00 66.02 64.47 3abl s SER 67 CO 0.19 -1.47 1.72 -0.26 0.98 0.00 0.00 173.24 174.40 3abl h PHE 68 N -0.72 0.22 -0.70 5.02 -1.00 -2.00 -0.30 116.94 117.46 3abl h PHE 68 Ca -0.45 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.35 3abl h PHE 68 Cb 1.27 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.78 3abl h PHE 68 CO 0.45 0.02 0.39 0.00 -1.61 0.00 0.00 178.31 177.56 3abl h ALA 69 N 1.38 1.38 0.43 2.45 0.00 -1.96 -0.26 119.26 122.68 3abl h ALA 69 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3abl h ALA 69 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3abl h ALA 69 CO -0.31 0.52 -0.21 0.93 0.00 0.00 0.00 179.25 180.18 3abl h GLU 70 N 0.97 -0.55 0.00 0.00 5.08 -1.86 -3.04 114.58 115.17 3abl h GLU 70 Ca 0.25 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3abl h GLU 70 Cb 0.01 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3abl h GLU 70 CO -0.04 -0.33 -0.24 0.00 -1.00 0.00 0.00 179.01 177.40 3abl h MET 71 N -0.65 0.00 -0.61 2.33 -0.00 -0.64 -2.91 114.93 112.45 3abl h MET 71 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 3abl h MET 71 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 3abl h MET 71 CO 0.10 0.24 0.00 0.09 -0.00 0.00 0.00 176.91 177.34 3abl n ASN 72 N -3.56 3.39 -4.79 -0.10 3.02 -0.15 -5.00 115.26 108.07 3abl n ASN 72 Ca -0.01 -2.08 -0.36 0.00 -0.03 0.00 0.00 54.58 52.10 3abl n ASN 72 Cb 0.39 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.34 3.99 0.66 3.52 1.70 -1.10 -5.03 118.95 121.35 3abl s ARG 73 Ca 0.41 1.48 -0.07 0.00 -0.47 0.00 0.00 55.73 57.07 3abl s ARG 73 Cb 0.22 -2.36 0.03 0.00 -0.57 0.00 0.00 34.95 32.27 3abl s ARG 73 CO 0.26 -0.29 0.99 -1.54 -1.08 0.00 0.00 175.30 173.63 3abl s SER 74 N -1.70 5.21 0.30 -2.89 1.04 -1.26 -5.09 113.70 109.31 3abl s SER 74 Ca 0.62 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.74 3abl s SER 74 Cb -0.21 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 3abl s SER 74 CO 0.25 -1.35 0.12 0.42 0.98 0.00 0.00 173.24 173.67 3abl s THR 75 N -3.17 0.50 -1.80 2.02 -4.23 -1.26 -5.04 115.64 102.66 3abl s THR 75 Ca 0.57 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.23 3abl s THR 75 Cb -0.11 -2.57 0.47 0.00 1.34 0.00 0.00 72.50 71.63 3abl s THR 75 CO 0.46 0.00 1.37 0.59 -0.54 0.00 0.00 174.62 176.50 3abl n ASN 76 N -0.75 2.94 -0.26 3.99 3.02 -1.26 -4.56 115.26 118.38 3abl n ASN 76 Ca -0.00 -2.09 0.26 0.00 -0.03 0.00 0.00 54.58 52.72 3abl n ASN 76 Cb 0.66 -0.38 0.62 0.00 -0.61 0.00 0.00 39.78 40.06 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 2.95 0.20 -0.50 3.52 4.81 -2.01 -1.93 114.58 121.63 3abl h GLU 77 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3abl h GLU 77 Cb 0.79 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3abl h GLU 77 CO 0.05 0.13 0.16 0.11 -0.73 0.00 0.00 179.01 178.73 3abl h TRP 78 N 0.21 0.74 -0.30 0.92 5.08 -2.00 -1.17 115.95 119.43 3abl h TRP 78 Ca 0.50 -0.05 -0.03 0.00 1.08 0.00 0.00 58.89 60.40 3abl h TRP 78 Cb 1.61 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.53 3abl h TRP 78 CO -0.00 0.60 0.09 0.87 -1.28 0.00 0.00 