#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk s VAL 5 N 0.00 2.96 -0.09 2.46 1.01 -1.26 -5.00 120.40 120.48 3abk s VAL 5 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3abk s VAL 5 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3abk s VAL 5 CO 0.00 -0.01 0.47 -0.69 0.00 0.00 0.00 175.10 174.87 3abk s VAL 6 N 4.08 5.14 0.30 2.92 1.01 -1.26 -5.08 120.40 127.52 3abk s VAL 6 Ca 0.86 0.94 0.10 0.00 0.00 0.00 0.00 61.98 63.89 3abk s VAL 6 Cb -0.43 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3abk s VAL 6 CO 0.40 0.38 -0.08 -0.54 0.00 0.00 0.00 175.10 175.25 3abk s LYS 7 N 0.29 1.97 0.26 2.72 1.02 -1.26 -5.02 119.74 119.71 3abk s LYS 7 Ca 0.26 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.57 3abk s LYS 7 Cb -0.16 -1.91 0.34 0.00 -0.52 0.00 0.00 37.83 35.58 3abk s LYS 7 CO 0.11 0.27 1.69 0.77 -0.92 0.00 0.00 175.35 177.27 3abk h SER 8 N 2.02 0.57 0.66 2.83 0.02 -2.03 -1.73 113.55 115.88 3abk h SER 8 Ca -0.42 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 3abk h SER 8 Cb 1.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.64 3abk h SER 8 CO 0.63 0.81 0.00 -1.84 -1.14 0.00 0.00 176.83 175.29 3abk n GLU 9 N -4.11 0.18 -0.15 3.45 0.00 -1.26 -2.38 120.64 116.36 3abk n GLU 9 Ca -0.00 0.43 0.03 0.00 0.00 0.00 0.00 57.16 57.63 3abk n GLU 9 Cb 0.42 -1.86 0.11 0.00 0.00 0.00 0.00 31.44 30.11 3abk n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3abk n ASP 10 N -2.20 1.51 -0.02 -1.84 8.00 -0.65 -4.55 116.55 116.80 3abk n ASP 10 Ca 0.02 -2.06 0.07 0.00 0.71 0.00 0.00 54.79 53.53 3abk n ASP 10 Cb 0.21 -0.24 0.47 0.00 -0.02 0.00 0.00 41.12 41.54 3abk n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3abk h TYR 11 N 1.36 0.46 0.00 1.24 -0.00 -1.64 -2.06 116.97 116.33 3abk h TYR 11 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3abk h TYR 11 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 36.73 37.03 3abk h TYR 11 CO 0.20 0.26 0.00 0.00 -0.00 0.00 0.00 178.16 178.62 3abk n ALA 12 N -2.50 2.58 -2.83 0.10 0.00 -1.26 -4.86 120.51 111.74 3abk n ALA 12 Ca 0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 3abk n ALA 12 Cb 0.19 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 3abk n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3abk s LEU 13 N -1.97 4.00 0.34 0.00 1.43 -0.77 -5.06 118.68 116.65 3abk s LEU 13 Ca 0.42 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 3abk s LEU 13 Cb 0.19 -2.64 -0.12 0.00 0.03 0.00 0.00 46.19 43.65 3abk s LEU 13 CO 0.33 0.14 1.14 -2.65 0.23 0.00 0.00 176.35 175.53 3abk n PRO 14 N 0.14 1.71 -4.52 1.29 -0.02 -1.26 -5.00 135.00 127.33 3abk n PRO 14 Ca -0.07 0.60 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 3abk n PRO 14 Cb 0.52 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 3abk n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3abk s SER 15 N -0.48 2.81 0.22 2.55 1.04 -1.26 -4.91 113.70 113.66 3abk s SER 15 Ca 0.58 -1.49 -0.21 0.00 0.48 0.00 0.00 55.95 55.31 3abk s SER 15 Cb -0.61 0.13 -0.08 0.00 0.10 0.00 0.00 66.02 65.56 3abk s SER 15 CO 0.60 -0.72 0.75 -0.47 0.98 0.00 0.00 173.24 174.38 3abk s TYR 16 N -3.18 3.69 -0.09 5.02 5.04 -1.26 -4.08 117.35 122.49 3abk s TYR 16 Ca 0.29 1.45 -0.13 0.00 -2.44 0.00 0.00 57.07 56.25 3abk s TYR 16 Cb 0.06 -2.66 0.03 0.00 0.35 0.00 0.00 41.96 39.74 3abk s TYR 16 CO 0.14 0.36 0.33 0.14 -1.34 0.00 0.00 175.55 175.17 3abk s VAL 17 N -1.47 0.02 -0.45 3.14 -7.23 -1.26 -5.06 120.40 108.09 3abk s VAL 17 Ca 0.42 -0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 3abk s VAL 17 Cb -0.18 -0.52 0.05 0.00 0.56 0.00 0.00 36.38 36.30 3abk s VAL 17 CO 0.22 -0.08 0.37 -1.81 -0.31 0.00 0.00 175.10 173.48 3abk s ASP 18 N -0.30 6.14 -0.02 4.85 -0.00 -1.26 -4.62 116.67 121.45 3abk s ASP 18 Ca -0.04 -1.15 -0.00 0.00 -0.00 0.00 0.00 52.55 51.36 3abk s ASP 18 Cb -0.03 -2.18 0.03 0.00 -0.00 0.00 0.00 42.92 40.74 3abk s ASP 18 CO 0.02 -0.58 0.03 -0.13 -0.00 0.00 0.00 175.17 174.51 3abk s ARG 19 N 1.69 -0.04 0.55 8.23 0.52 -1.26 -5.04 118.95 123.60 3abk s ARG 19 Ca 0.05 0.20 0.25 0.00 -0.52 0.00 0.00 55.73 55.70 3abk s ARG 19 Cb -0.22 -0.25 1.56 0.00 0.52 0.00 0.00 34.95 36.56 3abk s ARG 19 CO 0.08 -0.17 2.18 0.00 0.02 0.00 0.00 175.30 177.41 3abk h ARG 20 N 7.31 0.00 -0.02 3.54 3.08 -1.97 -0.21 114.38 126.10 3abk h ARG 20 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3abk h ARG 20 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3abk h ARG 20 CO 0.48 0.04 -0.09 -0.40 -1.07 0.00 0.00 179.97 178.93 3abk n ASP 21 N -4.02 2.07 -3.15 7.04 5.75 -1.26 -4.28 116.55 118.70 3abk n ASP 21 Ca -0.03 -1.62 -0.22 0.00 -0.01 0.00 0.00 54.79 52.91 3abk n ASP 21 Cb 0.12 0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 3abk n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abk n TYR 22 N 0.49 1.49 0.28 2.11 9.36 -0.09 -5.00 117.16 125.80 3abk n TYR 22 Ca 0.15 -3.86 0.16 0.00 3.32 0.00 0.00 57.90 57.67 3abk n TYR 22 Cb 0.46 -0.44 0.78 0.00 -0.63 0.00 0.00 39.34 39.51 3abk n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3abk