#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n VAL 5 N 0.00 4.63 -1.96 0.44 0.31 -1.26 -5.05 118.33 115.44 3abm n VAL 5 Ca 0.00 -4.98 -0.41 0.00 -0.01 0.00 0.00 64.34 58.94 3abm n VAL 5 Cb 0.00 -2.32 -0.02 0.00 -0.91 0.00 0.00 33.84 30.59 3abm n VAL 5 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3abm s VAL 6 N -0.47 2.54 0.14 2.52 1.01 -1.26 -5.09 120.40 119.80 3abm s VAL 6 Ca 0.37 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.82 3abm s VAL 6 Cb 0.04 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.15 3abm s VAL 6 CO 0.02 0.07 0.15 0.29 0.00 0.00 0.00 175.10 175.63 3abm n LYS 7 N 2.37 1.11 -0.03 2.72 5.02 -1.26 -5.13 118.16 122.96 3abm n LYS 7 Ca 0.07 -0.83 -0.00 0.00 -2.02 0.00 0.00 58.31 55.53 3abm n LYS 7 Cb 0.40 0.02 -0.00 0.00 -0.02 0.00 0.00 35.03 35.43 3abm n LYS 7 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3abm h SER 8 N 0.10 0.00 -0.04 4.39 0.02 -2.06 -3.37 113.55 112.59 3abm h SER 8 Ca -0.08 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.26 3abm h SER 8 Cb 0.32 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.87 3abm h SER 8 CO 0.12 0.27 3.24 -1.84 -1.14 0.00 0.00 176.83 177.49 3abm n GLU 9 N -3.44 3.50 0.00 3.45 0.00 -1.26 -3.03 120.64 119.86 3abm n GLU 9 Ca -0.00 -2.08 0.00 0.00 0.00 0.00 0.00 57.16 55.08 3abm n GLU 9 Cb 0.02 -2.68 0.00 0.00 0.00 0.00 0.00 31.44 28.77 3abm n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3abm n ASP 10 N 3.37 1.29 0.25 -1.84 9.92 -1.26 -4.38 116.55 123.90 3abm n ASP 10 Ca 0.74 -0.13 0.11 0.00 -0.53 0.00 0.00 54.79 54.98 3abm n ASP 10 Cb 0.32 0.51 0.61 0.00 -0.64 0.00 0.00 41.12 41.92 3abm n ASP 10 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 3abm h TYR 11 N 0.00 0.00 -0.02 1.24 -0.00 -1.80 -1.66 116.97 114.73 3abm h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3abm h TYR 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3abm h TYR 11 CO 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 178.03 3abm n ALA 12 N -1.75 2.81 -2.50 0.10 0.00 -1.26 -4.95 120.51 112.96 3abm n ALA 12 Ca -0.01 -0.55 -0.28 0.00 0.00 0.00 0.00 53.44 52.59 3abm n ALA 12 Cb 0.33 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 3abm n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3abm s LEU 13 N -2.18 2.75 0.28 0.00 1.43 -0.62 -5.09 118.68 115.24 3abm s LEU 13 Ca 0.29 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3abm s LEU 13 Cb 0.20 -1.54 -0.14 0.00 0.03 0.00 0.00 46.19 44.74 3abm s LEU 13 CO 0.40 0.15 1.14 -2.65 0.23 0.00 0.00 176.35 175.62 3abm n PRO 14 N 0.55 1.57 -4.69 1.29 -0.02 -1.26 -4.99 135.00 127.45 3abm n PRO 14 Ca -0.14 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 3abm n PRO 14 Cb 0.54 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 3abm n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3abm s SER 15 N -0.33 3.80 0.00 2.55 1.04 -1.26 -4.88 113.70 114.62 3abm s SER 15 Ca 0.61 -1.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 3abm s SER 15 Cb -0.69 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 3abm s SER 15 CO 0.58 -0.81 0.34 -0.47 0.98 0.00 0.00 173.24 173.86 3abm s TYR 16 N -2.93 3.64 0.01 5.02 5.04 -1.26 -4.00 117.35 122.86 3abm s TYR 16 Ca 0.14 0.79 -0.02 0.00 -2.44 0.00 0.00 57.07 55.54 3abm s TYR 16 Cb 0.03 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.19 3abm s TYR 16 CO 0.07 0.62 0.02 0.14 -1.34 0.00 0.00 175.55 175.06 3abm s VAL 17 N -1.20 0.08 -0.43 3.14 -7.23 -1.26 -5.06 120.40 108.44 3abm s VAL 17 Ca 0.25 -0.65 -0.11 0.00 -1.81 0.00 0.00 61.98 59.66 3abm s VAL 17 Cb -0.15 -0.25 0.07 0.00 0.56 0.00 0.00 36.38 36.62 3abm s VAL 17 CO 0.14 -0.36 0.30 -1.81 -0.31 0.00 0.00 175.10 173.06 3abm s ASP 18 N -1.09 5.82 -0.07 4.85 -0.00 -1.26 -4.61 116.67 120.31 3abm s ASP 18 Ca -0.12 -1.41 -0.03 0.00 -0.00 0.00 0.00 52.55 50.99 3abm s ASP 18 Cb -0.07 -2.06 0.04 0.00 -0.00 0.00 0.00 42.92 40.83 3abm s ASP 18 CO -0.00 -0.57 0.14 -0.60 -0.00 0.00 0.00 175.17 174.15 3abm s ARG 19 N 1.51 0.05 0.33 8.23 3.52 -1.26 -5.03 118.95 126.29 3abm s ARG 19 Ca 0.03 0.46 0.06 0.00 -0.13 0.00 0.00 55.73 56.15 3abm s ARG 19 Cb -0.23 -0.24 0.72 0.00 -1.56 0.00 0.00 34.95 33.63 3abm s ARG 19 CO 0.04 -0.24 1.85 0.00 -0.81 0.00 0.00 175.30 176.14 3abm h ARG 20 N 7.84 0.79 -0.24 5.12 3.08 -1.97 0.00 114.38 129.00 3abm h ARG 20 Ca -0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3abm h ARG 20 Cb 1.13 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3abm h ARG 20 CO 0.28 0.52 0.00 -0.40 -1.07 0.00 0.00 179.97 179.30 3abm n ASP 21 N -4.59 1.71 -3.22 7.04 5.75 -1.26 -4.15 116.55 117.83 3abm n ASP 21 Ca 0.18 -1.83 -0.24 0.00 -0.01 0.00 0.00 54.79 52.89 3abm n ASP 21 Cb 0.43 -0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 40.29 3abm n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abm n TYR 22 N 0.38 -0.27 0.15 2.11 9.36 -0.01 -5.02 117.16 123.85 3abm n TYR 22 Ca 0.14 -3.56 0.02 0.00 3.32 0.00 0.00 57.90 57.83 3abm n TYR 22 Cb 0.31 -0.30 0.38 0.00 -0.63 0.00 0.00 39.34 39.10 3abm