178.44 178.72 3abl h LYS 79 N 0.72 0.48 -0.63 0.12 1.57 -1.71 0.20 116.57 117.32 3abl h LYS 79 Ca 0.17 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3abl h LYS 79 Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3abl h LYS 79 CO -0.01 0.53 0.38 1.15 -0.57 0.00 0.00 179.45 180.92 3abl h THR 80 N 0.33 1.05 -0.01 -0.16 2.02 -1.52 0.33 112.91 114.96 3abl h THR 80 Ca 0.10 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3abl h THR 80 Cb 0.25 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3abl h THR 80 CO -0.00 0.13 0.00 0.58 0.37 0.00 0.00 175.52 176.60 3abl h VAL 81 N 0.73 1.22 -0.43 3.16 2.07 -0.98 -1.02 116.25 121.01 3abl h VAL 81 Ca 0.26 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3abl h VAL 81 Cb 0.06 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3abl h VAL 81 CO -0.12 0.17 0.11 0.58 0.02 0.00 0.00 177.57 178.34 3abl h VAL 82 N -0.27 1.23 -0.18 2.57 2.07 -0.99 -0.31 116.25 120.36 3abl h VAL 82 Ca 0.00 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3abl h VAL 82 Cb 0.28 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3abl h VAL 82 CO 0.00 0.27 0.07 1.23 0.02 0.00 0.00 177.57 179.16 3abl h GLY 83 N 0.55 0.30 1.06 2.17 0.00 -0.91 -1.62 103.07 104.62 3abl h GLY 83 Ca 0.13 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 3abl h GLY 83 CO -0.00 0.16 -0.10 0.00 0.00 0.00 0.00 176.54 176.60 3abl h ALA 84 N 0.90 0.69 -0.05 3.60 0.00 -1.10 -1.01 119.26 122.29 3abl h ALA 84 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3abl h ALA 84 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3abl h ALA 84 CO -0.00 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 3abl h ALA 85 N 0.90 0.02 -0.75 0.00 0.00 -0.90 -1.25 119.26 117.29 3abl h ALA 85 Ca 0.13 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3abl h ALA 85 Cb 0.65 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3abl h ALA 85 CO 0.04 -0.50 0.50 0.52 0.00 0.00 0.00 179.25 179.81 3abl h MET 86 N -0.01 0.53 0.12 0.00 2.07 -1.04 -1.07 114.93 115.52 3abl h MET 86 Ca 0.03 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 3abl h MET 86 Cb 0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 3abl h MET 86 CO -0.06 0.35 -0.06 0.35 1.07 0.00 0.00 176.91 178.56 3abl h PHE 87 N 0.54 -0.15 0.00 -0.22 3.57 -0.08 0.45 116.94 121.06 3abl h PHE 87 Ca 0.36 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 3abl h PHE 87 Cb 0.65 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3abl h PHE 87 CO -0.00 0.03 -0.46 0.74 -2.23 0.00 0.00 178.31 176.39 3abl h PHE 88 N -0.30 0.00 -0.38 0.41 -1.00 -1.08 0.20 116.94 114.80 3abl h PHE 88 Ca -0.02 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.61 3abl h PHE 88 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3abl h PHE 88 CO -0.03 0.46 -0.38 0.82 -1.61 0.00 0.00 178.31 177.57 3abl h ILE 89 N 0.00 1.27 -0.16 -0.55 2.04 -0.92 -1.32 117.51 117.86 3abl h ILE 89 Ca -0.00 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 3abl h ILE 89 Cb 0.86 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3abl h ILE 89 CO 0.06 0.52 0.10 