#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s VAL 5 N 0.00 4.62 0.13 0.44 1.01 -1.26 -5.06 120.40 120.28 1v54 s VAL 5 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1v54 s VAL 5 Cb 0.00 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1v54 s VAL 5 CO 0.00 -0.68 0.50 -0.69 0.00 0.00 0.00 175.10 174.23 1v54 s VAL 6 N 3.38 4.94 0.17 2.92 1.01 -1.26 -5.10 120.40 126.45 1v54 s VAL 6 Ca 0.32 0.68 0.11 0.00 0.00 0.00 0.00 61.98 63.09 1v54 s VAL 6 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1v54 s VAL 6 CO 0.22 0.23 -0.23 -0.54 0.00 0.00 0.00 175.10 174.79 1v54 s LYS 7 N -2.01 1.56 0.14 2.72 1.02 -1.26 -5.07 119.74 116.84 1v54 s LYS 7 Ca 0.37 -1.43 -0.22 0.00 0.02 0.00 0.00 55.97 54.71 1v54 s LYS 7 Cb -0.14 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1v54 s LYS 7 CO 0.19 0.42 1.66 0.77 -0.92 0.00 0.00 175.35 177.47 1v54 h SER 8 N 3.39 -0.53 0.00 2.83 0.02 -2.05 -2.55 113.55 114.66 1v54 h SER 8 Ca -0.48 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1v54 h SER 8 Cb 1.19 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1v54 h SER 8 CO 0.46 -0.22 0.00 -1.84 -1.14 0.00 0.00 176.83 174.09 1v54 n GLU 9 N -5.32 0.59 -0.62 3.45 0.00 -1.26 -2.94 120.64 114.55 1v54 n GLU 9 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.22 1v54 n GLU 9 Cb 0.23 -1.07 0.35 0.00 0.00 0.00 0.00 31.44 30.95 1v54 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1v54 n ASP 10 N -0.34 4.74 0.31 -1.84 8.00 -0.96 -4.52 116.55 121.94 1v54 n ASP 10 Ca 0.00 -2.55 0.17 0.00 0.71 0.00 0.00 54.79 53.12 1v54 n ASP 10 Cb 0.03 -0.57 0.99 0.00 -0.02 0.00 0.00 41.12 41.55 1v54 n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1v54 h TYR 11 N 3.75 0.00 0.00 1.24 -0.00 -1.74 -1.71 116.97 118.51 1v54 h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1v54 h TYR 11 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.23 1v54 h TYR 11 CO 0.77 0.02 -0.33 0.00 -0.00 0.00 0.00 178.16 178.61 1v54 n ALA 12 N -2.23 3.13 -2.79 0.10 0.00 -1.26 -4.90 120.51 112.57 1v54 n ALA 12 Ca -0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 1v54 n ALA 12 Cb 0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 1v54 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1v54 s LEU 13 N -3.02 4.31 0.27 0.00 1.43 -0.64 -5.05 118.68 115.97 1v54 s LEU 13 Ca 0.12 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1v54 s LEU 13 Cb 0.18 -3.15 -0.14 0.00 0.03 0.00 0.00 46.19 43.11 1v54 s LEU 13 CO 0.64 0.11 1.24 -2.65 0.23 0.00 0.00 176.35 175.92 1v54 n PRO 14 N 0.18 1.77 -4.52 1.29 -0.02 -1.26 -4.98 135.00 127.46 1v54 n PRO 14 Ca -0.04 0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 61.83 1v54 n PRO 14 Cb 0.51 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 1v54 n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1v54 s SER 15 N -0.12 3.07 0.01 2.55 1.04 -1.26 -4.86 113.70 114.13 1v54 s SER 15 Ca 0.63 -1.36 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 1v54 s SER 15 Cb -0.67 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.17 1v54 s SER 15 CO 0.56 -0.51 0.36 -0.47 0.98 0.00 0.00 173.24 174.16 1v54 s TYR 16 N -3.01 3.67 -0.06 5.02 5.04 -1.26 -4.09 117.35 122.65 1v54 s TYR 16 Ca 0.35 0.86 -0.09 0.00 -2.44 0.00 0.00 57.07 55.75 1v54 s TYR 16 Cb 0.09 -2.19 0.02 0.00 0.35 0.00 0.00 41.96 40.22 1v54 s TYR 16 CO 0.16 0.62 0.23 0.14 -1.34 0.00 0.00 175.55 175.37 1v54 s VAL 17 N -1.17 0.02 -0.46 3.14 -7.23 -1.26 -5.07 120.40 108.37 1v54 s VAL 17 Ca 0.25 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.12 1v54 s VAL 17 Cb -0.15 -0.40 0.10 0.00 0.56 0.00 0.00 36.38 36.49 1v54 s VAL 17 CO 0.14 -0.11 0.34 -1.81 -0.31 0.00 0.00 175.10 173.35 1v54 s ASP 18 N -0.37 5.79 -0.01 4.85 -0.00 -1.26 -4.62 116.67 121.05 1v54 s ASP 18 Ca -0.05 -1.69 0.00 0.00 -0.00 0.00 0.00 52.55 50.82 1v54 s ASP 18 Cb -0.03 -2.05 0.01 0.00 -0.00 0.00 0.00 42.92 40.85 1v54 s ASP 18 CO 0.01 -0.66 -0.01 -0.13 -0.00 0.00 0.00 175.17 174.39 1v54 s ARG 19 N 1.45 0.13 0.32 8.23 0.52 -1.26 -5.05 118.95 123.29 1v54 s ARG 19 Ca 0.04 -0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 