n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3abm h PRO 23 N 4.16 0.15 -3.56 2.98 0.13 -1.72 -3.36 132.00 130.78 3abm h PRO 23 Ca 0.09 -0.04 -0.70 0.00 -0.87 0.00 0.00 66.00 64.48 3abm h PRO 23 Cb 0.87 -0.02 -0.35 0.00 0.13 0.00 0.00 31.00 31.64 3abm h PRO 23 CO 0.47 0.37 -0.34 -0.51 -0.23 0.00 0.00 178.00 177.75 3abm s LEU 24 N -8.56 5.28 0.94 1.56 1.43 -1.26 -4.95 118.68 113.11 3abm s LEU 24 Ca -0.04 -2.89 -0.12 0.00 -1.03 0.00 0.00 54.13 50.05 3abm s LEU 24 Cb 0.15 -1.86 0.15 0.00 0.03 0.00 0.00 46.19 44.66 3abm s LEU 24 CO 0.73 -0.36 1.09 -2.84 0.23 0.00 0.00 176.35 175.20 3abm s PRO 25 N -0.12 0.94 0.49 1.29 0.02 -1.26 -4.95 135.00 131.42 3abm s PRO 25 Ca 0.17 0.73 0.21 0.00 0.02 0.00 0.00 61.00 62.14 3abm s PRO 25 Cb -0.20 -1.78 1.27 0.00 0.02 0.00 0.00 34.50 33.82 3abm s PRO 25 CO -0.04 -2.44 2.06 -0.44 -0.33 0.00 0.00 177.00 175.81 3abm h ASP 26 N -1.69 0.00 -3.99 2.53 3.32 -1.94 -3.44 116.42 111.21 3abm h ASP 26 Ca -0.51 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.17 3abm h ASP 26 Cb 1.30 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.68 3abm h ASP 26 CO 0.55 0.13 -0.74 0.68 -1.72 0.00 0.00 179.24 178.15 3abm s VAL 27 N -4.47 1.25 0.55 -1.35 -7.23 -1.26 -5.01 120.40 102.88 3abm s VAL 27 Ca -0.04 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 3abm s VAL 27 Cb 0.15 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 3abm s VAL 27 CO 0.64 -0.57 1.10 0.00 -0.31 0.00 0.00 175.10 175.95 3abm s ALA 28 N -2.69 2.71 0.21 1.32 0.00 -1.26 -4.72 121.76 117.34 3abm s ALA 28 Ca 0.12 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 3abm s ALA 28 Cb -0.02 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 19.97 3abm s ALA 28 CO 0.02 -0.74 1.62 1.25 0.00 0.00 0.00 175.76 177.91 3abm h HIS 29 N 1.06 0.84 -3.49 0.00 2.76 -1.08 -3.37 115.15 111.88 3abm h HIS 29 Ca -0.49 -0.20 -0.72 0.00 -2.20 0.00 0.00 60.37 56.76 3abm h HIS 29 Cb 1.25 -0.20 -0.25 0.00 1.55 0.00 0.00 27.41 29.76 3abm h HIS 29 CO 0.54 0.92 -0.46 0.08 -1.30 0.00 0.00 177.93 177.70 3abm s VAL 30 N -4.52 4.66 -0.01 5.26 1.01 0.40 -2.79 120.40 124.42 3abm s VAL 30 Ca -0.09 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 60.97 3abm s VAL 30 Cb 0.13 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.61 3abm s VAL 30 CO 0.83 -0.38 0.95 0.07 0.00 0.00 0.00 175.10 176.57 3abm h LYS 31 N 8.50 0.00 -4.68 2.72 2.10 -1.88 -3.45 116.57 119.89 3abm h LYS 31 Ca -0.25 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.71 3abm h LYS 31 Cb 1.10 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.21 3abm h LYS 31 CO 0.74 0.64 -0.51 -0.80 -2.00 0.00 0.00 179.45 177.52 3abm s ASN 32 N -6.29 5.79 -0.09 7.07 -0.87 -1.26 -5.07 114.94 114.22 3abm s ASN 32 Ca -0.02 -0.66 -0.18 0.00 -1.57 0.00 0.00 52.86 50.43 3abm s ASN 32 Cb 0.09 -2.06 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 3abm s ASN 32 CO 0.82 -0.28 0.49 -0.76 -2.57 0.00 0.00 177.10 174.79 3abm s LEU 33 N 1.63 4.31 1.03 0.60 1.43 -1.26 -5.08 118.68 121.34 3abm s LEU 33 Ca 0.04 0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 53.83 3abm s LEU 33 Cb -0.18 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 3abm s LEU 33 CO 0.08 0.04 -0.33 -1.54 0.23 0.00 0.00 176.35 174.83 3abm n SER 34 N 3.41 -3.02 0.19 2.29 3.41 -1.26 -4.75 113.62 113.90 3abm n SER 34 Ca -0.07 0.07 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3abm n SER 34 Cb 0.52 -0.90 0.36 0.00 -0.26 0.00 0.00 64.21 63.93 3abm n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abm h ALA 35 N -1.55 1.03 0.18 7.33 0.00 -1.98 -0.86 119.26 123.41 3abm h ALA 35 Ca -0.47 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 53.82 3abm h ALA 35 Cb 1.34 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3abm h ALA 35 CO 0.31 0.44 -1.46 0.66 0.00 0.00 0.00 179.25 179.20 3abm h SER 36 N 0.00 0.58 -0.44 0.00 4.64 -1.98 -3.00 113.55 113.36 3abm h SER 36 Ca -0.00 -0.91 0.09 0.00 -0.47 0.00 0.00 61.79 60.49 3abm h SER 36 Cb 0.85 -0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 62.65 3abm h SER 36 CO 0.05 1.67 -0.26 1.56 -0.87 0.00 0.00 176.83 178.97 3abm h GLN 37 N -0.07 -0.17 -0.10 4.77 4.20 -1.90 0.61 115.11 122.45 3abm h GLN 37 Ca -0.29 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.47 3abm h GLN 37 Cb 1.95 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.77 3abm h GLN 37 CO 0.16 -0.11 0.12 0.87 -0.67 0.00 0.00 178.83 179.20 3abm h LYS 38 N -0.18 0.00 0.00 1.46 1.57 -1.23 -1.55 116.57 116.65 3abm h LYS 38 Ca 0.20 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.67 3abm h LYS 38 Cb 0.50 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 3abm h LYS 38 CO -0.54 0.00 -1.85 0.00 -0.57 0.00 0.00 179.45 176.49 3abm n ALA 39 N -2.30 1.48 -0.14 3.86 0.00 0.63 -3.03 120.51 121.02 3abm n ALA 39 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 3abm n ALA 39 Cb 0.22 -0.72 0.20 0.00 0.00 0.00 0.00 19.45 19.15 3abm n ALA 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3abm h LEU 40 N 0.00 0.78 -1.14 0.00 5.85 0.78 0.74 115.31 122.31 3abm h LEU 