1.23 0.00 0.00 0.00 178.15 180.06 3abl h GLY 90 N 0.81 0.24 0.04 5.37 0.00 0.27 -2.35 103.07 107.44 3abl h GLY 90 Ca 0.06 -0.10 0.21 0.00 0.00 0.00 0.00 47.33 47.50 3abl h GLY 90 CO 0.09 0.10 0.60 -2.75 0.00 0.00 0.00 176.54 174.58 3abl h PHE 91 N 0.19 1.05 -0.37 5.60 3.57 -0.42 -1.16 116.94 125.39 3abl h PHE 91 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3abl h PHE 91 Cb 0.03 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 3abl h PHE 91 CO -0.05 0.18 0.22 1.15 -2.23 0.00 0.00 178.31 177.57 3abl h THR 92 N 0.70 1.11 -0.45 4.41 2.02 -0.70 -1.72 112.91 118.29 3abl h THR 92 Ca 0.60 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 3abl h THR 92 Cb 1.00 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3abl h THR 92 CO -0.41 0.12 0.11 0.00 0.37 0.00 0.00 175.52 175.70 3abl h ALA 93 N 1.73 1.35 -0.78 6.16 0.00 -1.04 -1.95 119.26 124.73 3abl h ALA 93 Ca 0.13 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3abl h ALA 93 Cb -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3abl h ALA 93 CO -0.02 0.46 0.51 -0.07 0.00 0.00 0.00 179.25 180.13 3abl h LEU 94 N 0.65 0.76 -0.51 0.00 3.38 -1.31 0.27 115.31 118.56 3abl h LEU 94 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3abl h LEU 94 Cb 0.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3abl h LEU 94 CO -0.00 0.49 -0.23 -0.07 0.09 0.00 0.00 178.44 178.72 3abl h LEU 95 N 0.86 1.00 -0.33 1.67 3.38 -1.22 -0.68 115.31 120.00 3abl h LEU 95 Ca 0.33 -0.38 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 3abl h LEU 95 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3abl h LEU 95 CO -0.11 1.18 -0.80 -0.07 0.09 0.00 0.00 178.44 178.73 3abl h LEU 96 N 0.83 0.47 -0.50 1.67 3.38 -1.22 -0.78 115.31 119.16 3abl h LEU 96 Ca 0.10 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3abl h LEU 96 Cb 0.81 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3abl h LEU 96 CO 0.07 1.10 0.31 0.40 0.09 0.00 0.00 178.44 180.41 3abl h ILE 97 N 0.25 1.08 -0.40 1.22 2.04 -0.57 -1.28 117.51 119.83 3abl h ILE 97 Ca -0.04 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3abl h ILE 97 Cb 1.39 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3abl h ILE 97 CO 0.14 0.11 0.15 -0.25 0.00 0.00 0.00 178.15 178.30 3abl h TRP 98 N 0.63 0.63 -0.81 1.37 7.01 -1.00 -1.30 115.95 122.48 3abl h TRP 98 Ca 0.20 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.16 3abl h TRP 98 Cb -0.01 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 3abl h TRP 98 CO -0.06 0.56 0.53 1.49 -2.79 0.00 0.00 178.44 178.18 3abl h GLU 99 N 0.51 1.02 -0.08 2.65 4.81 -0.87 0.23 114.58 122.86 3abl h GLU 99 Ca 0.13 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3abl h GLU 99 Cb 0.21 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3abl h GLU 99 CO -0.01 0.68 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.22 3abl h LYS 100 N 1.05 0.22 0.01 1.92 1.63 -0.80 0.22 116.57 120.82 3abl h LYS 100 Ca 0.31 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3abl h LYS 100 Cb -0.06 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3abl