h PRO 23 N 3.28 0.00 -3.34 2.98 0.13 -1.74 -3.30 132.00 130.02 3abk h PRO 23 Ca 0.11 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.58 3abk h PRO 23 Cb 0.80 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.54 3abk h PRO 23 CO 0.61 0.06 -0.42 -0.51 -0.23 0.00 0.00 178.00 177.52 3abk s LEU 24 N -6.57 4.98 1.20 1.56 1.43 -1.26 -4.97 118.68 115.05 3abk s LEU 24 Ca -0.01 -3.36 -0.16 0.00 -1.03 0.00 0.00 54.13 49.57 3abk s LEU 24 Cb 0.11 -1.76 0.28 0.00 0.03 0.00 0.00 46.19 44.86 3abk s LEU 24 CO 0.54 -0.22 1.04 -2.16 0.23 0.00 0.00 176.35 175.78 3abk s PRO 25 N -0.78 -1.17 0.47 1.29 0.04 -1.24 -4.92 135.00 128.69 3abk s PRO 25 Ca 0.21 0.41 0.27 0.00 0.04 0.00 0.00 61.00 61.93 3abk s PRO 25 Cb -0.15 -1.56 0.87 0.00 0.04 0.00 0.00 34.50 33.70 3abk s PRO 25 CO -0.08 -3.78 1.80 -0.44 0.04 0.00 0.00 177.00 174.54 3abk h ASP 26 N -2.64 0.00 -5.10 6.66 3.32 -1.93 -3.45 116.42 113.28 3abk h ASP 26 Ca -0.53 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.33 3abk h ASP 26 Cb 1.33 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.73 3abk h ASP 26 CO 0.45 0.09 -0.67 0.68 -1.72 0.00 0.00 179.24 178.07 3abk s VAL 27 N -3.47 0.32 0.47 -1.35 -7.23 -1.26 -4.96 120.40 102.91 3abk s VAL 27 Ca 0.03 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 3abk s VAL 27 Cb 0.08 -1.84 -0.08 0.00 0.56 0.00 0.00 36.38 35.10 3abk s VAL 27 CO 0.62 -0.70 1.05 0.00 -0.31 0.00 0.00 175.10 175.76 3abk s ALA 28 N -3.88 2.90 0.16 1.32 0.00 -1.26 -4.81 121.76 116.19 3abk s ALA 28 Ca 0.17 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 3abk s ALA 28 Cb 0.07 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3abk s ALA 28 CO -0.03 -0.33 1.72 1.25 0.00 0.00 0.00 175.76 178.37 3abk h HIS 29 N 1.71 0.07 -3.63 0.00 2.76 0.06 -3.40 115.15 112.72 3abk h HIS 29 Ca -0.49 0.03 -0.67 0.00 -2.20 0.00 0.00 60.37 57.03 3abk h HIS 29 Cb 1.22 0.03 -0.24 0.00 1.55 0.00 0.00 27.41 29.97 3abk h HIS 29 CO 0.56 -0.02 -0.60 0.08 -1.30 0.00 0.00 177.93 176.66 3abk s VAL 30 N -6.17 4.29 -0.07 5.26 1.01 -0.01 -4.89 120.40 119.83 3abk s VAL 30 Ca -0.13 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3abk s VAL 30 Cb 0.13 -3.15 -0.24 0.00 0.00 0.00 0.00 36.38 33.12 3abk s VAL 30 CO 0.71 0.14 0.57 2.29 0.00 0.00 0.00 175.10 178.81 3abk n LYS 31 N 4.93 0.68 -3.75 2.72 2.85 -1.26 -4.84 118.16 119.49 3abk n LYS 31 Ca -0.15 0.29 -0.37 0.00 -1.05 0.00 0.00 58.31 57.04 3abk n LYS 31 Cb 0.49 -1.77 -0.12 0.00 -0.65 0.00 0.00 35.03 32.98 3abk n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3abk s ASN 32 N -6.43 5.19 0.02 -5.58 0.02 -1.26 -5.08 114.94 101.82 3abk s ASN 32 Ca -0.11 -0.19 -0.16 0.00 -1.02 0.00 0.00 52.86 51.38 3abk s ASN 32 Cb 0.07 -1.94 -0.06 0.00 0.02 0.00 0.00 41.25 39.35 3abk s ASN 32 CO 0.81 -0.03 0.46 -0.76 0.02 0.00 0.00 177.10 177.60 3abk s LEU 33 N 1.61 4.49 0.99 0.60 1.43 -1.26 -5.03 118.68 121.50 3abk s LEU 33 Ca 0.06 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 3abk s LEU 33 Cb -0.15 -2.69 0.19 0.00 0.03 0.00 0.00 46.19 43.57 3abk s LEU 33 CO 0.04 0.30 1.11 -0.94 0.23 0.00 0.00 176.35 177.09 3abk s SER 34 N -1.04 2.37 0.21 2.29 1.04 -1.26 -4.73 113.70 112.57 3abk s SER 34 Ca 0.25 1.98 -0.09 0.00 0.48 0.00 0.00 55.95 58.57 3abk s SER 34 Cb -0.18 -2.49 0.25 0.00 0.10 0.00 0.00 66.02 63.71 3abk s SER 34 CO 0.15 -3.41 1.79 0.00 0.98 0.00 0.00 173.24 172.75 3abk h ALA 35 N -2.08 0.87 -0.07 5.32 0.00 -1.99 0.18 119.26 121.49 3abk h ALA 35 Ca -0.49 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3abk h ALA 35 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3abk h ALA 35 CO 0.44 -0.01 -0.64 0.66 0.00 0.00 0.00 179.25 179.70 3abk h SER 36 N 0.62 0.33 -0.30 0.00 4.64 -2.00 -1.89 113.55 114.95 3abk h SER 36 Ca 0.30 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3abk h SER 36 Cb 0.24 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 3abk h SER 36 CO -0.21 0.89 0.00 1.56 -0.87 0.00 0.00 176.83 178.20 3abk h GLN 37 N 0.21 0.09 -0.86 4.77 4.20 -1.80 0.41 115.11 122.13 3abk h GLN 37 Ca -0.01 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.80 3abk h GLN 37 Cb 1.17 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.86 3abk h GLN 37 CO 0.10 0.06 0.50 0.87 -0.67 0.00 0.00 178.83 179.69 3abk h LYS 38 N 0.09 0.79 -0.08 1.46 1.57 -0.49 0.18 116.57 120.09 3abk h LYS 38 Ca 0.14 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 3abk h LYS 38 Cb 0.19 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3abk h LYS 38 CO -0.24 0.52 -0.78 0.00 -0.57 0.00 0.00 179.45 178.38 3abk h ALA 39 N 1.48 0.49 -0.67 3.86 0.00 -0.52 -1.43 119.26 122.49 3abk h ALA 39 Ca 0.43 -0.62 0.14 0.00 0.00 0.00 0.00 54.91 54.85 3abk h ALA 39 Cb 0.42 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 3abk h ALA 39 CO -0.26 0.76 0.07 1.25 0.00 0.00 0.00 179.25 181.06 3abk h LEU 40 N 0.32 -0.17 -1.09 0.00 5.85 0.36 1.18 115.31 121.76 3abk h LEU 40 Ca -0.04 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3abk h LEU 40 Cb 1.38 