40 Ca -0.34 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3abm h LEU 40 Cb 2.06 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3abm h LEU 40 CO 0.07 0.74 0.00 0.11 -0.34 0.00 0.00 178.44 179.02 3abm h LYS 41 N 0.82 0.00 0.19 1.25 1.79 -1.36 -0.87 116.57 118.39 3abm h LYS 41 Ca 0.19 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.40 3abm h LYS 41 Cb 0.24 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3abm h LYS 41 CO -0.01 0.00 -1.13 0.93 -1.08 0.00 0.00 179.45 178.17 3abm h GLU 42 N 0.00 0.40 -0.61 3.15 4.39 -1.19 -3.28 114.58 117.45 3abm h GLU 42 Ca 0.00 -0.69 0.03 0.00 0.34 0.00 0.00 59.36 59.04 3abm h GLU 42 Cb 0.50 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 3abm h GLU 42 CO 0.00 1.33 0.37 -0.22 -1.16 0.00 0.00 179.01 179.33 3abm h LYS 43 N -0.15 0.72 -0.25 2.33 3.64 -0.54 -2.25 116.57 120.08 3abm h LYS 43 Ca -0.20 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 3abm h LYS 43 Cb 1.88 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 3abm h LYS 43 CO 0.20 0.48 0.75 1.49 -2.27 0.00 0.00 179.45 180.10 3abm h GLU 44 N 0.74 0.00 -0.00 1.90 4.81 -1.22 0.83 114.58 121.64 3abm h GLU 44 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3abm h GLU 44 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3abm h GLU 44 CO -0.10 0.00 -0.16 1.63 -0.73 0.00 0.00 179.01 179.65 3abm n LYS 45 N -2.93 0.09 -2.94 1.92 5.02 -0.84 -4.79 118.16 113.68 3abm n LYS 45 Ca 0.05 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 3abm n LYS 45 Cb 0.85 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 34.43 3abm n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3abm n ALA 46 N -1.44 1.13 -1.72 7.82 0.00 0.29 -5.04 120.51 121.55 3abm n ALA 46 Ca 0.08 -2.10 -0.43 0.00 0.00 0.00 0.00 53.44 50.99 3abm n ALA 46 Cb 0.33 0.55 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 3abm n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3abm n SER 47 N -2.39 3.61 0.23 0.00 2.88 -1.26 -4.84 113.62 111.86 3abm n SER 47 Ca 0.17 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.97 3abm n SER 47 Cb 0.60 -1.54 0.47 0.00 -0.75 0.00 0.00 64.21 62.99 3abm n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3abm h TRP 48 N 5.31 0.00 0.00 0.66 6.55 -1.91 -1.95 115.95 124.61 3abm h TRP 48 Ca -0.45 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.38 3abm h TRP 48 Cb 1.23 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.53 3abm h TRP 48 CO 0.60 0.00 -0.01 0.77 -1.05 0.00 0.00 178.44 178.75 3abm h SER 49 N 0.00 0.00 0.66 -3.49 0.02 -2.01 -1.13 113.55 107.59 3abm h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3abm h SER 49 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3abm h SER 49 CO 0.00 0.01 -0.12 -1.20 -1.14 0.00 0.00 176.83 174.37 3abm n SER 50 N -3.37 0.22 -4.81 3.07 7.64 -0.73 -4.83 113.62 110.82 3abm n SER 50 Ca -0.03 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.45 3abm n SER 50 Cb 0.09 -0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 3abm n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3abm s LEU 51 N -2.78 4.24 0.34 -3.43 1.02 -0.43 -5.06 118.68 112.58 3abm s LEU 51 Ca 0.20 1.57 -0.11 0.00 0.02 0.00 0.00 54.13 55.81 3abm s LEU 51 Cb 0.19 -3.94 -0.07 0.00 0.02 0.00 0.00 46.19 42.39 3abm s LEU 51 CO 0.53 -0.09 0.70 -0.94 0.02 0.00 0.00 176.35 176.57 3abm s SER 52 N -1.81 6.60 0.30 2.29 1.04 -1.26 -4.89 113.70 115.95 3abm s SER 52 Ca 0.50 1.09 0.00 0.00 0.48 0.00 0.00 55.95 58.02 3abm s SER 52 Cb -0.15 -2.30 0.69 0.00 0.10 0.00 0.00 66.02 64.36 3abm s SER 52 CO 0.20 -0.28 1.59 0.40 0.98 0.00 0.00 173.24 176.13 3abm h ILE 53 N 1.49 0.10 -0.98 -1.02 1.08 -1.97 0.62 117.51 116.83 3abm h ILE 53 Ca -0.47 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 3abm h ILE 53 Cb 1.18 0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 3abm h ILE 53 CO 0.65 0.01 0.64 0.44 -0.69 0.00 0.00 178.15 179.20 3abm h ASP 54 N 0.04 1.07 -0.17 1.72 3.45 -1.99 -1.05 116.42 119.49 3abm h ASP 54 Ca 0.56 -0.01 -0.22 0.00 0.43 0.00 0.00 57.03 57.79 3abm h ASP 54 Cb 1.13 -0.25 0.01 0.00 -0.56 0.00 0.00 39.33 39.66 3abm h ASP 54 CO -0.86 0.74 -0.76 -0.33 -1.57 0.00 0.00 179.24 176.46 3abm h GLU 55 N 1.25 0.81 -0.18 3.56 5.08 -0.34 -1.76 114.58 123.01 3abm h GLU 55 Ca 0.38 -0.65 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3abm h GLU 55 Cb -0.03 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3abm h GLU 55 CO -0.12 1.26 -0.28 0.87 -1.00 0.00 0.00 179.01 179.74 3abm h LYS 56 N 0.56 -0.31 -0.79 2.33 1.57 -0.16 0.41 116.57 120.18 3abm h LYS 56 Ca -0.05 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3abm h LYS 56 Cb 1.39 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.73 3abm h LYS 56 CO 0.16 -0.21 0.52 0.28 -0.57 0.00 0.00 179.45 179.63 3abm h VAL 57 N -0.32 1.15 -0.44 0.50 2.07 -1.18 -2.27 116.25 115.75 3abm h VAL 57 Ca 0.11 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 3abm h VAL 57 Cb 0.50 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3abm h VAL 57 CO -0.36 0.18 -0.25 -0.08 0.02 