h LYS 100 CO -0.09 0.68 -0.16 1.25 -3.45 0.00 0.00 179.45 177.69 3abl h HIS 101 N 0.17 0.14 0.00 1.91 2.76 -0.84 -3.36 115.15 115.93 3abl h HIS 101 Ca 0.00 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3abl h HIS 101 Cb 0.97 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.91 3abl h HIS 101 CO 0.02 0.94 -1.69 0.66 -1.30 0.00 0.00 177.93 176.56 3abl n TYR 102 N -4.56 0.00 -0.10 5.26 4.01 0.78 -4.72 117.16 117.83 3abl n TYR 102 Ca -0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.44 3abl n TYR 102 Cb 0.49 -0.35 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.03 1.19 -2.76 -0.72 0.31 0.66 -5.00 118.33 109.98 3abl n VAL 103 Ca -0.02 -0.23 -0.40 0.00 -0.01 0.00 0.00 64.34 63.68 3abl n VAL 103 Cb 0.46 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.42 3.96 0.00 3.52 4.12 -0.56 -5.03 117.35 120.94 3abl s TYR 104 Ca -0.28 1.90 0.00 0.00 0.02 0.00 0.00 57.07 58.71 3abl s TYR 104 Cb 0.10 -2.97 0.00 0.00 -1.52 0.00 0.00 41.96 37.57 3abl s TYR 104 CO 0.36 0.44 0.00 0.41 0.02 0.00 0.00 175.55 176.78 3abl n GLY 105 N 1.42 0.96 3.76 0.71 0.00 -1.26 -4.80 105.19 105.97 3abl n GLY 105 Ca -0.02 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 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 0.28 3.48 0.81 1.61 0.04 -1.26 -5.03 135.00 134.94 3abl s PRO 106 Ca 0.00 1.93 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 3abl s PRO 106 Cb 0.00 -2.31 0.13 0.00 0.04 0.00 0.00 34.50 32.37 3abl s PRO 106 CO 0.00 -0.83 1.13 0.96 0.04 0.00 0.00 177.00 178.30 3abl s ILE 107 N -1.47 2.12 0.61 0.56 -4.36 -1.26 -5.01 121.20 112.39 3abl s ILE 107 Ca 0.68 -0.25 -0.19 0.00 -0.26 0.00 0.00 60.65 60.63 3abl s ILE 107 Cb -0.33 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.49 3abl s ILE 107 CO 0.39 0.00 1.25 -2.84 0.24 0.00 0.00 174.94 173.98 3abl s PRO 108 N -5.47 2.79 0.44 0.37 0.02 -1.26 -4.89 135.00 127.01 3abl s PRO 108 Ca 0.67 1.95 0.30 0.00 0.02 0.00 0.00 61.00 63.94 3abl s PRO 108 Cb -0.07 -1.90 1.58 0.00 0.02 0.00 0.00 34.50 34.13 3abl s PRO 108 CO 0.48 -1.38 1.92 1.12 -0.33 0.00 0.00 177.00 178.81 3abl h HIS 109 N 0.76 0.00 0.00 6.54 2.07 -2.01 -2.67 115.15 119.85 3abl h HIS 109 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 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 -2.59 0.74 0.56 6.12 -2.24 -1.26 -1.87 114.28 113.74 3abl n THR 110 Ca -0.01 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 3abl n THR 110 Cb 0.09 -1.05 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 -1.25 0.18 -2.07 4.78 3.01 -1.01 -4.18 117.46 116.92 3abl n PHE 111 Ca 0.04 -0.11 -0.36 0.00 1.01 0.00 0.00 57.45 58.03 3abl n PHE 111 Cb 0.06 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.55 3abl n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3abl s GLU 112 N -1.48 3.09 0.17 -1.08 2.02 -0.78 -4.79 118.70 115.84 3abl s GLU 112 Ca 0.27 1.79 -0.15 0.00 0.02 0.00 0.00 54.97 56.90 3abl s GLU 112 Cb 0.17 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.49 3abl s GLU 112 CO 0.25 -1.11 1.82 1.49 0.02 0.00 0.00 175.26 177.73 3abl h GLU 113 N 1.01 0.59 -0.39 1.61 4.81 -1.93 -1.46 114.58 118.82 3abl h GLU 113 Ca -0.50 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 3abl h GLU 113 Cb 1.29 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3abl h GLU 113 CO 0.56 0.39 -0.17 1.49 -0.73 0.00 0.00 179.01 180.55 3abl h GLU 114 N 0.61 0.73 -0.04 1.92 4.81 -1.96 -0.90 114.58 119.75 3abl h GLU 114 Ca 0.18 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3abl h GLU 114 Cb -0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3abl h GLU 114 CO -0.06 0.86 -0.07 2.35 -0.73 0.00 0.00 179.01 181.36 3abl h TRP 115 N 0.65 -0.18 -0.55 0.92 2.91 -1.63 -2.04 115.95 116.03 3abl h TRP 115 Ca 0.10 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.18 3abl h TRP 115 Cb 0.65 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.34 3abl h TRP 115 CO 0.03 -0.12 0.29 0.28 -1.03 0.00 0.00 178.44 177.89 3abl h VAL 116 N -0.11 0.96 -0.58 2.65 2.07 -1.17 -0.53 116.25 119.53 3abl h VAL 116 Ca 0.04 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3abl h VAL 116 Cb 0.17 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3abl h VAL 116 CO -0.10 0.10 0.31 0.00 0.02 0.00 0.00 177.57 177.89 3abl h ALA 117 N 1.30 0.75 -0.22 1.67 0.00 -1.00 0.17 119.26 121.93 3abl h ALA 117 Ca 0.24 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3abl h ALA 117 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3abl h ALA 117 CO -0.17 -0.03 -0.40 0.87 0.00 0.00 0.00 179.25 179.52 3abl h LYS 118 N 0.58 0.51 -0.18 0.00 1.57 -0.92 -1.84 116.57 116.29 3abl h LYS 118 Ca 0.26 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3abl h LYS 118 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3abl h LYS 118 CO -0.17 0.83 -0.52 0.37 -0.57 0.00 0.00 179.45 179.39 3abl h GLN 119 N 0.42 0.51 -0.27 3.15 4.15 -0.84 -0.24 115.11 121.99 3abl h GLN 119 Ca 0.04 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 3abl h GLN 119 Cb 0.89 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 3abl h GLN 119 CO 0.08 0.90 0.00 1.15 -1.93 0.00 0.00 178.83 179.03 3abl h THR 120 N 0.40 1.26 0.01 2.39 2.02 -0.55 -0.41 112.91 118.02 3abl h THR 120 Ca 0.01 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.29 3abl h THR 120 Cb 1.04 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 3abl h THR 120 CO 0.10 0.29 -0.09 0.50 0.37 0.00 0.00 175.52 176.69 3abl h LYS 121 N 0.27 -0.16 -0.72 6.66 3.64 -0.77 -1.65 116.57 123.84 3abl h LYS 121 Ca 0.08 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3abl h LYS 121 Cb 0.42 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3abl h LYS 121 CO 0.01 -0.10 0.47 -0.09 -2.27 0.00 0.00 179.45 177.47 3abl h ARG 122 N -0.16 0.65 -0.59 1.90 2.43 -0.83 0.51 114.38 118.28 3abl h ARG 122 Ca 0.03 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3abl h ARG 122 Cb 0.20 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3abl h ARG 122 CO -0.09 0.43 0.03 0.52 -1.51 0.00 0.00 179.97 179.35 3abl h MET 123 N 0.67 1.01 -0.50 0.20 2.86 -0.43 0.88 114.93 119.62 3abl h MET 123 Ca 0.32 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3abl h MET 123 