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 3abk h LEU 40 CO 0.14 -0.09 0.61 0.11 -0.34 0.00 0.00 178.44 178.87 3abk h LYS 41 N 0.17 1.18 0.56 1.25 1.79 -0.48 0.12 116.57 121.15 3abk h LYS 41 Ca 0.36 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.73 3abk h LYS 41 Cb 0.60 -0.27 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 3abk h LYS 41 CO -0.53 0.78 -0.27 0.93 -1.08 0.00 0.00 179.45 179.28 3abk h GLU 42 N 1.21 -0.72 -0.87 3.15 4.39 -0.15 -2.77 114.58 118.82 3abk h GLU 42 Ca 0.36 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.31 3abk h GLU 42 Cb -0.06 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 28.63 3abk h GLU 42 CO -0.09 -0.43 0.37 -0.22 -1.16 0.00 0.00 179.01 177.48 3abk h LYS 43 N -0.90 0.39 -0.09 2.33 3.64 0.22 -1.23 116.57 120.94 3abk h LYS 43 Ca -0.08 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3abk h LYS 43 Cb 0.63 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3abk h LYS 43 CO 0.13 0.26 0.28 1.49 -2.27 0.00 0.00 179.45 179.34 3abk h GLU 44 N 0.40 0.00 0.00 1.90 4.81 -0.50 1.06 114.58 122.25 3abk h GLU 44 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3abk h GLU 44 Cb 0.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3abk h GLU 44 CO -0.51 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 178.64 3abk h LYS 45 N 0.00 0.00 0.00 1.92 1.57 -1.18 -3.45 116.57 115.43 3abk h LYS 45 Ca 0.04 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3abk h LYS 45 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.92 3abk h LYS 45 CO -0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.86 3abk n ALA 46 N -1.83 0.37 -1.70 3.86 0.00 0.37 -5.02 120.51 116.55 3abk n ALA 46 Ca 0.03 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 3abk n ALA 46 Cb 0.30 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 3abk n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3abk n SER 47 N -2.80 3.65 0.30 0.00 2.88 -1.26 -4.84 113.62 111.54 3abk n SER 47 Ca 0.05 1.08 0.19 0.00 -1.33 0.00 0.00 58.87 58.86 3abk n SER 47 Cb 0.19 -1.53 0.87 0.00 -0.75 0.00 0.00 64.21 62.99 3abk n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3abk h TRP 48 N 6.11 0.00 0.00 0.66 6.55 -1.90 -1.69 115.95 125.68 3abk h TRP 48 Ca -0.44 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.39 3abk h TRP 48 Cb 1.22 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.52 3abk h TRP 48 CO 0.62 0.02 -0.06 0.77 -1.05 0.00 0.00 178.44 178.74 3abk h SER 49 N 0.00 0.00 -0.10 -3.49 0.02 -2.01 -2.45 113.55 105.53 3abk h SER 49 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3abk h SER 49 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3abk h SER 49 CO 0.00 0.06 0.00 -1.20 -1.14 0.00 0.00 176.83 174.55 3abk n SER 50 N -3.43 1.38 -4.85 3.07 7.64 -0.64 -4.87 113.62 111.93 3abk n SER 50 Ca -0.02 -1.59 -0.34 0.00 1.01 0.00 0.00 58.87 57.93 3abk n SER 50 Cb 0.19 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 3abk n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3abk s LEU 51 N -1.71 4.28 0.72 -3.43 1.02 -0.92 -5.08 118.68 113.55 3abk s LEU 51 Ca 0.34 1.11 -0.09 0.00 0.02 0.00 0.00 54.13 55.51 3abk s LEU 51 Cb 0.18 -3.47 0.05 0.00 0.02 0.00 0.00 46.19 42.97 3abk s LEU 51 CO 0.28 0.03 1.07 -0.94 0.02 0.00 0.00 176.35 176.81 3abk s SER 52 N -1.89 5.01 0.26 2.29 1.04 -1.26 -4.87 113.70 114.28 3abk s SER 52 Ca 0.42 0.76 -0.02 0.00 0.48 0.00 0.00 55.95 57.59 3abk s SER 52 Cb -0.14 -1.46 0.47 0.00 0.10 0.00 0.00 66.02 64.99 3abk s SER 52 CO 0.20 -1.54 1.79 0.40 0.98 0.00 0.00 173.24 175.07 3abk h ILE 53 N -0.68 0.82 -0.01 -1.02 1.08 -1.98 -0.16 117.51 115.57 3abk h ILE 53 Ca -0.45 -0.25 -0.13 0.00 -0.39 0.00 0.00 64.86 63.64 3abk h ILE 53 Cb 1.29 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 3abk h ILE 53 CO 0.63 0.13 -0.63 0.44 -0.69 0.00 0.00 178.15 178.03 3abk h ASP 54 N 0.72 0.03 -0.28 1.72 3.45 -1.98 0.11 116.42 120.18 3abk h ASP 54 Ca 0.43 -0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.71 3abk h ASP 54 Cb 0.51 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3abk h ASP 54 CO -0.30 0.65 -0.47 -0.33 -1.57 0.00 0.00 179.24 177.22 3abk h GLU 55 N 0.02 0.86 -0.21 3.56 5.08 -1.69 -1.05 114.58 121.15 3abk h GLU 55 Ca -0.01 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3abk h GLU 55 Cb 1.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3abk h GLU 55 CO 0.08 1.14 0.04 0.87 -1.00 0.00 0.00 179.01 180.14 3abk h LYS 56 N 0.68 0.34 -0.73 2.33 1.57 -0.74 0.34 116.57 120.36 3abk h LYS 56 Ca 0.04 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3abk h LYS 56 Cb 1.06 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 3abk h LYS 56 CO 0.11 0.47 0.48 0.28 -0.57 0.00 0.00 179.45 180.22 3abk h VAL 57 N 0.15 1.04 0.00 0.50 2.07 -0.77 -1.62 116.25 117.62 3abk h VAL 57 Ca 0.06 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3abk h VAL 57 Cb 0.29 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3abk h VAL 57 CO 0.00 0.14 -0.96 -0.08 0.02 0.00 0.00 177.57 176.69 3abk h GLU 58 N 0.79 0.00 -0.85 1.57 4.22 -0.65 -1.29 114.58 118.37 3abk h GLU 58 Ca 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.72 3abk h GLU 58 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3abk h GLU 58 CO -0.10 0.33 0.41 -0.07 -2.18 0.00 0.00 179.01 177.41 3abk h LEU 59 N 0.00 1.10 0.21 1.64 3.38 -0.07 -2.20 115.31 119.37 3abk h LEU 59 Ca -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3abk h LEU 59 Cb 1.