0.00 0.00 177.57 177.08 3abm h GLU 58 N 1.00 0.92 -0.73 1.57 4.81 -0.55 -1.09 114.58 120.51 3abm h GLU 58 Ca 0.31 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3abm h GLU 58 Cb -0.00 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3abm h GLU 58 CO -0.08 1.06 0.47 -0.07 -0.73 0.00 0.00 179.01 179.66 3abm h LEU 59 N 0.79 0.84 -0.23 1.64 3.38 -0.48 -1.52 115.31 119.73 3abm h LEU 59 Ca 0.10 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3abm h LEU 59 Cb 0.81 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3abm h LEU 59 CO 0.07 0.62 -0.46 0.22 0.09 0.00 0.00 178.44 178.98 3abm h TYR 60 N 0.99 0.91 0.00 1.13 3.20 -1.04 -2.76 116.97 119.41 3abm h TYR 60 Ca 0.27 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3abm h TYR 60 Cb -0.09 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.01 3abm h TYR 60 CO 0.00 1.12 0.00 0.00 -1.64 0.00 0.00 178.16 177.64 3abm h ARG 61 N 0.44 0.00 -0.63 1.82 2.47 -0.90 0.21 114.38 117.79 3abm h ARG 61 Ca 0.01 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 3abm h ARG 61 Cb 1.07 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 3abm h ARG 61 CO 0.10 0.00 0.05 -0.07 0.56 0.00 0.00 179.97 180.61 3abm h LEU 62 N 0.00 1.05 0.01 3.04 3.38 -1.08 -3.34 115.31 118.37 3abm h LEU 62 Ca 0.00 -0.28 -0.32 0.00 0.09 0.00 0.00 57.88 57.37 3abm h LEU 62 Cb 0.54 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3abm h LEU 62 CO 0.00 1.07 -1.96 1.17 0.09 0.00 0.00 178.44 178.81 3abm n LYS 63 N -4.19 0.66 -4.61 1.13 3.00 -0.63 -0.45 118.16 113.07 3abm n LYS 63 Ca 0.04 0.19 -0.26 0.00 -0.00 0.00 0.00 58.31 58.28 3abm n LYS 63 Cb 0.32 -1.70 -0.14 0.00 0.00 0.00 0.00 35.03 33.52 3abm n LYS 63 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3abm s PHE 64 N -2.56 1.88 0.00 5.64 0.40 0.64 -1.37 117.98 122.60 3abm s PHE 64 Ca -0.08 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3abm s PHE 64 Cb 0.07 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.50 3abm s PHE 64 CO 0.82 0.12 0.17 1.17 0.70 0.00 0.00 175.22 178.20 3abm n LYS 65 N 1.69 0.00 -3.88 0.44 4.81 -1.26 -4.32 118.16 115.64 3abm n LYS 65 Ca -0.18 0.12 -0.25 0.00 -0.87 0.00 0.00 58.31 57.13 3abm n LYS 65 Cb 0.53 -0.76 -0.03 0.00 0.02 0.00 0.00 35.03 34.80 3abm n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3abm s GLU 66 N -0.58 3.46 0.80 1.64 2.02 -1.26 -4.92 118.70 119.86 3abm s GLU 66 Ca 0.00 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.31 3abm s GLU 66 Cb 0.00 -2.90 0.11 0.00 0.10 0.00 0.00 34.13 31.43 3abm s GLU 66 CO 0.00 0.45 1.13 -1.54 0.02 0.00 0.00 175.26 175.32 3abm s SER 67 N -3.48 4.25 0.08 -0.19 1.04 -1.26 -4.83 113.70 109.30 3abm s SER 67 Ca 0.35 0.39 -0.20 0.00 0.48 0.00 0.00 55.95 56.97 3abm s SER 67 Cb -0.10 -0.81 -0.10 0.00 0.10 0.00 0.00 66.02 65.10 3abm s SER 67 CO 0.29 -1.99 1.53 -0.26 0.98 0.00 0.00 173.24 173.79 3abm h PHE 68 N -0.97 0.37 -0.51 5.02 -1.00 -2.00 0.37 116.94 118.22 3abm h PHE 68 Ca -0.44 -0.06 0.10 0.00 2.81 0.00 0.00 57.97 60.38 3abm h PHE 68 Cb 1.29 -0.10 -0.08 0.00 3.61 0.00 0.00 35.95 40.67 3abm h PHE 68 CO -0.12 0.51 0.01 0.00 -1.61 0.00 0.00 178.31 177.10 3abm h ALA 69 N 0.81 0.49 0.47 2.45 0.00 -1.96 -1.26 119.26 120.26 3abm h ALA 69 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3abm h ALA 69 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3abm h ALA 69 CO 0.01 -0.38 -0.37 0.93 0.00 0.00 0.00 179.25 179.44 3abm h GLU 70 N 0.12 -0.79 0.00 0.00 5.08 -1.89 -2.99 114.58 114.11 3abm h GLU 70 Ca 0.26 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3abm h GLU 70 Cb 0.39 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3abm h GLU 70 CO -0.42 -0.53 -0.02 0.00 -1.00 0.00 0.00 179.01 177.04 3abm h MET 71 N -0.82 0.00 -0.17 2.33 -0.00 -0.74 -1.77 114.93 113.75 3abm h MET 71 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 3abm h MET 71 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 3abm h MET 71 CO -0.00 0.02 0.00 0.09 -0.00 0.00 0.00 176.91 177.02 3abm n ASN 72 N -3.21 2.13 -4.79 -0.10 3.02 -0.49 -4.97 115.26 106.85 3abm n ASN 72 Ca -0.02 -1.76 -0.33 0.00 -0.03 0.00 0.00 54.58 52.44 3abm n ASN 72 Cb 0.17 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 3abm n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abm s ARG 73 N -1.78 3.27 0.45 3.52 1.70 -0.67 -5.04 118.95 120.40 3abm s ARG 73 Ca 0.34 1.34 0.08 0.00 -0.47 0.00 0.00 55.73 57.01 3abm s ARG 73 Cb 0.19 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.56 3abm s ARG 73 CO 0.29 -0.87 0.44 -1.54 -1.08 0.00 0.00 175.30 172.54 3abm s SER 74 N -2.46 5.05 0.27 -2.89 1.04 -1.26 -5.11 113.70 108.34 3abm s SER 74 Ca 0.66 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 56.31 3abm s SER 74 Cb -0.18 -0.34 -0.05 0.00 0.10 0.00 0.00 66.02 65.55 3abm s SER 74 CO 0.34 -0.80 0.10 0.42 0.98 0.00 0.00 173.24 174.28 3abm s THR 75 N -2.53 0.58 -2.01 2.02 -4.23 -1.26 -5.03 115.64 103.18 3abm s THR 75 Ca 0.48 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.10 3abm s THR 75 Cb -0.04 -2.63 0.32 0.00 1.34 0.00 