1v54 s ARG 19 Cb -0.25 -0.19 0.55 0.00 0.52 0.00 0.00 34.95 35.58 1v54 s ARG 19 CO 0.02 -0.01 1.97 0.00 0.02 0.00 0.00 175.30 177.29 1v54 h ARG 20 N 6.40 0.95 -0.24 3.54 3.08 -1.98 -2.36 114.38 123.77 1v54 h ARG 20 Ca -0.30 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1v54 h ARG 20 Cb 1.19 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1v54 h ARG 20 CO 0.50 0.63 0.00 -0.40 -1.07 0.00 0.00 179.97 179.63 1v54 n ASP 21 N -4.44 2.24 -3.17 7.04 5.75 -1.26 -4.24 116.55 118.47 1v54 n ASP 21 Ca 0.10 -1.82 -0.20 0.00 -0.01 0.00 0.00 54.79 52.86 1v54 n ASP 21 Cb 0.09 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 1v54 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v54 n TYR 22 N 0.70 -0.19 -0.17 2.11 9.36 -0.89 -5.00 117.16 123.08 1v54 n TYR 22 Ca 0.17 -3.63 0.14 0.00 3.32 0.00 0.00 57.90 57.90 1v54 n TYR 22 Cb 0.42 -0.28 0.48 0.00 -0.63 0.00 0.00 39.34 39.32 1v54 n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1v54 h PRO 23 N 3.37 0.46 -3.88 2.98 0.13 -1.72 -3.36 132.00 129.98 1v54 h PRO 23 Ca 0.08 -0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.49 1v54 h PRO 23 Cb 0.94 -0.10 -0.35 0.00 0.13 0.00 0.00 31.00 31.62 1v54 h PRO 23 CO 0.47 0.30 -0.44 -0.51 -0.23 0.00 0.00 178.00 177.59 1v54 s LEU 24 N -9.44 5.18 1.06 1.56 1.43 -1.26 -4.96 118.68 112.26 1v54 s LEU 24 Ca -0.08 -2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 50.30 1v54 s LEU 24 Cb 0.21 -1.83 0.21 0.00 0.03 0.00 0.00 46.19 44.81 1v54 s LEU 24 CO 0.77 -0.42 0.97 -2.65 0.23 0.00 0.00 176.35 175.25 1v54 n PRO 25 N 3.82 -1.50 0.20 1.29 -0.02 -1.26 -4.93 135.00 132.60 1v54 n PRO 25 Ca 0.04 -0.39 0.04 0.00 -2.02 0.00 0.00 63.50 61.17 1v54 n PRO 25 Cb 0.39 -2.20 0.43 0.00 -0.02 0.00 0.00 33.50 32.09 1v54 n PRO 25 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1v54 h ASP 26 N -2.28 0.00 -4.17 2.55 3.32 -1.94 -3.44 116.42 110.46 1v54 h ASP 26 Ca -0.53 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.21 1v54 h ASP 26 Cb 1.31 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 1v54 h ASP 26 CO 0.44 0.30 -0.68 0.68 -1.72 0.00 0.00 179.24 178.26 1v54 s VAL 27 N -4.25 0.94 0.42 -1.35 -7.23 -1.26 -4.97 120.40 102.70 1v54 s VAL 27 Ca -0.03 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 1v54 s VAL 27 Cb 0.14 -2.02 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 1v54 s VAL 27 CO 0.70 -0.58 0.99 0.00 -0.31 0.00 0.00 175.10 175.90 1v54 s ALA 28 N -3.48 3.04 0.18 1.32 0.00 -1.26 -4.76 121.76 116.80 1v54 s ALA 28 Ca 0.21 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1v54 s ALA 28 Cb 0.05 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 20.10 1v54 s ALA 28 CO 0.03 -0.05 1.77 1.25 0.00 0.00 0.00 175.76 178.76 1v54 h HIS 29 N 2.18 0.38 -3.30 0.00 2.76 -0.69 -3.39 115.15 113.09 1v54 h HIS 29 Ca -0.49 0.02 -0.67 0.00 -2.20 0.00 0.00 60.37 57.04 1v54 h HIS 29 Cb 1.20 -0.10 -0.32 0.00 1.55 0.00 0.00 27.41 29.75 1v54 h HIS 29 CO 0.60 0.16 -0.78 0.08 -1.30 0.00 0.00 177.93 176.68 1v54 s VAL 30 N -6.13 2.73 -0.18 5.26 1.01 0.03 -1.98 120.40 121.15 1v54 s VAL 30 Ca -0.13 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1v54 s VAL 30 Cb 0.14 -2.25 -0.23 0.00 0.00 0.00 0.00 36.38 34.05 1v54 s VAL 30 CO 0.73 0.42 0.14 2.29 0.00 0.00 0.00 175.10 178.67 1v54 n LYS 31 N 4.69 0.68 -3.14 2.72 2.85 -1.26 -4.82 118.16 119.89 1v54 n LYS 31 Ca -0.19 0.13 -0.39 0.00 -1.05 0.00 0.00 58.31 56.81 1v54 n LYS 31 Cb 0.50 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 33.23 1v54 n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1v54 s ASN 32 N -6.09 6.81 -0.03 -5.58 0.02 -1.26 -5.06 114.94 103.76 1v54 s ASN 32 Ca -0.18 0.98 0.03 0.00 -1.02 0.00 0.00 52.86 52.68 1v54 s ASN 32 Cb 0.07 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 1v54 s ASN 32 CO 0.76 -0.13 -0.10 -0.76 0.02 0.00 0.00 177.10 176.88 1v54 s LEU 33 N 1.10 2.99 0.95 0.60 1.43 -1.26 -5.10 118.68 119.39 1v54 s LEU 33 Ca 0.32 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 1v54 s LEU 33 Cb -0.16 -1.68 0.20 0.00 0.03 0.00 0.00 46.19 44.58 