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3abk h LEU 59 CO 0.05 0.92 -0.10 0.22 0.09 0.00 0.00 178.44 179.62 3abk h TYR 60 N 1.21 -0.26 0.00 1.13 3.20 -1.17 -2.96 116.97 118.11 3abk h TYR 60 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3abk h TYR 60 Cb 0.11 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3abk h TYR 60 CO 0.01 -0.08 0.00 0.00 -1.64 0.00 0.00 178.16 176.46 3abk h ARG 61 N -0.40 0.00 0.00 1.82 2.47 -1.11 -1.36 114.38 115.81 3abk h ARG 61 Ca -0.03 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.49 3abk h ARG 61 Cb 0.30 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3abk h ARG 61 CO 0.05 0.00 -1.10 -0.07 0.56 0.00 0.00 179.97 179.40 3abk h LEU 62 N 0.00 0.00 0.14 3.04 3.38 -1.24 -3.37 115.31 117.26 3abk h LEU 62 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3abk h LEU 62 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3abk h LEU 62 CO 0.00 0.85 -1.69 0.50 0.09 0.00 0.00 178.44 178.19 3abk h LYS 63 N 0.00 0.29 -5.91 1.13 1.63 -1.21 0.04 116.57 112.55 3abk h LYS 63 Ca -0.09 -0.50 -0.51 0.00 -0.85 0.00 0.00 60.65 58.70 3abk h LYS 63 Cb 1.72 0.19 -0.20 0.00 -0.60 0.00 0.00 32.23 33.34 3abk h LYS 63 CO 0.10 1.17 -0.80 -0.06 -3.45 0.00 0.00 179.45 176.41 3abk s PHE 64 N -2.59 1.69 -0.04 1.91 0.40 -0.59 0.35 117.98 119.11 3abk s PHE 64 Ca -0.13 -0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 3abk s PHE 64 Cb 0.06 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.69 3abk s PHE 64 CO 0.84 0.22 -0.05 -0.22 0.70 0.00 0.00 175.22 176.72 3abk h LYS 65 N 3.75 0.00 -6.38 0.44 3.64 -1.86 -3.39 116.57 112.77 3abk h LYS 65 Ca -0.43 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.30 3abk h LYS 65 Cb 1.19 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 3abk h LYS 65 CO 0.45 0.00 -0.67 -1.21 -2.27 0.00 0.00 179.45 175.75 3abk s GLU 66 N -1.36 2.46 0.85 1.90 2.02 -1.26 -4.97 118.70 118.33 3abk s GLU 66 Ca -0.04 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 53.92 3abk s GLU 66 Cb 0.01 -2.47 0.10 0.00 0.10 0.00 0.00 34.13 31.86 3abk s GLU 66 CO 0.06 0.52 1.09 -1.54 0.02 0.00 0.00 175.26 175.41 3abk s SER 67 N -2.41 3.97 0.18 -0.19 1.04 -1.26 -4.78 113.70 110.24 3abk s SER 67 Ca 0.25 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 57.92 3abk s SER 67 Cb -0.11 -2.12 0.13 0.00 0.10 0.00 0.00 66.02 64.02 3abk s SER 67 CO 0.18 -2.32 1.63 -0.26 0.98 0.00 0.00 173.24 173.45 3abk h PHE 68 N -1.33 -0.48 -0.69 5.02 -1.00 -2.00 0.11 116.94 116.57 3abk h PHE 68 Ca -0.48 0.05 0.14 0.00 2.81 0.00 0.00 57.97 60.49 3abk h PHE 68 Cb 1.28 0.28 -0.10 0.00 3.61 0.00 0.00 35.95 41.02 3abk h PHE 68 CO 0.45 -0.28 0.18 0.00 -1.61 0.00 0.00 178.31 177.04 3abk h ALA 69 N 1.24 0.88 0.06 2.45 0.00 -1.96 0.24 119.26 122.17 3abk h ALA 69 Ca 0.22 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3abk h ALA 69 Cb 0.44 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3abk h ALA 69 CO -0.52 -0.31 -0.03 0.93 0.00 0.00 0.00 179.25 179.32 3abk h GLU 70 N 0.29 -0.08 0.00 0.00 5.08 -1.73 -3.00 114.58 115.14 3abk h GLU 70 Ca 0.38 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 3abk h GLU 70 Cb 0.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3abk h GLU 70 CO -0.46 0.37 -0.24 0.00 -1.00 0.00 0.00 179.01 177.68 3abk h MET 71 N -0.56 0.00 -0.19 2.33 -0.00 -0.44 -1.97 114.93 114.10 3abk h MET 71 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3abk h MET 71 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.09 3abk h MET 71 CO 0.01 0.24 0.00 0.09 -0.00 0.00 0.00 176.91 177.26 3abk n ASN 72 N -3.43 1.75 -4.76 -0.10 3.02 0.04 -4.99 115.26 106.79 3abk n ASN 72 Ca -0.00 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.44 3abk n ASN 72 Cb 0.43 -0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.50 3abk n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abk s ARG 73 N -1.75 3.28 0.51 3.52 1.70 -0.74 -5.01 118.95 120.44 3abk s ARG 73 Ca 0.32 1.87 -0.06 0.00 -0.47 0.00 0.00 55.73 57.39 3abk s ARG 73 Cb 0.17 -2.14 -0.03 0.00 -0.57 0.00 0.00 34.95 32.38 3abk s ARG 73 CO 0.25 -0.98 0.82 -1.54 -1.08 0.00 0.00 175.30 172.78 3abk s SER 74 N -1.41 6.16 0.26 -2.89 1.04 -1.26 -5.10 113.70 110.50 3abk s SER 74 Ca 0.72 0.92 0.02 0.00 0.48 0.00 0.00 55.95 58.09 3abk s SER 74 Cb -0.31 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 3abk s SER 74 CO 0.36 -0.67 0.08 0.35 0.98 0.00 0.00 173.24 174.34 3abk n THR 75 N -2.34 0.00 -0.42 2.02 -2.24 -1.26 -5.05 114.28 104.99 3abk n THR 75 Ca 0.01 -1.48 0.11 0.00 -2.27 0.00 0.00 64.05 60.42 3abk n THR 75 Cb 0.55 0.51 0.32 0.00 -2.10 0.00 0.00 70.33 69.61 