0.00 72.50 71.49 3abm s THR 75 CO 0.28 0.00 1.27 0.59 -0.54 0.00 0.00 174.62 176.23 3abm n ASN 76 N -0.54 1.88 -0.33 3.99 3.02 -1.26 -4.42 115.26 117.60 3abm n ASN 76 Ca -0.00 -1.99 0.28 0.00 -0.03 0.00 0.00 54.58 52.84 3abm n ASN 76 Cb 0.66 -0.23 0.59 0.00 -0.61 0.00 0.00 39.78 40.19 3abm n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3abm h GLU 77 N 2.07 0.24 -0.01 3.52 4.81 -2.01 -0.39 114.58 122.82 3abm h GLU 77 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3abm h GLU 77 Cb 0.47 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3abm h GLU 77 CO 0.00 0.16 -0.05 0.11 -0.73 0.00 0.00 179.01 178.50 3abm h TRP 78 N 0.25 0.01 -0.23 0.92 5.08 -2.00 -0.75 115.95 119.24 3abm h TRP 78 Ca 0.60 -0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.50 3abm h TRP 78 Cb 1.82 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.97 3abm h TRP 78 CO -0.00 0.06 -0.16 0.87 -1.28 0.00 0.00 178.44 177.93 3abm h LYS 79 N 0.01 0.51 -0.09 0.12 1.57 -1.42 0.51 116.57 117.78 3abm h LYS 79 Ca 0.00 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3abm h LYS 79 Cb 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3abm h LYS 79 CO 0.01 0.81 0.02 1.15 -0.57 0.00 0.00 179.45 180.87 3abm h THR 80 N 0.21 1.19 0.12 -0.16 2.02 -1.40 0.11 112.91 115.00 3abm h THR 80 Ca 0.04 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.65 3abm h THR 80 Cb 0.69 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3abm h THR 80 CO 0.04 0.17 -0.16 0.58 0.37 0.00 0.00 175.52 176.52 3abm h VAL 81 N -0.06 0.64 -0.25 3.16 2.07 -1.05 0.25 116.25 121.01 3abm h VAL 81 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3abm h VAL 81 Cb 0.24 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3abm h VAL 81 CO 0.00 0.00 0.00 0.58 0.02 0.00 0.00 177.57 178.17 3abm h VAL 82 N -0.33 1.26 -0.26 2.57 2.07 -0.90 -1.47 116.25 119.18 3abm h VAL 82 Ca 0.01 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3abm h VAL 82 Cb 0.33 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3abm h VAL 82 CO -0.07 0.28 -0.02 1.23 0.02 0.00 0.00 177.57 179.01 3abm h GLY 83 N 0.22 0.23 0.91 2.17 0.00 -0.69 -1.42 103.07 104.50 3abm h GLY 83 Ca 0.07 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3abm h GLY 83 CO 0.01 -0.07 0.52 0.00 0.00 0.00 0.00 176.54 177.00 3abm h ALA 84 N 1.24 1.04 -0.88 3.60 0.00 -0.33 -1.15 119.26 122.78 3abm h ALA 84 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3abm h ALA 84 Cb 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3abm h ALA 84 CO -0.23 0.36 0.46 0.00 0.00 0.00 0.00 179.25 179.84 3abm h ALA 85 N 1.32 1.16 -0.16 0.00 0.00 -1.05 0.17 119.26 120.70 3abm h ALA 85 Ca 0.31 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3abm h ALA 85 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3abm h ALA 85 CO -0.10 0.66 -0.37 0.52 0.00 0.00 0.00 179.25 179.97 3abm h MET 86 N 1.24 0.33 -0.31 0.00 2.07 -0.94 -0.49 114.93 116.83 3abm h MET 86 Ca 0.31 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.78 3abm h MET 86 Cb 0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 3abm h MET 86 CO -0.05 0.66 0.17 0.35 1.07 0.00 0.00 176.91 179.12 3abm h PHE 87 N 0.28 0.42 -0.16 -0.22 3.57 -0.06 0.23 116.94 121.01 3abm h PHE 87 Ca 0.03 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3abm h PHE 87 Cb 0.78 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3abm h PHE 87 CO 0.02 0.34 -0.50 0.74 -2.23 0.00 0.00 178.31 176.67 3abm h PHE 88 N 0.39 0.53 -0.42 0.41 -1.00 -0.23 0.02 116.94 116.63 3abm h PHE 88 Ca 0.11 -0.17 -0.08 0.00 2.81 0.00 0.00 57.97 60.64 3abm h PHE 88 Cb 0.05 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3abm h PHE 88 CO -0.03 0.85 -0.07 0.82 -1.61 0.00 0.00 178.31 178.26 3abm h ILE 89 N 0.34 1.25 -0.27 -0.55 2.04 -0.96 -0.98 117.51 118.38 3abm h ILE 89 Ca 0.01 -1.07 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 3abm h ILE 89 Cb 1.00 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3abm h ILE 89 CO 0.09 0.37 -0.34 1.23 0.00 0.00 0.00 178.15 179.50 3abm h GLY 90 N 0.97 0.64 1.60 5.37 0.00 0.11 -2.86 103.07 108.89 3abm h GLY 90 Ca 0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3abm h GLY 90 CO 0.03 0.54 0.04 -2.75 0.00 0.00 0.00 176.54 174.40 3abm h PHE 91 N 0.49 0.51 -0.90 5.60 3.57 -0.50 -1.50 116.94 124.22 3abm h PHE 91 Ca 0.05 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3abm h PHE 91 Cb 0.83 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 3abm h PHE 91 CO 0.03 0.48 0.57 1.15 -2.23 0.00 0.00 178.31 178.31 3abm h THR 92 N 0.49 1.07 0.00 4.41 2.02 -0.97 -1.48 112.91 118.45 3abm h THR 92 Ca 0.11 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3abm h THR 92 Cb 0.26 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3abm h THR 92 CO 0.00 0.19 -0.01 0.00 0.37 0.00 0.00 175.52 176.07 3abm h ALA 93 N 1.41 1.19 -0.16 6.16 0.00 -1.12 0.17 119.26 126.91 3abm h ALA 93 Ca 0.39 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 3abm h ALA 93 Cb 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3abm h ALA 93 CO -0.17 0.02 -0.58 -0.07 0.00 0.00 0.00 179.25 178.45 3abm h LEU 94 N 0.00 0.57 -0.68 0.00 3.38 -1.21 -0.80 115.31 116.57 3abm h LEU 94 Ca -0.00 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 3abm h LEU 94 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3abm h LEU 94 CO 0.00 1.02 -0.39 -0.07 0.09 0.00 0.00 178.44 179.09 3abm h LEU 95 N 0.39 0.60 -0.31 1.67 3.38 -0.63 0.14 115.31 120.54 3abm h LEU 95 Ca 0.00 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 3abm h LEU 95 Cb 1.