1v54 s LEU 33 CO 0.14 0.32 1.30 -0.94 0.23 0.00 0.00 176.35 177.40 1v54 s SER 34 N -1.07 3.17 0.15 2.29 1.04 -1.26 -4.69 113.70 113.32 1v54 s SER 34 Ca 0.14 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.60 1v54 s SER 34 Cb -0.11 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.78 1v54 s SER 34 CO 0.04 -2.69 1.77 0.00 0.98 0.00 0.00 173.24 173.34 1v54 h ALA 35 N -1.58 0.41 -0.15 5.32 0.00 -2.00 0.97 119.26 122.23 1v54 h ALA 35 Ca -0.44 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1v54 h ALA 35 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1v54 h ALA 35 CO 0.37 -0.21 -0.43 0.66 0.00 0.00 0.00 179.25 179.65 1v54 h SER 36 N 0.35 0.37 -0.38 0.00 4.64 -1.99 -2.12 113.55 114.42 1v54 h SER 36 Ca 0.14 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 1v54 h SER 36 Cb 0.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1v54 h SER 36 CO -0.10 0.75 -0.33 1.56 -0.87 0.00 0.00 176.83 177.84 1v54 h GLN 37 N 0.29 0.92 -0.88 4.77 4.20 -1.81 -0.73 115.11 121.86 1v54 h GLN 37 Ca 0.02 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 1v54 h GLN 37 Cb 0.87 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 1v54 h GLN 37 CO 0.07 1.10 0.47 0.87 -0.67 0.00 0.00 178.83 180.68 1v54 h LYS 38 N 0.76 1.24 -0.31 1.46 1.57 -0.68 -1.35 116.57 119.26 1v54 h LYS 38 Ca 0.08 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1v54 h LYS 38 Cb 0.91 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1v54 h LYS 38 CO 0.08 0.91 -0.17 0.00 -0.57 0.00 0.00 179.45 179.71 1v54 h ALA 39 N 1.28 1.14 -0.47 3.86 0.00 -0.97 -2.19 119.26 121.91 1v54 h ALA 39 Ca 0.31 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1v54 h ALA 39 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1v54 h ALA 39 CO -0.05 0.54 -0.08 1.25 0.00 0.00 0.00 179.25 180.92 1v54 h LEU 40 N 0.50 0.89 -1.70 0.00 5.85 -0.41 -0.54 115.31 119.90 1v54 h LEU 40 Ca 0.08 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1v54 h LEU 40 Cb 0.58 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1v54 h LEU 40 CO 0.04 1.02 -0.11 0.11 -0.34 0.00 0.00 178.44 179.17 1v54 h LYS 41 N 0.73 0.06 -0.07 1.25 1.79 -0.99 0.47 116.57 119.81 1v54 h LYS 41 Ca 0.12 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1v54 h LYS 41 Cb 0.62 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1v54 h LYS 41 CO 0.04 0.17 -0.25 0.93 -1.08 0.00 0.00 179.45 179.26 1v54 h GLU 42 N 0.06 0.29 -0.16 3.15 4.39 -0.95 -3.16 114.58 118.19 1v54 h GLU 42 Ca 0.01 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1v54 h GLU 42 Cb 0.23 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1v54 h GLU 42 CO 0.01 0.85 0.08 -0.22 -1.16 0.00 0.00 179.01 178.57 1v54 h LYS 43 N -0.21 0.21 0.00 2.33 3.64 -0.32 -1.37 116.57 120.85 1v54 h LYS 43 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1v54 h LYS 43 Cb 0.88 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1v54 h LYS 43 CO 0.05 0.16 -0.01 1.49 -2.27 0.00 0.00 179.45 178.88 1v54 h GLU 44 N 0.22 0.00 0.00 1.90 4.81 -0.90 -1.37 114.58 119.24 1v54 h GLU 44 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1v54 h GLU 44 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1v54 h GLU 44 CO -0.01 0.01 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1v54 n LYS 45 N -3.19 0.16 -2.06 1.92 5.02 -0.52 -4.79 118.16 114.69 1v54 n LYS 45 Ca -0.02 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 1v54 n LYS 45 Cb 0.12 -1.72 0.06 0.00 -0.02 0.00 0.00 35.03 33.47 1v54 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1v54 n ALA 46 N -1.69 0.46 -1.66 7.82 0.00 -0.52 -5.03 120.51 119.90 1v54 n ALA 46 Ca 0.05 -1.30 -0.46 0.00 0.00 0.00 0.00 53.44 51.73 1v54 n ALA 46 Cb 0.33 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1v54 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v54 n SER 47 N -2.76 2.74 0.10 0.00 2.88 -1.26 -4.86 113.62 110.46 1v54 n SER 47 Ca 0.11 1.12 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 1v54 n SER 47 Cb 0.38 -1.40 0.45 0.00 -0.75 0.00 0.00 64.21 62.89 1v54 n SER 47 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1v54 