3abk n THR 75 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3abk n ASN 76 N -1.66 4.08 -0.24 3.42 3.02 -1.26 -4.52 115.26 118.09 3abk n ASN 76 Ca -0.05 -2.10 0.09 0.00 -0.03 0.00 0.00 54.58 52.50 3abk n ASN 76 Cb 0.38 -0.50 0.35 0.00 -0.61 0.00 0.00 39.78 39.41 3abk n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3abk h GLU 77 N 4.13 0.74 -0.61 3.52 4.81 -2.01 -1.10 114.58 124.06 3abk h GLU 77 Ca 0.00 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 3abk h GLU 77 Cb 1.07 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 3abk h GLU 77 CO 0.05 0.49 0.41 0.11 -0.73 0.00 0.00 179.01 179.34 3abk h TRP 78 N 0.76 0.34 -0.29 0.92 5.08 -2.00 -0.34 115.95 120.42 3abk h TRP 78 Ca 0.39 0.01 -0.12 0.00 1.08 0.00 0.00 58.89 60.26 3abk h TRP 78 Cb 0.49 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 26.54 3abk h TRP 78 CO -0.00 0.15 -0.28 0.87 -1.28 0.00 0.00 178.44 177.90 3abk h LYS 79 N 0.31 0.70 -0.63 0.12 1.57 -1.55 -0.86 116.57 116.23 3abk h LYS 79 Ca 0.29 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3abk h LYS 79 Cb 0.71 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3abk h LYS 79 CO -0.07 0.98 0.07 1.15 -0.57 0.00 0.00 179.45 181.01 3abk h THR 80 N 0.44 1.26 0.05 -0.16 2.02 -1.29 -1.57 112.91 113.66 3abk h THR 80 Ca 0.05 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3abk h THR 80 Cb 0.84 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3abk h THR 80 CO 0.07 0.39 -0.02 0.58 0.37 0.00 0.00 175.52 176.91 3abk h VAL 81 N 0.98 1.22 -0.46 3.16 2.07 -0.92 -0.35 116.25 121.95 3abk h VAL 81 Ca 0.19 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3abk h VAL 81 Cb 0.47 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3abk h VAL 81 CO 0.02 0.23 0.06 0.58 0.02 0.00 0.00 177.57 178.47 3abk h VAL 82 N -0.46 1.25 -0.18 2.57 2.07 -1.20 -1.05 116.25 119.26 3abk h VAL 82 Ca -0.01 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 3abk h VAL 82 Cb 0.42 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3abk h VAL 82 CO 0.01 0.33 -0.48 1.23 0.02 0.00 0.00 177.57 178.68 3abk h GLY 83 N 0.64 0.51 1.03 2.17 0.00 -1.31 -1.43 103.07 104.68 3abk h GLY 83 Ca 0.14 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 3abk h GLY 83 CO 0.01 0.49 -0.25 0.00 0.00 0.00 0.00 176.54 176.79 3abk h ALA 84 N 1.11 0.53 -0.54 3.60 0.00 -1.00 0.64 119.26 123.62 3abk h ALA 84 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3abk h ALA 84 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3abk h ALA 84 CO 0.09 0.53 0.24 0.00 0.00 0.00 0.00 179.25 180.11 3abk h ALA 85 N 0.78 0.69 -0.67 0.00 0.00 -1.02 -0.82 119.26 118.21 3abk h ALA 85 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3abk h ALA 85 Cb 0.82 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3abk h ALA 85 CO 0.07 0.28 0.42 0.52 0.00 0.00 0.00 179.25 180.53 3abk h MET 86 N 0.72 0.79 -0.35 0.00 2.07 -1.12 -0.25 114.93 116.80 3abk h MET 86 Ca 0.18 -0.05 0.01 0.00 -2.07 0.00 0.00 59.70 57.78 3abk h MET 86 Cb 0.15 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 3abk h MET 86 CO -0.02 0.52 0.20 0.35 1.07 0.00 0.00 176.91 179.04 3abk h PHE 87 N 0.82 0.38 0.00 -0.22 3.57 -0.10 0.75 116.94 122.13 3abk h PHE 87 Ca 0.27 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 3abk h PHE 87 Cb 0.03 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3abk h PHE 87 CO -0.05 0.22 -0.56 0.74 -2.23 0.00 0.00 178.31 176.43 3abk h PHE 88 N 0.41 0.00 -0.36 0.41 -1.00 -0.60 0.11 116.94 115.91 3abk h PHE 88 Ca 0.14 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.87 3abk h PHE 88 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3abk h PHE 88 CO -0.07 0.56 0.04 0.82 -1.61 0.00 0.00 178.31 178.05 3abk h ILE 89 N 0.00 1.24 -0.77 -0.55 2.04 -0.79 -1.73 117.51 116.96 3abk h ILE 89 Ca -0.01 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3abk h ILE 89 Cb 1.02 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3abk h ILE 89 CO 0.07 0.29 0.44 1.23 0.00 0.00 0.00 178.15 180.19 3abk h GLY 90 N 0.44 1.13 1.12 5.37 0.00 -0.49 -2.58 103.07 108.05 3abk h GLY 90 Ca 0.11 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 47.00 3abk h GLY 90 CO 0.01 0.47 0.45 -2.75 0.00 0.00 0.00 176.54 174.73 3abk h PHE 91 N 1.05 0.75 -0.91 5.60 3.57 -0.53 -2.50 116.94 123.97 3abk h PHE 91 Ca 0.27 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3abk h PHE 91 Cb -0.00 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.44 3abk h PHE 91 CO -0.00 0.41 0.59 1.15 -2.23 0.00 0.00 178.31 178.22 3abk h THR 92 N 0.75 1.13 -0.16 4.41 2.02 -0.91 -1.26 112.91 118.88 3abk h THR 92 Ca 0.29 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3abk h THR 92 Cb 0.19 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 3abk h THR 92 CO -0.09 0.20 -0.02 0.00 0.37 0.00 0.00 175.52 175.99 3abk h ALA 93 N 1.38 1.67 -0.77 6.16 0.00 -1.34 0.13 119.26 126.50 3abk h ALA 93 Ca 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3abk h ALA 93 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3abk