Cb 0.38 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3abl h MET 123 CO -0.11 0.97 -0.07 -0.07 1.06 0.00 0.00 176.91 178.69 3abl h LEU 124 N 0.93 0.92 -1.18 1.22 3.38 -0.34 0.20 115.31 120.44 3abl h LEU 124 Ca 0.17 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3abl h LEU 124 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3abl h LEU 124 CO 0.02 1.05 -0.12 0.44 0.09 0.00 0.00 178.44 179.92 3abl h ASP 125 N 0.78 0.41 -0.22 -0.43 3.45 0.53 -0.65 116.42 120.30 3abl h ASP 125 Ca 0.13 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3abl h ASP 125 Cb 0.62 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3abl h ASP 125 CO 0.04 0.56 0.00 1.15 -1.57 0.00 0.00 179.24 179.42 3abl n MET 126 N -4.22 1.80 -3.49 3.56 0.00 0.25 -4.94 117.12 110.06 3abl n MET 126 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 57.70 56.30 3abl n MET 126 Cb 0.30 -1.38 0.08 0.00 0.00 0.00 0.00 33.22 32.23 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 0.43 -7.19 -1.67 3.17 4.76 -0.25 -4.90 118.16 112.51 3abl n LYS 127 Ca 0.16 0.83 -0.51 0.00 -2.87 0.00 0.00 58.31 55.91 3abl n LYS 127 Cb 0.34 -5.83 -0.06 0.00 -1.84 0.00 0.00 35.03 27.64 3abl n LYS 127 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3abl n VAL 128 N -4.52 0.29 -3.56 -0.18 0.31 0.60 -3.45 118.33 107.81 3abl n VAL 128 Ca -0.14 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 3abl n VAL 128 Cb 0.62 -1.42 0.02 0.00 -0.91 0.00 0.00 33.84 32.15 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 4.93 -2.60 0.79 3.52 0.00 -1.26 0.02 120.51 125.91 3abl n ALA 129 Ca 0.22 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3abl n ALA 129 Cb 0.22 -2.79 0.31 0.00 0.00 0.00 0.00 19.45 17.19 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 -3.27 0.14 -0.02 0.00 -0.04 -1.22 -0.61 135.00 129.98 3abl n PRO 130 Ca -0.12 0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 3abl n PRO 130 Cb 0.59 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.00 1.49 0.00 0.52 5.03 -1.91 -3.19 117.51 119.45 3abl h ILE 131 Ca 0.00 -2.41 0.00 0.00 -0.12 0.00 0.00 64.86 62.33 3abl h ILE 131 Cb 0.62 3.10 0.00 0.00 -3.03 0.00 0.00 36.82 37.52 3abl h ILE 131 CO 0.00 0.63 0.00 0.00 -0.68 0.00 0.00 178.15 178.10 3abl n GLN 132 N -4.32 0.00 0.11 2.37 6.02 -1.25 -4.79 117.38 115.52 3abl n GLN 132 Ca -0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.65 3abl n GLN 132 Cb 0.69 -0.37 -0.15 0.00 1.02 0.00 0.00 30.24 31.43 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 0.40 0.00 1.08 0.00 -1.85 -3.43 103.07 99.26 3abl h GLY 133 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.32 3abl h GLY 133 CO 0.00 0.89 0.00 0.33 0.00 0.00 0.00 176.54 177.76 3abl n PHE 134 N -3.58 -0.05 0.25 5.60 7.35 0.22 -4.90 117.46 122.35 3abl n PHE 134 Ca -0.11 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.69 3abl n PHE 134 Cb 1.05 0.27 0.72 0.00 0.35 0.00 0.00 39.48 41.87 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 -0.12 -2.13 0.02 0.67 -0.55 113.55 111.45 3abl h SER 135 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3abl