n TRP 48 N 2.47 0.67 0.21 0.66 8.01 -1.26 -2.39 117.44 125.81 1v54 n TRP 48 Ca 0.14 0.25 0.05 0.00 -1.31 0.00 0.00 57.50 56.63 1v54 n TRP 48 Cb 0.29 -0.90 0.46 0.00 -2.01 0.00 0.00 31.31 29.15 1v54 n TRP 48 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1v54 h SER 49 N 0.00 0.00 0.97 -0.99 0.02 -2.00 -2.07 113.55 109.48 1v54 h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1v54 h SER 49 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1v54 h SER 49 CO 0.00 0.29 0.00 -1.20 -1.14 0.00 0.00 176.83 174.78 1v54 n SER 50 N -3.99 0.03 -4.76 3.07 7.64 -1.00 -4.80 113.62 109.80 1v54 n SER 50 Ca -0.02 0.50 -0.40 0.00 1.01 0.00 0.00 58.87 59.97 1v54 n SER 50 Cb 0.35 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1v54 n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1v54 s LEU 51 N -3.06 4.58 0.62 -3.43 1.02 -0.78 -5.07 118.68 112.56 1v54 s LEU 51 Ca 0.13 1.69 -0.10 0.00 0.02 0.00 0.00 54.13 55.87 1v54 s LEU 51 Cb 0.18 -3.37 -0.02 0.00 0.02 0.00 0.00 46.19 42.99 1v54 s LEU 51 CO 0.51 0.15 1.00 -0.94 0.02 0.00 0.00 176.35 177.09 1v54 s SER 52 N -0.91 6.02 0.17 2.29 1.04 -1.26 -4.87 113.70 116.19 1v54 s SER 52 Ca 0.38 1.24 -0.14 0.00 0.48 0.00 0.00 55.95 57.91 1v54 s SER 52 Cb -0.23 -2.27 0.14 0.00 0.10 0.00 0.00 66.02 63.76 1v54 s SER 52 CO 0.27 -0.94 1.73 0.40 0.98 0.00 0.00 173.24 175.68 1v54 h ILE 53 N -0.31 0.80 -0.75 -1.02 1.08 -1.98 0.67 117.51 116.02 1v54 h ILE 53 Ca -0.45 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1v54 h ILE 53 Cb 1.21 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.44 1v54 h ILE 53 CO 0.62 0.05 0.49 0.44 -0.69 0.00 0.00 178.15 179.06 1v54 h ASP 54 N 0.26 0.85 0.03 1.72 3.45 -1.99 -0.30 116.42 120.44 1v54 h ASP 54 Ca 0.21 -0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.49 1v54 h ASP 54 Cb 0.25 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1v54 h ASP 54 CO -0.26 0.62 -0.56 -0.33 -1.57 0.00 0.00 179.24 177.14 1v54 h GLU 55 N 1.01 0.56 -0.43 3.56 5.08 -1.61 -1.70 114.58 121.04 1v54 h GLU 55 Ca 0.27 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1v54 h GLU 55 Cb -0.11 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1v54 h GLU 55 CO -0.06 0.97 -0.21 0.87 -1.00 0.00 0.00 179.01 179.58 1v54 h LYS 56 N 0.43 0.86 -0.53 2.33 1.57 -0.05 -1.05 116.57 120.13 1v54 h LYS 56 Ca 0.01 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1v54 h LYS 56 Cb 1.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1v54 h LYS 56 CO 0.11 0.99 -0.04 0.28 -0.57 0.00 0.00 179.45 180.22 1v54 h VAL 57 N 0.75 1.26 -0.29 0.50 2.07 -1.02 -1.07 116.25 118.46 1v54 h VAL 57 Ca 0.10 -1.14 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 1v54 h VAL 57 Cb 0.75 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1v54 h VAL 57 CO 0.06 0.40 -0.32 -0.08 0.02 0.00 0.00 177.57 177.65 1v54 h GLU 58 N 0.85 0.61 -0.55 1.57 4.81 -1.03 -0.72 114.58 120.11 1v54 h GLU 58 Ca 0.15 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1v54 h GLU 58 Cb 0.55 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1v54 h GLU 58 CO 0.03 0.85 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.09 1v54 h LEU 59 N 0.52 0.93 -0.24 1.64 3.38 -0.78 -1.90 115.31 118.87 1v54 h LEU 59 Ca 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1v54 h LEU 59 Cb 0.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1v54 h LEU 59 CO 0.07 0.99 0.07 0.22 0.09 0.00 0.00 178.44 179.88 1v54 h TYR 60 N 0.88 0.39 0.00 1.13 3.20 -0.98 -2.80 116.97 118.78 1v54 h TYR 60 Ca 0.16 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1v54 h TYR 60 Cb 0.53 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1v54 h TYR 60 CO 0.03 0.45 0.00 0.00 -1.64 0.00 0.00 178.16 177.00 1v54 h ARG 61 N 0.21 0.00 0.16 1.82 2.47 -0.95 0.15 114.38 118.24 1v54 h ARG 61 Ca 0.08 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.50 1v54 h ARG 61 Cb 0.25 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1v54 h ARG 61 CO -0.00 0.00 -1.30 -0.07 0.56 0.00 0.00 179.97 179.16 1v54 h LEU 62 N 0.00 0.65 0.12 3.04 3.38 -1.12 -3.37 115.31 118.01 1v54 h