h ALA 93 CO -0.13 0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.65 3abk h LEU 94 N 0.23 1.01 -0.48 0.00 3.38 -1.11 0.15 115.31 118.49 3abk h LEU 94 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3abk h LEU 94 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3abk h LEU 94 CO 0.01 0.87 0.23 -0.07 0.09 0.00 0.00 178.44 179.56 3abk h LEU 95 N 1.10 0.64 -0.42 1.67 3.38 -0.48 0.11 115.31 121.30 3abk h LEU 95 Ca 0.26 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3abk h LEU 95 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3abk h LEU 95 CO -0.03 0.59 -0.11 -0.07 0.09 0.00 0.00 178.44 178.90 3abk h LEU 96 N 0.64 0.83 -0.30 1.67 3.38 -1.20 -0.20 115.31 120.12 3abk h LEU 96 Ca 0.17 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3abk h LEU 96 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3abk h LEU 96 CO -0.02 1.01 0.14 0.40 0.09 0.00 0.00 178.44 180.05 3abk h ILE 97 N 0.65 0.96 -0.63 1.22 2.04 -0.84 -0.99 117.51 119.93 3abk h ILE 97 Ca 0.11 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.93 3abk h ILE 97 Cb 0.65 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3abk h ILE 97 CO 0.04 0.05 0.34 -0.25 0.00 0.00 0.00 178.15 178.33 3abk h TRP 98 N 0.29 0.61 -0.38 1.37 7.01 -0.74 -2.04 115.95 122.07 3abk h TRP 98 Ca 0.13 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 61.00 3abk h TRP 98 Cb 0.06 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 3abk h TRP 98 CO -0.11 0.28 -0.37 1.49 -2.79 0.00 0.00 178.44 176.94 3abk h GLU 99 N 0.62 0.92 -0.92 2.65 4.81 -0.56 0.44 114.58 122.54 3abk h GLU 99 Ca 0.29 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3abk h GLU 99 Cb 0.21 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3abk h GLU 99 CO -0.19 1.12 0.57 -0.22 -0.73 0.00 0.00 179.01 179.56 3abk h LYS 100 N 0.75 1.23 -0.03 1.92 1.63 -1.00 0.29 116.57 121.36 3abk h LYS 100 Ca 0.07 -0.10 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 3abk h LYS 100 Cb 0.96 -0.26 0.01 0.00 -0.60 0.00 0.00 32.23 32.33 3abk h LYS 100 CO 0.09 0.84 -0.59 1.25 -3.45 0.00 0.00 179.45 177.59 3abk h HIS 101 N 1.25 0.65 0.00 1.91 2.76 -0.91 -3.34 115.15 117.47 3abk h HIS 101 Ca 0.33 -0.33 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3abk h HIS 101 Cb -0.09 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.79 3abk h HIS 101 CO -0.00 1.14 -1.11 0.66 -1.30 0.00 0.00 177.93 177.32 3abk n TYR 102 N -4.21 0.00 -0.08 5.26 4.01 0.10 -4.75 117.16 117.50 3abk n TYR 102 Ca -0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.48 3abk n TYR 102 Cb 0.66 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 3abk n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3abk n VAL 103 N -1.64 0.89 -2.83 -0.72 0.31 0.98 -5.00 118.33 110.32 3abk n VAL 103 Ca -0.00 -0.25 -0.40 0.00 -0.01 0.00 0.00 64.34 63.67 3abk n VAL 103 Cb 0.25 -1.56 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 3abk n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3abk s TYR 104 N -2.30 3.86 0.00 3.52 4.12 -0.94 -5.04 117.35 120.56 3abk s TYR 104 Ca -0.22 1.74 0.00 0.00 0.02 0.00 0.00 57.07 58.60 3abk s TYR 104 Cb 0.08 -2.94 0.00 0.00 -1.52 0.00 0.00 41.96 37.58 3abk s TYR 104 CO 0.30 0.34 0.00 0.41 0.02 0.00 0.00 175.55 176.62 3abk n GLY 105 N 1.97 1.45 3.78 0.71 0.00 -1.26 -4.77 105.19 107.07 3abk n GLY 105 Ca -0.01 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 3abk n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3abk s PRO 106 N -0.46 3.74 0.77 1.61 0.04 -1.26 -5.03 135.00 134.40 3abk s PRO 106 Ca 0.00 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 3abk s PRO 106 Cb 0.00 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.35 3abk s PRO 106 CO 0.00 -0.52 1.13 0.96 0.04 0.00 0.00 177.00 178.61 3abk s ILE 107 N -1.74 2.43 0.84 0.56 -4.36 -1.26 -5.02 121.20 112.65 3abk s ILE 107 Ca 0.66 0.08 -0.13 0.00 -0.26 0.00 0.00 60.65 61.00 3abk s ILE 107 Cb -0.23 -3.13 0.07 0.00 1.25 0.00 0.00 42.46 40.42 3abk s ILE 107 CO 0.27 -0.16 0.97 -2.65 0.24 0.00 0.00 174.94 173.61 3abk n PRO 108 N -3.18 0.03 0.15 0.37 -0.02 -1.26 -4.86 135.00 126.23 3abk n PRO 108 Ca 0.08 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3abk n PRO 108 Cb 0.60 -2.25 0.54 0.00 -0.02 0.00 0.00 33.50 32.37 3abk n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3abk n HIS 109 N -3.36 0.82 0.31 6.00 1.44 -1.26 -2.22 115.22 116.95 3abk n HIS 109 Ca 0.12 0.36 0.07 0.00 -2.01 0.00 0.00 57.72 56.25 3abk n HIS 109 Cb 0.51 -1.07 0.31 0.00 0.12 0.00 0.00 29.99 29.86 3abk n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3abk n THR 110 N -2.28 1.21 1.28 0.61 -2.24 -1.26 -1.65 114.28 109.95 3abk n THR 110 Ca 0.01 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.29 3abk n THR 110 Cb 0.16 -1.25 0.37 0.00 -2.10 0.00 0.00 70.33 67.51 3abk n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3abk n PHE 111 N -1.76 0.04 -1.78 4.78 3.01 -0.94 -4.24 117.46 116.57 3abk n PHE 111 Ca 0.02 -0.02 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 3abk n PHE 111 Cb 0.12 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.64 3abk n PHE 111 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3abk s GLU 112 N -1.96 3.01 0.19 -1.08 2.02 -0.66 -4.81 118.70 115.40 3abk s GLU 112 Ca 0.35 2.19 -0.12 0.00 0.02 0.00 0.00 54.97 57.41 3abk s GLU 112 Cb 0.20 -2.16 0.18 0.00 0.10 0.00 0.00 34.13 32.46 3abk s GLU 112 CO 0.32 -1.28 1.76 1.49 0.02 0.00 0.00 175.26 177.57 3abk h GLU 113 N 1.25 0.42 -0.61 1.61 4.81 -1.92 -1.62 114.58 118.51 3abk h GLU 113 Ca -0.51 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 3abk h GLU 113 Cb 1.