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3abm h LEU 95 CO 0.11 0.93 -0.17 -0.07 0.09 0.00 0.00 178.44 179.32 3abm h LEU 96 N 0.47 0.70 -0.15 1.67 3.38 -1.35 0.31 115.31 120.33 3abm h LEU 96 Ca 0.04 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.64 3abm h LEU 96 Cb 0.89 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3abm h LEU 96 CO 0.08 0.96 -0.18 0.40 0.09 0.00 0.00 178.44 179.79 3abm h ILE 97 N 0.43 0.53 -0.89 1.22 2.04 -0.88 -1.63 117.51 118.33 3abm h ILE 97 Ca 0.07 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.08 3abm h ILE 97 Cb 0.71 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 3abm h ILE 97 CO 0.05 0.00 0.49 -0.25 0.00 0.00 0.00 178.15 178.44 3abm h TRP 98 N -0.21 0.87 -0.25 1.37 7.01 -0.53 -1.45 115.95 122.75 3abm h TRP 98 Ca 0.11 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.02 3abm h TRP 98 Cb 0.37 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3abm h TRP 98 CO -0.30 0.23 -0.30 1.49 -2.79 0.00 0.00 178.44 176.77 3abm h GLU 99 N 0.69 0.65 -0.56 2.65 4.81 -0.47 -0.64 114.58 121.71 3abm h GLU 99 Ca 0.49 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3abm h GLU 99 Cb 0.67 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3abm h GLU 99 CO -0.35 0.97 0.16 -0.22 -0.73 0.00 0.00 179.01 178.84 3abm h LYS 100 N 0.37 0.89 -0.16 1.92 1.63 -1.02 0.26 116.57 120.46 3abm h LYS 100 Ca 0.03 -0.20 -0.18 0.00 -0.85 0.00 0.00 60.65 59.45 3abm h LYS 100 Cb 0.87 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3abm h LYS 100 CO 0.07 0.82 -0.63 1.25 -3.45 0.00 0.00 179.45 177.51 3abm h HIS 101 N 0.80 0.75 0.00 1.91 2.76 -1.10 -3.32 115.15 116.95 3abm h HIS 101 Ca 0.18 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3abm h HIS 101 Cb 0.31 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3abm h HIS 101 CO 0.02 1.06 -0.54 0.66 -1.30 0.00 0.00 177.93 177.83 3abm n TYR 102 N -3.93 0.00 -0.03 5.26 4.01 -0.26 -4.80 117.16 117.41 3abm n TYR 102 Ca -0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.64 3abm n TYR 102 Cb 0.65 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 3abm n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3abm n VAL 103 N -1.29 0.34 -2.72 -0.72 0.31 0.84 -5.01 118.33 110.08 3abm n VAL 103 Ca 0.01 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 3abm n VAL 103 Cb 0.13 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 3abm n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3abm s TYR 104 N -2.11 3.51 0.00 3.52 4.12 -0.82 -5.04 117.35 120.52 3abm s TYR 104 Ca -0.09 1.55 0.00 0.00 0.02 0.00 0.00 57.07 58.55 3abm s TYR 104 Cb 0.03 -3.15 0.00 0.00 -1.52 0.00 0.00 41.96 37.32 3abm s TYR 104 CO 0.11 -0.21 0.00 0.41 0.02 0.00 0.00 175.55 175.89 3abm n GLY 105 N 3.13 -1.01 3.84 0.71 0.00 -1.26 -4.81 105.19 105.79 3abm n GLY 105 Ca 0.08 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 3abm n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3abm s PRO 106 N -0.94 4.01 0.79 1.61 0.04 -1.26 -5.02 135.00 134.22 3abm s PRO 106 Ca 0.00 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 3abm s PRO 106 Cb 0.00 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.39 3abm s PRO 106 CO 0.00 -0.13 1.09 0.96 0.04 0.00 0.00 177.00 178.96 3abm s ILE 107 N -2.40 3.23 0.32 0.56 -4.36 -1.26 -4.96 121.20 112.33 3abm s ILE 107 Ca 0.58 0.40 -0.27 0.00 -0.26 0.00 0.00 60.65 61.10 3abm s ILE 107 Cb -0.10 -3.11 -0.13 0.00 1.25 0.00 0.00 42.46 40.37 3abm s ILE 107 CO 0.25 -0.52 0.93 -2.65 0.24 0.00 0.00 174.94 173.18 3abm n PRO 108 N -3.42 1.19 0.14 0.37 -0.02 -1.26 -4.79 135.00 127.21 3abm n PRO 108 Ca 0.07 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3abm n PRO 108 Cb 0.55 -1.79 0.39 0.00 -0.02 0.00 0.00 33.50 32.64 3abm n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3abm n HIS 109 N -0.04 0.49 1.10 6.00 1.44 -1.26 -1.33 115.22 121.62 3abm n HIS 109 Ca 0.10 0.26 0.12 0.00 -2.01 0.00 0.00 57.72 56.18 3abm n HIS 109 Cb 0.34 -0.80 0.59 0.00 0.12 0.00 0.00 29.99 30.24 3abm n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3abm n THR 110 N -2.03 0.25 1.04 0.61 -2.24 -1.26 -2.18 114.28 108.46 3abm n THR 110 Ca -0.01 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 3abm n THR 110 Cb 0.18 -0.67 0.08 0.00 -2.10 0.00 0.00 70.33 67.83 3abm n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3abm n PHE 111 N -1.30 0.00 -1.59 4.78 3.01 -0.45 -4.18 117.46 117.73 3abm n PHE 111 Ca 0.11 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.12 3abm n PHE 111 Cb 0.20 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 3abm n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3abm n GLU 112 N -1.13 1.36 -0.34 -1.08 1.02 -0.93 -4.74 120.64 114.80 3abm n GLU 112 Ca 0.07 0.48 0.17 0.00 -0.02 0.00 0.00 57.16 57.85 3abm n GLU 112 Cb 0.36 -1.88 0.39 0.00 -0.02 0.00 0.00 31.44 30.28 3abm n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3abm h GLU 113 N 2.29 0.60 -0.07 3.49 4.81 -1.92 -1.30 114.58 122.48 3abm h GLU 113 Ca -0.40 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.62 3abm h GLU 113 Cb 1.