LEU 62 Ca 0.00 -0.67 -0.19 0.00 0.09 0.00 0.00 57.88 57.11 1v54 h LEU 62 Cb 0.31 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1v54 h LEU 62 CO 0.00 1.51 -0.83 0.50 0.09 0.00 0.00 178.44 179.71 1v54 h LYS 63 N 0.15 0.36 -6.69 1.13 1.63 -1.13 0.16 116.57 112.17 1v54 h LYS 63 Ca -0.18 -0.54 -0.66 0.00 -0.85 0.00 0.00 60.65 58.41 1v54 h LYS 63 Cb 2.00 0.19 -0.20 0.00 -0.60 0.00 0.00 32.23 33.62 1v54 h LYS 63 CO 0.23 1.23 -0.84 -0.06 -3.45 0.00 0.00 179.45 176.57 1v54 s PHE 64 N -2.65 2.28 -0.09 1.91 0.40 0.46 -0.53 117.98 119.76 1v54 s PHE 64 Ca -0.13 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1v54 s PHE 64 Cb 0.02 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 1v54 s PHE 64 CO 0.84 0.44 -0.05 -0.22 0.70 0.00 0.00 175.22 176.93 1v54 h LYS 65 N 3.45 0.00 -6.70 0.44 3.64 -1.86 -3.38 116.57 112.16 1v54 h LYS 65 Ca -0.48 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.22 1v54 h LYS 65 Cb 1.19 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.80 1v54 h LYS 65 CO 0.45 0.00 -0.82 -1.21 -2.27 0.00 0.00 179.45 175.60 1v54 s GLU 66 N -1.63 1.84 0.86 1.90 2.02 -1.26 -5.00 118.70 117.42 1v54 s GLU 66 Ca -0.04 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.71 1v54 s GLU 66 Cb 0.01 -2.10 0.11 0.00 0.10 0.00 0.00 34.13 32.25 1v54 s GLU 66 CO 0.06 0.50 1.14 -1.54 0.02 0.00 0.00 175.26 175.44 1v54 s SER 67 N -1.77 4.00 0.19 -0.19 1.04 -1.26 -4.80 113.70 110.92 1v54 s SER 67 Ca 0.15 0.96 -0.10 0.00 0.48 0.00 0.00 55.95 57.44 1v54 s SER 67 Cb -0.10 -1.54 0.12 0.00 0.10 0.00 0.00 66.02 64.60 1v54 s SER 67 CO 0.07 -2.24 1.79 -0.26 0.98 0.00 0.00 173.24 173.58 1v54 h PHE 68 N -1.28 0.99 -0.71 5.02 -1.00 -2.00 -1.03 116.94 116.92 1v54 h PHE 68 Ca -0.49 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.32 1v54 h PHE 68 Cb 1.32 -0.31 -0.06 0.00 3.61 0.00 0.00 35.95 40.51 1v54 h PHE 68 CO 0.33 0.73 0.39 0.00 -1.61 0.00 0.00 178.31 178.15 1v54 h ALA 69 N 1.17 0.97 -0.16 2.45 0.00 -1.96 -0.37 119.26 121.36 1v54 h ALA 69 Ca 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1v54 h ALA 69 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1v54 h ALA 69 CO -0.03 0.05 -0.02 0.93 0.00 0.00 0.00 179.25 180.18 1v54 h GLU 70 N 0.70 0.30 0.00 0.00 5.08 -1.85 -3.02 114.58 115.79 1v54 h GLU 70 Ca 0.33 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1v54 h GLU 70 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1v54 h GLU 70 CO -0.21 0.55 -0.20 0.00 -1.00 0.00 0.00 179.01 178.15 1v54 h MET 71 N 0.03 0.00 -0.65 2.33 -0.00 -0.79 -3.08 114.93 112.77 1v54 h MET 71 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1v54 h MET 71 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1v54 h MET 71 CO 0.01 0.20 0.00 0.09 -0.00 0.00 0.00 176.91 177.21 1v54 n ASN 72 N -3.36 4.12 -4.77 -0.10 3.02 -0.18 -4.98 115.26 109.02 1v54 n ASN 72 Ca 0.00 -2.31 -0.39 0.00 -0.03 0.00 0.00 54.58 51.85 1v54 n ASN 72 Cb 0.42 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 1v54 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v54 s ARG 73 N -1.67 3.97 0.51 3.52 1.70 -1.15 -5.03 118.95 120.80 1v54 s ARG 73 Ca 0.45 2.04 -0.04 0.00 -0.47 0.00 0.00 55.73 57.72 1v54 s ARG 73 Cb 0.28 -2.71 -0.01 0.00 -0.57 0.00 0.00 34.95 31.94 1v54 s ARG 73 CO 0.24 -0.46 0.79 -1.54 -1.08 0.00 0.00 175.30 173.25 1v54 s SER 74 N -0.89 5.88 0.42 -2.89 1.04 -1.26 -5.11 113.70 110.88 1v54 s SER 74 Ca 0.57 0.65 0.04 0.00 0.48 0.00 0.00 55.95 57.69 1v54 s SER 74 Cb -0.35 -1.83 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 1v54 s SER 74 CO 0.45 -0.79 0.15 0.42 0.98 0.00 0.00 173.24 174.44 1v54 s THR 75 N -2.77 0.51 -1.60 2.02 -4.23 -1.26 -5.04 115.64 103.28 1v54 s THR 75 Ca 0.50 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.19 1v54 s THR 75 Cb -0.10 -2.31 0.61 0.00 1.34 0.00 0.00 72.50 72.04 1v54 s THR 75 CO 0.43 0.00 1.51 0.59 -0.54 0.00 0.00 174.62 176.61 1v54 n ASN 76 N -1.41 3.91 -0.17 3.99 3.02 -1.26 -4.52 115.26 118.83 1v54 n ASN 76 Ca -0.06 -2.20 0.12 0.00 -0.03 0.00 0.00 54.58 52.42 1v54 n ASN 76 Cb 0.65 -0.49 0.45 0.00 -0.61 0.00 0.00 39.78 