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3abk h GLU 113 CO 0.56 0.28 0.02 1.49 -0.73 0.00 0.00 179.01 180.63 3abk h GLU 114 N 0.43 1.06 -0.63 1.92 4.81 -1.96 -2.36 114.58 117.85 3abk h GLU 114 Ca 0.25 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3abk h GLU 114 Cb 0.23 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 3abk h GLU 114 CO -0.22 1.02 0.36 2.35 -0.73 0.00 0.00 179.01 181.80 3abk h TRP 115 N 0.98 0.67 -0.81 0.92 2.91 -1.71 -1.74 115.95 117.16 3abk h TRP 115 Ca 0.18 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.24 3abk h TRP 115 Cb 0.53 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.93 3abk h TRP 115 CO 0.04 0.34 0.53 0.28 -1.03 0.00 0.00 178.44 178.60 3abk h VAL 116 N 0.69 1.18 -0.49 2.65 2.07 -1.16 0.26 116.25 121.45 3abk h VAL 116 Ca 0.27 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3abk h VAL 116 Cb 0.12 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3abk h VAL 116 CO -0.15 0.20 0.19 0.00 0.02 0.00 0.00 177.57 177.82 3abk h ALA 117 N 1.31 0.64 -0.16 1.67 0.00 -1.13 0.59 119.26 122.17 3abk h ALA 117 Ca 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3abk h ALA 117 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3abk h ALA 117 CO -0.08 0.26 0.03 0.87 0.00 0.00 0.00 179.25 180.33 3abk h LYS 118 N 0.66 0.27 -0.83 0.00 1.57 -0.99 -1.64 116.57 115.59 3abk h LYS 118 Ca 0.16 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3abk h LYS 118 Cb 0.21 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3abk h LYS 118 CO -0.01 0.43 0.53 0.37 -0.57 0.00 0.00 179.45 180.21 3abk h GLN 119 N 0.06 1.01 -0.57 3.15 4.15 -0.50 0.14 115.11 122.55 3abk h GLN 119 Ca 0.05 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 3abk h GLN 119 Cb 0.29 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3abk h GLN 119 CO 0.00 0.67 0.22 1.15 -1.93 0.00 0.00 178.83 178.94 3abk h THR 120 N 1.04 1.23 -0.32 2.39 2.02 -0.84 0.30 112.91 118.72 3abk h THR 120 Ca 0.33 -0.71 0.02 0.00 0.77 0.00 0.00 66.41 66.83 3abk h THR 120 Cb 0.01 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3abk h THR 120 CO -0.11 0.27 0.16 0.50 0.37 0.00 0.00 175.52 176.70 3abk h LYS 121 N 0.78 0.32 -0.47 6.66 3.64 -0.75 -1.78 116.57 124.97 3abk h LYS 121 Ca 0.19 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3abk h LYS 121 Cb 0.21 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3abk h LYS 121 CO -0.01 0.21 0.17 -0.09 -2.27 0.00 0.00 179.45 177.45 3abk h ARG 122 N 0.32 0.68 -0.58 1.90 2.43 -0.52 0.24 114.38 118.85 3abk h ARG 122 Ca 0.13 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3abk h ARG 122 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3abk h ARG 122 CO -0.09 0.57 -0.01 0.52 -1.51 0.00 0.00 179.97 179.45 3abk h MET 123 N 0.67 1.01 -0.15 0.20 2.86 -0.70 0.14 114.93 118.96 3abk h MET 123 Ca 0.16 -0.32 -0.19 0.00 -2.06 0.00 0.00 59.70 57.29 3abk h MET 123 Cb 0.16 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3abk h MET 123 CO -0.01 1.00 -0.68 -0.07 1.06 0.00 0.00 176.91 178.20 3abk h LEU 124 N 0.93 0.73 -1.38 1.22 3.38 -0.68 0.70 115.31 120.22 3abk h LEU 124 Ca 0.17 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3abk h LEU 124 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3abk h LEU 124 CO 0.03 1.21 0.22 0.44 0.09 0.00 0.00 178.44 180.43 3abk h ASP 125 N 0.45 0.57 -0.04 -0.43 3.45 -0.06 -1.82 116.42 118.54 3abk h ASP 125 Ca -0.02 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3abk h ASP 125 Cb 1.27 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3abk h ASP 125 CO 0.13 0.49 0.00 1.15 -1.57 0.00 0.00 179.24 179.45 3abk n MET 126 N -4.39 1.49 -3.70 3.56 0.00 0.46 -4.96 117.12 109.59 3abk n MET 126 Ca 0.04 -0.72 -0.25 0.00 0.00 0.00 0.00 57.70 56.77 3abk n MET 126 Cb 0.12 -1.45 0.06 0.00 0.00 0.00 0.00 33.22 31.95 3abk n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3abk n LYS 127 N -0.11 -6.52 -1.59 3.17 5.02 -0.51 -4.92 118.16 112.70 3abk n LYS 127 Ca 0.19 0.72 -0.54 0.00 -2.02 0.00 0.00 58.31 56.67 3abk n LYS 127 Cb 0.28 -5.65 -0.06 0.00 -0.02 0.00 0.00 35.03 29.58 3abk n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3abk n VAL 128 N -4.67 0.03 -3.68 -0.18 0.31 0.12 -3.47 118.33 106.79 3abk n VAL 128 Ca -0.07 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.04 3abk n VAL 128 Cb 0.58 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3abk n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abk