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3abm h GLU 113 CO 0.63 0.40 -0.70 1.49 -0.73 0.00 0.00 179.01 180.10 3abm h GLU 114 N 0.62 0.34 -0.08 1.92 4.81 -1.96 -2.44 114.58 117.79 3abm h GLU 114 Ca 0.60 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3abm h GLU 114 Cb 1.14 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 3abm h GLU 114 CO -0.39 0.90 0.04 2.35 -0.73 0.00 0.00 179.01 181.18 3abm h TRP 115 N 0.23 0.11 -0.73 0.92 2.91 -1.58 -2.70 115.95 115.11 3abm h TRP 115 Ca -0.02 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.09 3abm h TRP 115 Cb 1.25 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.80 3abm h TRP 115 CO 0.04 0.17 0.37 0.28 -1.03 0.00 0.00 178.44 178.27 3abm h VAL 116 N 0.01 0.85 -0.83 2.65 2.07 -1.37 0.23 116.25 119.86 3abm h VAL 116 Ca 0.03 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3abm h VAL 116 Cb 0.10 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 3abm h VAL 116 CO -0.00 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.22 3abm h ALA 117 N 1.44 1.06 -0.16 1.67 0.00 -1.28 0.22 119.26 122.22 3abm h ALA 117 Ca 0.36 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3abm h ALA 117 Cb 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3abm h ALA 117 CO -0.27 0.50 -0.43 0.87 0.00 0.00 0.00 179.25 179.91 3abm h LYS 118 N 1.14 0.57 -0.75 0.00 1.57 -1.12 -2.24 116.57 115.74 3abm h LYS 118 Ca 0.30 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3abm h LYS 118 Cb -0.08 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3abm h LYS 118 CO -0.06 1.02 0.34 0.37 -0.57 0.00 0.00 179.45 180.56 3abm h GLN 119 N 0.21 1.09 -0.07 3.15 4.15 -0.48 -1.52 115.11 121.64 3abm h GLN 119 Ca -0.01 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.27 3abm h GLN 119 Cb 1.05 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 3abm h GLN 119 CO 0.09 0.86 -0.17 1.15 -1.93 0.00 0.00 178.83 178.84 3abm h THR 120 N 1.06 0.58 0.07 2.39 2.02 -0.51 0.12 112.91 118.63 3abm h THR 120 Ca 0.25 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 3abm h THR 120 Cb 0.14 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3abm h THR 120 CO -0.03 0.00 -0.12 0.50 0.37 0.00 0.00 175.52 176.24 3abm h LYS 121 N -0.24 -0.23 -0.91 6.66 3.64 -1.21 -0.21 116.57 124.07 3abm h LYS 121 Ca 0.08 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.59 3abm h LYS 121 Cb 0.35 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 3abm h LYS 121 CO -0.21 -0.15 0.54 -0.09 -2.27 0.00 0.00 179.45 177.26 3abm h ARG 122 N -0.24 0.82 -0.98 1.90 2.43 -1.12 0.67 114.38 117.86 3abm h ARG 122 Ca 0.02 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3abm h ARG 122 Cb 0.26 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3abm h ARG 122 CO -0.07 0.54 0.64 0.52 -1.51 0.00 0.00 179.97 180.09 3abm h MET 123 N 0.85 1.30 -0.11 0.20 2.86 0.22 -1.32 114.93 118.93 3abm h MET 123 Ca 0.46 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.87 3abm h MET 123 Cb 0.49 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3abm h MET 123 CO -0.28 0.87 -0.54 -0.07 1.06 0.00 0.00 176.91 177.96 3abm h LEU 124 N 1.34 0.34 -0.88 1.22 3.38 0.12 0.37 115.31 121.20 3abm h LEU 124 Ca 0.36 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3abm h LEU 124 Cb -0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3abm h LEU 124 CO -0.08 0.82 -0.09 0.44 0.09 0.00 0.00 178.44 179.62 3abm h ASP 125 N 0.24 0.71 -0.02 -0.43 3.45 0.60 -1.61 116.42 119.38 3abm h ASP 125 Ca 0.00 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.27 3abm h ASP 125 Cb 1.02 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 3abm h ASP 125 CO 0.09 0.84 -0.00 1.15 -1.57 0.00 0.00 179.24 179.74 3abm n MET 126 N -4.18 1.78 -2.99 3.56 0.00 -0.54 -4.97 117.12 109.78 3abm n MET 126 Ca 0.01 -1.14 -0.12 0.00 0.00 0.00 0.00 57.70 56.46 3abm n MET 126 Cb 0.34 -1.48 0.06 0.00 0.00 0.00 0.00 33.22 32.15 3abm n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3abm n LYS 127 N 0.39 -4.57 -1.90 3.17 5.02 -0.03 -4.92 118.16 115.32 3abm n LYS 127 Ca 0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 56.63 3abm n LYS 127 Cb 0.40 -4.