39.77 1v54 n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1v54 h GLU 77 N 3.76 0.52 -0.32 3.52 4.81 -2.01 -1.95 114.58 122.91 1v54 h GLU 77 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1v54 h GLU 77 Cb 1.10 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1v54 h GLU 77 CO 0.11 0.34 0.22 0.11 -0.73 0.00 0.00 179.01 179.06 1v54 h TRP 78 N 0.54 0.20 -0.23 0.92 5.08 -2.00 -0.62 115.95 119.84 1v54 h TRP 78 Ca 0.35 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.31 1v54 h TRP 78 Cb 0.63 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 1v54 h TRP 78 CO -0.00 0.11 0.07 0.87 -1.28 0.00 0.00 178.44 178.21 1v54 h LYS 79 N 0.20 0.37 -0.34 0.12 1.57 -1.71 -0.28 116.57 116.49 1v54 h LYS 79 Ca 0.14 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1v54 h LYS 79 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1v54 h LYS 79 CO -0.02 0.46 0.12 1.15 -0.57 0.00 0.00 179.45 180.58 1v54 h THR 80 N 0.20 1.20 0.49 -0.16 2.02 -1.35 -0.43 112.91 114.87 1v54 h THR 80 Ca 0.07 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1v54 h THR 80 Cb 0.25 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1v54 h THR 80 CO -0.00 0.22 -0.23 0.58 0.37 0.00 0.00 175.52 176.46 1v54 h VAL 81 N 0.40 0.51 -0.53 3.16 2.07 -1.02 -0.68 116.25 120.17 1v54 h VAL 81 Ca 0.11 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1v54 h VAL 81 Cb 0.23 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1v54 h VAL 81 CO -0.01 0.02 0.21 0.58 0.02 0.00 0.00 177.57 178.39 1v54 h VAL 82 N -0.73 1.22 -0.49 2.57 2.07 -1.09 -0.65 116.25 119.15 1v54 h VAL 82 Ca -0.07 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1v54 h VAL 82 Cb 0.54 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1v54 h VAL 82 CO 0.11 0.26 0.18 1.23 0.02 0.00 0.00 177.57 179.37 1v54 h GLY 83 N 0.71 0.80 1.04 2.17 0.00 -1.07 -1.39 103.07 105.33 1v54 h GLY 83 Ca 0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1v54 h GLY 83 CO -0.01 0.42 -0.08 0.00 0.00 0.00 0.00 176.54 176.87 1v54 h ALA 84 N 1.03 0.66 -0.46 3.60 0.00 -0.97 -1.16 119.26 121.96 1v54 h ALA 84 Ca 0.16 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1v54 h ALA 84 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1v54 h ALA 84 CO -0.01 0.54 0.29 0.00 0.00 0.00 0.00 179.25 180.07 1v54 h ALA 85 N 0.90 0.59 -0.39 0.00 0.00 -0.98 -1.22 119.26 118.16 1v54 h ALA 85 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1v54 h ALA 85 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1v54 h ALA 85 CO 0.04 -0.01 0.07 0.52 0.00 0.00 0.00 179.25 179.86 1v54 h MET 86 N 0.58 0.59 -0.63 0.00 2.07 -0.99 -0.53 114.93 116.01 1v54 h MET 86 Ca 0.18 -0.11 -0.06 0.00 -2.07 0.00 0.00 59.70 57.64 1v54 h MET 86 Cb -0.01 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 29.60 1v54 h MET 86 CO -0.07 0.56 0.16 0.35 1.07 0.00 0.00 176.91 178.98 1v54 h PHE 87 N 0.57 1.05 -0.03 -0.22 3.57 -0.23 0.56 116.94 122.21 1v54 h PHE 87 Ca 0.13 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1v54 h PHE 87 Cb 0.26 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1v54 h PHE 87 CO 0.01 0.87 -0.64 0.74 -2.23 0.00 0.00 178.31 177.06 1v54 h PHE 88 N 0.92 0.17 -0.16 0.41 -1.00 -0.65 0.12 116.94 116.75 1v54 h PHE 88 Ca 0.20 -0.07 -0.14 0.00 2.81 0.00 0.00 57.97 60.77 1v54 h PHE 88 Cb 0.35 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1v54 h PHE 88 CO 0.03 0.73 -0.51 0.82 -1.61 0.00 0.00 178.31 177.77 1v54 h ILE 89 N 0.09 1.33 -0.38 -0.55 2.04 -0.92 -1.63 117.51 117.49 1v54 h ILE 89 Ca -0.01 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.01 1v54 h ILE 89 Cb 1.15 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1v54 h ILE 89 CO 0.09 0.54 -0.11 1.23 0.00 0.00 0.00 178.15 179.89 1v54 h GLY 90 N 1.18 0.80 1.19 5.37 0.00 -0.54 -2.54 103.07 108.53 1v54 h GLY 90 Ca 0.01 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 46.72 1v54 h GLY 90 CO 0.09 0.62 0.42 -2.75 0.00 0.00 0.00 176.54 174.92 1v54 h PHE 91 N 0.54 0.68 -0.93 5.60 3.57 -0.46 -2.14 116.94 123.79 1v54 h PHE 91 Ca 0.09 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1v54 