h SER 135 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3abl h SER 135 CO 0.00 0.00 0.20 0.00 -1.14 0.00 0.00 176.83 175.89 3abl h ALA 136 N 1.97 1.57 -0.09 3.77 0.00 -1.50 -0.74 119.26 124.25 3abl h ALA 136 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3abl h ALA 136 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3abl h ALA 136 CO -0.00 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.62 3abl n LYS 137 N -3.49 2.14 -3.95 0.00 5.02 -0.21 -4.87 118.16 112.79 3abl n LYS 137 Ca 0.00 -1.67 -0.36 0.00 -2.02 0.00 0.00 58.31 54.26 3abl n LYS 137 Cb 0.30 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.91 3.49 -0.48 2.13 -0.11 -0.28 -0.96 118.94 120.83 3abl s TRP 138 Ca 0.33 0.43 -0.17 0.00 1.22 0.00 0.00 56.10 57.91 3abl s TRP 138 Cb 0.20 -1.94 0.06 0.00 -1.50 0.00 0.00 33.47 30.29 3abl s TRP 138 CO 0.31 0.62 0.47 0.34 -4.62 0.00 0.00 176.95 174.07 3abl s ASP 139 N -0.80 6.17 0.25 5.86 -1.08 0.13 -4.74 116.67 122.46 3abl s ASP 139 Ca 0.13 -1.12 0.25 0.00 -0.52 0.00 0.00 52.55 51.30 3abl s ASP 139 Cb -0.12 -2.22 0.88 0.00 -1.46 0.00 0.00 42.92 40.01 3abl s ASP 139 CO 0.03 -0.71 1.75 1.88 0.52 0.00 0.00 175.17 178.64 3abl h TYR 140 N 8.82 0.00 0.00 -5.34 0.05 -1.93 0.12 116.97 118.70 3abl h TYR 140 Ca -0.28 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.41 3abl h TYR 140 Cb 1.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 3abl h TYR 140 CO 0.67 0.00 -0.66 -0.44 -1.05 0.00 0.00 178.16 176.68 3abl h ASP 141 N 0.00 0.00 0.57 3.88 3.45 -1.95 -3.38 116.42 118.99 3abl h ASP 141 Ca 0.00 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3abl h ASP 141 Cb 0.59 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 3abl h ASP 141 CO 0.00 1.03 -0.03 0.29 -1.57 0.00 0.00 179.24 178.96 3abl n LYS 142 N -4.57 0.43 -3.65 3.56 5.02 -1.22 -4.94 118.16 112.79 3abl n LYS 142 Ca -0.16 -0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 3abl n LYS 142 Cb 0.41 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.26 -1.84 -3.70 4.39 4.05 0.40 -5.00 115.26 112.29 3abl n ASN 143 Ca 0.14 -0.76 -0.09 0.00 0.45 0.00 0.00 54.58 54.32 3abl n ASN 143 Cb 0.26 -4.34 -0.03 0.00 1.23 0.00 0.00 39.78 36.90 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 -5.89 1.78 0.18 1.20 -1.05 -1.01 -5.00 118.70 108.91 3abl s GLU 144 Ca 0.07 -1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 53.35 3abl s GLU 144 Cb -0.04 0.54 -0.09 0.00 -0.44 0.00 0.00 34.13 34.11 3abl s GLU 144 CO 0.79 -0.79 1.35 -1.58 0.95 0.00 0.00 175.26 175.98 3abl s TRP 145 N -3.61 3.23 0.30 4.83 0.52 -1.26 0.19 118.94 123.13 3abl s TRP 145 Ca 0.18 1.13 -0.27 0.00 0.02 0.00 0.00 56.10 57.16 3abl s TRP 145 Cb -0.03 -3.65 -0.14 0.00 -1.15 0.00 0.00 33.47 28.50 3abl s TRP 145 CO 0.10 -2.10 0.93 1.63 0.02 0.00 0.00 176.95 177.52 3abl n LYS 146 N 2.93 1.16 0.00 4.98 5.02 -0.13 -4.76 118.16 127.35 3abl n LYS 146 Ca 0.08 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 3abl n LYS 146 Cb 0.42 -1.75 0.32 0.00 -0.02 0.00 0.00 35.03 34.01 3abl n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51