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.57 3abm n LYS 127 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3abm s VAL 128 N -3.25 2.50 -0.67 -0.18 1.01 -0.34 -3.57 120.40 115.90 3abm s VAL 128 Ca 0.01 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 3abm s VAL 128 Cb -0.01 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.16 3abm s VAL 128 CO 0.50 0.03 0.63 0.00 0.00 0.00 0.00 175.10 176.27 3abm n ALA 129 N 3.76 -2.62 0.11 5.51 0.00 -1.26 -0.96 120.51 125.05 3abm n ALA 129 Ca 0.13 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.67 3abm n ALA 129 Cb 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3abm n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3abm h PRO 130 N 0.74 0.00 0.14 0.00 0.13 -1.91 0.26 132.00 131.36 3abm h PRO 130 Ca -0.52 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.32 3abm h PRO 130 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3abm h PRO 130 CO 0.30 0.29 -1.47 0.82 -0.23 0.00 0.00 178.00 177.72 3abm h ILE 131 N 0.00 1.05 0.00 -3.56 5.03 -1.92 -3.16 117.51 114.95 3abm h ILE 131 Ca -0.05 -2.45 0.00 0.00 -0.12 0.00 0.00 64.86 62.24 3abm h ILE 131 Cb 1.34 2.78 0.00 0.00 -3.03 0.00 0.00 36.82 37.91 3abm h ILE 131 CO 0.04 0.75 -0.02 0.00 -0.68 0.00 0.00 178.15 178.24 3abm n GLN 132 N -3.84 0.04 0.11 2.37 6.02 -1.26 -4.80 117.38 116.02 3abm n GLN 132 Ca -0.24 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.57 3abm n GLN 132 Cb 0.95 -0.51 -0.15 0.00 1.02 0.00 0.00 30.24 31.56 3abm n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3abm h GLY 133 N 0.00 0.39 0.00 1.08 0.00 -1.86 -3.43 103.07 99.24 3abm h GLY 133 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.34 3abm h GLY 133 CO 0.00 0.87 0.00 0.33 0.00 0.00 0.00 176.54 177.74 3abm n PHE 134 N -3.56 -0.69 0.12 5.60 7.35 0.36 -4.90 117.46 121.75 3abm n PHE 134 Ca -0.13 0.03 -0.01 0.00 -0.76 0.00 0.00 57.45 56.58 3abm n PHE 134 Cb 1.05 0.53 0.26 0.00 0.35 0.00 0.00 39.48 41.68 3abm n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3abm h SER 135 N 0.00 0.16 -0.88 -2.13 0.02 0.12 -0.46 113.55 110.37 3abm h SER 135 Ca 0.00 -0.06 0.26 0.00 -0.84 0.00 0.00 61.79 61.14 3abm h SER 135 Cb 0.00 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3abm h SER 135 CO 0.00 0.56 0.90 0.00 -1.14 0.00 0.00 176.83 177.14 3abm h ALA 136 N 1.45 2.73 -0.02 3.77 0.00 -1.47 -0.56 119.26 125.16 3abm h ALA 136 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3abm h ALA 136 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3abm h ALA 136 CO 0.06 -1.35 -0.12 1.63 0.00 0.00 0.00 179.25 179.47 3abm n LYS 137 N -3.58 1.78 -3.92 0.00 5.02 -0.18 -4.88 118.16 112.40 3abm n LYS 137 Ca 0.19 -1.35 -0.36 0.00 -2.02 0.00 0.00 58.31 54.77 3abm n LYS 137 Cb 1.19 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.65 3abm n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3abm s TRP 138 N -2.15 3.47 -0.54 2.13 -0.11 -0.22 -0.31 118.94 121.22 3abm s TRP 138 Ca 0.28 0.40 -0.21 0.00 1.22 0.00 0.00 56.10 57.79 3abm s TRP 138 Cb 0.20 -1.98 0.05 0.00 -1.50 0.00 0.00 33.47 30.24 3abm s TRP 138 CO 0.39 0.56 0.76 0.34 -4.62 0.00 0.00 176.95 174.38 3abm s ASP 139 N -0.59 6.26 0.17 5.86 -1.08 0.72 -4.76 116.67 123.25 3abm s ASP 139 Ca 0.12 -0.74 0.23 0.00 -0.52 0.00 0.00 52.55 51.65 3abm s ASP 139 Cb -0.12 -2.35 0.90 0.00 -1.46 0.00 0.00 42.92 39.89 3abm s ASP 139 CO 0.02 -1.06 1.71 -1.22 0.52 0.00 0.00 175.17 175.15 3abm n TYR 140 N 6.74 0.61 -0.07 -5.34 4.01 -1.26 -0.09 117.16 121.75 3abm n TYR 140 Ca -0.03 0.21 -0.04 0.00 -0.16 0.00 0.00 57.90 57.87 3abm n TYR 140 Cb 0.46 -0.84 -0.02 0.00 -0.31 0.00 0.00 39.34 38.63 3abm n TYR 140 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3abm h ASP 141 N 0.00 0.00 0.80 7.72 3.45 -1.94 -3.37 116.42 123.08 3abm h ASP 141 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3abm h ASP 141 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3abm h ASP 141 CO 0.00 0.74 0.00 0.29 -1.57 0.00 0.00 179.24 178.70 3abm n LYS 142 N -4.63 0.06 -3.51 3.56 5.02 -1.23 -4.91 118.16 112.52 3abm n LYS 142 Ca -0.07 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.21 3abm n LYS 142 Cb 0.25 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3abm n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abm n ASN 143 N -1.72 -4.87 -3.98 4.39 4.05 0.87 -5.01 115.26 108.99 3abm n ASN 143 Ca 0.04 -0.55 -0.10 0.00 0.45 0.00 0.00 54.58 54.42 3abm n ASN 143 Cb 0.26 -4.96 -0.06 0.00 1.23 0.00 0.00 39.78 36.25 3abm n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3abm s GLU 144 N -5.96 1.50 0.27 1.20 -1.05 -1.11 -5.00 118.70 108.54 3abm s GLU 144 Ca 0.38 -1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 53.52 3abm s GLU 144 Cb -0.17 0.42 -0.10 0.00 -0.44 0.00 0.00 34.13 33.84 3abm s GLU 144 CO 0.71 -0.60 1.48 -1.58 0.95 0.00 0.00 175.26 176.23 3abm s TRP 145 N -3.97 2.92 0.35 4.83 0.52 -1.26 -0.20 118.94 122.13 3abm s TRP 145 Ca 0.27 0.97 -0.28 0.00 0.02 0.00 0.00 56.10 57.08 3abm s TRP 145 Cb 0.01 -3.90 -0.12 0.00 -1.15 0.00 0.00 33.47 28.31 3abm s TRP 145 CO 0.11 -2.93 1.36 1.63 0.02 0.00 0.00 176.95 177.13 3abm n LYS 146 N 2.13 2.31 0.00 4.98 5.02 0.57 -4.72 118.16 128.46 3abm n LYS 146 Ca 0.07 0.81 0.14 0.00 -2.02 0.00 0.00 58.31 57.31 3abm n LYS 146 Cb 0.39 -2.44 0.86 0.00 -0.02 0.00 0.00 35.03 33.82 3abm n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51