h PHE 91 Cb 0.64 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1v54 h PHE 91 CO 0.05 0.37 0.61 1.15 -2.23 0.00 0.00 178.31 178.26 1v54 h THR 92 N 0.68 1.17 0.00 4.41 2.02 -0.87 -0.88 112.91 119.45 1v54 h THR 92 Ca 0.27 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1v54 h THR 92 Cb 0.19 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1v54 h THR 92 CO -0.08 0.22 -0.03 0.00 0.37 0.00 0.00 175.52 175.99 1v54 h ALA 93 N 1.37 1.87 -0.36 6.16 0.00 -1.27 -0.42 119.26 126.61 1v54 h ALA 93 Ca 0.36 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1v54 h ALA 93 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1v54 h ALA 93 CO -0.11 0.04 -0.20 -0.07 0.00 0.00 0.00 179.25 178.91 1v54 h LEU 94 N 0.00 0.70 -0.73 0.00 3.38 -1.13 -0.29 115.31 117.24 1v54 h LEU 94 Ca -0.00 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1v54 h LEU 94 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1v54 h LEU 94 CO 0.00 0.89 -0.24 -0.07 0.09 0.00 0.00 178.44 179.12 1v54 h LEU 95 N 0.61 0.73 -0.58 1.67 3.38 -0.93 -1.33 115.31 118.86 1v54 h LEU 95 Ca 0.09 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1v54 h LEU 95 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1v54 h LEU 95 CO 0.05 0.94 -0.35 -0.07 0.09 0.00 0.00 178.44 179.11 1v54 h LEU 96 N 0.63 0.79 -0.27 1.67 3.38 -0.95 -1.31 115.31 119.25 1v54 h LEU 96 Ca 0.09 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1v54 h LEU 96 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1v54 h LEU 96 CO 0.06 1.06 0.10 0.40 0.09 0.00 0.00 178.44 180.15 1v54 h ILE 97 N 0.62 1.18 -0.81 1.22 2.04 -0.80 -0.98 117.51 119.99 1v54 h ILE 97 Ca 0.06 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1v54 h ILE 97 Cb 0.88 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1v54 h ILE 97 CO 0.08 0.19 0.51 -0.25 0.00 0.00 0.00 178.15 178.68 1v54 h TRP 98 N 0.28 0.95 0.01 1.37 7.01 -1.09 -1.72 115.95 122.77 1v54 h TRP 98 Ca 0.09 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1v54 h TRP 98 Cb 0.20 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1v54 h TRP 98 CO -0.00 0.52 -0.01 1.49 -2.79 0.00 0.00 178.44 177.66 1v54 h GLU 99 N 0.97 -0.01 -0.86 2.65 4.81 -0.78 0.40 114.58 121.76 1v54 h GLU 99 Ca 0.33 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 1v54 h GLU 99 Cb 0.06 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1v54 h GLU 99 CO -0.13 0.12 0.56 -0.22 -0.73 0.00 0.00 179.01 178.61 1v54 h LYS 100 N -0.14 1.03 -0.00 1.92 1.63 -0.89 0.64 116.57 120.76 1v54 h LYS 100 Ca -0.00 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1v54 h LYS 100 Cb 0.14 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1v54 h LYS 100 CO 0.00 0.68 -0.04 1.25 -3.45 0.00 0.00 179.45 177.89 1v54 h HIS 101 N 1.06 0.04 0.00 1.91 2.76 -1.06 -3.34 115.15 116.52 1v54 h HIS 101 Ca 0.34 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1v54 h HIS 101 Cb 0.04 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1v54 h HIS 101 CO -0.00 0.77 -1.67 0.66 -1.30 0.00 0.00 177.93 176.39 1v54 n TYR 102 N -4.70 0.05 -0.08 5.26 4.01 0.11 -4.75 117.16 117.06 1v54 n TYR 102 Ca -0.09 0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.49 1v54 n TYR 102 Cb 0.38 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 1v54 n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1v54 n VAL 103 N -2.08 0.98 -2.41 -0.72 0.31 0.14 -5.00 118.33 109.56 1v54 n VAL 103 Ca -0.02 -0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 63.70 1v54 n VAL 103 Cb 0.50 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 1v54 n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1v54 s TYR 104 N -2.34 3.46 0.00 3.52 4.12 -0.73 -5.04 117.35 120.34 1v54 s TYR 104 Ca -0.23 1.42 0.00 0.00 0.02 0.00 0.00 57.07 58.27 1v54 s TYR 104 Cb 0.09 -3.40 0.00 0.00 -1.52 0.00 0.00 41.96 37.12 1v54 s TYR 104 CO 0.30 -1.13 0.00 0.41 0.02 0.00 0.00 175.55 175.14 1v54 n GLY 105 N 2.45 0.86 3.79 0.71 0.00 -1.26 -4.78 105.19 106.95 1v54 n GLY 105 Ca 0.05 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1v54 