n ALA 129 N 2.70 -2.76 0.46 3.52 0.00 -1.26 -0.31 120.51 122.86 3abk n ALA 129 Ca 0.20 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3abk n ALA 129 Cb 0.17 -0.88 0.24 0.00 0.00 0.00 0.00 19.45 18.99 3abk n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3abk h PRO 130 N -0.09 0.00 0.11 0.00 0.13 -1.91 0.40 132.00 130.63 3abk h PRO 130 Ca -0.55 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.25 3abk h PRO 130 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 3abk h PRO 130 CO 0.35 0.00 -1.80 0.82 -0.23 0.00 0.00 178.00 177.14 3abk h ILE 131 N 0.00 0.83 0.00 -3.56 5.03 -1.92 -3.24 117.51 114.65 3abk h ILE 131 Ca 0.00 -2.54 0.00 0.00 -0.12 0.00 0.00 64.86 62.20 3abk h ILE 131 Cb 0.83 2.58 0.00 0.00 -3.03 0.00 0.00 36.82 37.20 3abk h ILE 131 CO 0.00 0.80 0.00 0.00 -0.68 0.00 0.00 178.15 178.27 3abk n GLN 132 N -3.40 0.00 0.11 2.37 6.02 -1.26 -4.83 117.38 116.39 3abk n GLN 132 Ca -0.24 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.51 3abk n GLN 132 Cb 1.05 -0.40 -0.15 0.00 1.02 0.00 0.00 30.24 31.76 3abk n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3abk h GLY 133 N 0.00 0.57 0.00 1.08 0.00 -1.83 -3.43 103.07 99.46 3abk h GLY 133 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 47.33 45.94 3abk h GLY 133 CO 0.00 1.21 0.00 0.33 0.00 0.00 0.00 176.54 178.08 3abk n PHE 134 N -3.85 -0.06 0.03 5.60 7.35 0.06 -4.85 117.46 121.74 3abk n PHE 134 Ca -0.16 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.65 3abk n PHE 134 Cb 1.01 0.07 0.57 0.00 0.35 0.00 0.00 39.48 41.48 3abk n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3abk h SER 135 N 0.00 0.21 -0.25 -2.13 0.02 0.13 0.48 113.55 112.00 3abk h SER 135 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3abk h SER 135 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3abk h SER 135 CO 0.00 0.13 0.47 0.00 -1.14 0.00 0.00 176.83 176.29 3abk h ALA 136 N 1.78 1.83 -0.23 3.77 0.00 -1.51 -1.88 119.26 123.02 3abk h ALA 136 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3abk h ALA 136 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3abk h ALA 136 CO -0.04 -0.59 0.00 1.63 0.00 0.00 0.00 179.25 180.25 3abk n LYS 137 N -3.28 2.07 -4.54 0.00 5.02 0.17 -4.89 118.16 112.71 3abk n LYS 137 Ca 0.04 -1.60 -0.34 0.00 -2.02 0.00 0.00 58.31 54.38 3abk n LYS 137 Cb 0.59 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 3abk n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3abk s TRP 138 N -1.72 3.01 -0.45 2.13 -0.11 -0.71 -0.58 118.94 120.51 3abk s TRP 138 Ca 0.35 0.08 -0.18 0.00 1.22 0.00 0.00 56.10 57.57 3abk s TRP 138 Cb 0.20 -1.73 0.04 0.00 -1.50 0.00 0.00 33.47 30.47 3abk s TRP 138 CO 0.29 0.38 0.50 0.34 -4.62 0.00 0.00 176.95 173.83 3abk s ASP 139 N -0.84 6.20 0.43 5.86 -1.08 0.13 -4.73 116.67 122.64 3abk s ASP 139 Ca 0.13 -0.81 0.24 0.00 -0.52 0.00 0.00 52.55 51.59 3abk s ASP 139 Cb -0.11 -2.24 0.58 0.00 -1.46 0.00 0.00 42.92 39.68 3abk s ASP 139 CO 0.02 -0.69 1.68 1.88 0.52 0.00 0.00 175.17 178.58 3abk h TYR 140 N 8.81 0.00 0.14 -5.34 0.05 -1.93 0.11 116.97 118.81 3abk h TYR 140 Ca -0.27 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 3abk h TYR 140 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3abk h TYR 140 CO 0.66 0.14 -0.07 -0.44 -1.05 0.00 0.00 178.16 177.40 3abk h ASP 141 N 0.00 -0.16 -0.01 3.88 3.45 -1.95 -3.33 116.42 118.30 3abk h ASP 141 Ca -0.00 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.19 3abk h ASP 141 Cb 0.94 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 3abk h ASP 141 CO 0.02 0.42 0.00 0.29 -1.57 0.00 0.00 179.24 178.40 3abk n LYS 142 N -4.88 1.04 -4.13 3.56 5.02 -1.23 -4.95 118.16 112.59 3abk n LYS 142 Ca -0.06 -0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 55.87 3abk n LYS 142 Cb 0.21 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3abk n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abk n ASN 143 N -0.78 -0.46 -3.82 4.39 4.05 0.36 -4.98 115.26 114.03 3abk n ASN 143 Ca 0.17 -1.10 -0.09 0.00 0.45 0.00 0.00 54.58 54.01 3abk n ASN 143 Cb 0.09 -2.52 -0.04 0.00 1.23 0.00 0.00 39.78 38.54 3abk n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3abk s GLU 144 N -6.89 1.44 0.34 1.20 -1.05 -1.12 -4.99 118.70 107.63 3abk s GLU 144 Ca 0.15 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 53.70 3abk s GLU 144 Cb -0.08 0.51 -0.11 0.00 -0.44 0.00 0.00 34.13 34.00 3abk s GLU 144 CO 0.93 -0.61 1.50 0.91 0.95 0.00 0.00 175.26 178.95 3abk n TRP 145 N -0.35 2.85 -2.03 4.83 7.02 -1.26 0.18 117.44 128.68 3abk n TRP 145 Ca -0.07 0.39 -0.38 0.00 -1.02 0.00 0.00 57.50 56.42 3abk n TRP 145 Cb 0.62 -2.54 0.01 0.00 -2.42 0.00 0.00 31.31 26.98 3abk n TRP 145 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3abk s LYS 146 N -1.50 3.50 0.00 -0.99 1.02 0.25 -4.70 119.74 117.31 3abk s LYS 146 Ca 0.57 2.00 0.32 0.00 0.02 0.00 0.00 55.97 58.88 3abk s LYS 146 Cb -0.50 -2.36 1.87 0.00 -0.52 0.00 0.00 37.83 36.32 3abk s LYS 146 CO 0.58 -0.83 2.21 1.63 -0.92 0.00 0.00 175.35 178.02