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v54 s PRO 106 N -1.94 3.33 0.66 1.61 0.04 -1.26 -5.03 135.00 132.41 1v54 s PRO 106 Ca 0.00 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 1v54 s PRO 106 Cb 0.00 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1v54 s PRO 106 CO 0.00 -0.82 1.00 0.96 0.04 0.00 0.00 177.00 178.18 1v54 s ILE 107 N -2.15 3.24 0.58 0.56 -4.36 -1.26 -5.02 121.20 112.79 1v54 s ILE 107 Ca 0.67 0.11 -0.18 0.00 -0.26 0.00 0.00 60.65 60.99 1v54 s ILE 107 Cb -0.19 -3.35 -0.07 0.00 1.25 0.00 0.00 42.46 40.10 1v54 s ILE 107 CO 0.31 -0.40 0.69 -2.65 0.24 0.00 0.00 174.94 173.13 1v54 n PRO 108 N -2.83 0.65 0.18 0.37 -0.02 -1.26 -4.88 135.00 127.21 1v54 n PRO 108 Ca 0.06 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1v54 n PRO 108 Cb 0.58 -1.88 0.64 0.00 -0.02 0.00 0.00 33.50 32.82 1v54 n PRO 108 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1v54 h HIS 109 N 0.32 0.00 0.00 6.00 2.07 -2.01 -2.77 115.15 118.76 1v54 h HIS 109 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1v54 h HIS 109 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1v54 h HIS 109 CO 0.33 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.44 1v54 n THR 110 N -2.41 0.52 1.09 6.12 -2.24 -1.26 -1.97 114.28 114.13 1v54 n THR 110 Ca -0.00 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1v54 n THR 110 Cb 0.12 -0.90 0.14 0.00 -2.10 0.00 0.00 70.33 67.59 1v54 n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1v54 n PHE 111 N -1.24 0.00 -1.74 4.78 3.01 -1.04 -4.26 117.46 116.97 1v54 n PHE 111 Ca 0.07 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.16 1v54 n PHE 111 Cb 0.10 -0.02 0.06 0.00 -0.01 0.00 0.00 39.48 39.61 1v54 n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1v54 n GLU 112 N 0.15 1.36 -0.27 -1.08 1.02 -0.83 -4.77 120.64 116.21 1v54 n GLU 112 Ca 0.12 0.52 -0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1v54 n GLU 112 Cb 0.46 -2.56 0.12 0.00 -0.02 0.00 0.00 31.44 29.45 1v54 n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1v54 h GLU 113 N 0.89 0.81 -0.31 3.49 4.81 -1.93 -0.97 114.58 121.38 1v54 h GLU 113 Ca -0.51 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.61 1v54 h GLU 113 Cb 1.33 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1v54 h GLU 113 CO 0.55 0.53 -0.03 1.49 -0.73 0.00 0.00 179.01 180.82 1v54 h GLU 114 N 0.83 0.57 -0.28 1.92 4.81 -1.96 -1.94 114.58 118.53 1v54 h GLU 114 Ca 0.34 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1v54 h GLU 114 Cb 0.19 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1v54 h GLU 114 CO -0.18 0.73 0.10 2.35 -0.73 0.00 0.00 179.01 181.27 1v54 h TRP 115 N 0.35 0.18 -0.95 0.92 2.91 -1.78 -1.80 115.95 115.77 1v54 h TRP 115 Ca 0.08 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.16 1v54 h TRP 115 Cb 0.49 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.05 1v54 h TRP 115 CO 0.04 0.08 0.62 0.28 -1.03 0.00 0.00 178.44 178.44 1v54 h VAL 116 N 0.22 1.14 -0.55 2.65 2.07 -1.12 0.15 116.25 120.81 1v54 h VAL 116 Ca 0.12 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1v54 h VAL 116 Cb 0.09 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 1v54 h VAL 116 CO -0.12 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.64 1v54 h ALA 117 N 1.45 0.88 -0.06 1.67 0.00 -0.83 -0.08 119.26 122.29 1v54 h ALA 117 Ca 0.39 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1v54 h ALA 117 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1v54 h ALA 117 CO -0.13 0.65 -0.11 0.87 0.00 0.00 0.00 179.25 180.53 1v54 h LYS 118 N 0.89 0.18 -0.90 0.00 1.57 -0.80 -2.20 116.57 115.32 1v54 h LYS 118 Ca 0.15 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1v54 h LYS 118 Cb 0.58 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1v54 h LYS 118 CO 0.03 0.69 0.59 0.37 -0.57 0.00 0.00 179.45 180.56 1v54 h GLN 119 N -0.30 1.00 -0.48 3.15 4.15 -0.68 0.38 115.11 122.32 1v54 h GLN 119 Ca 0.00 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 1v54 h GLN 119 Cb 0.68 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1v54 h GLN 119 CO 0.03 0.66 0.03 1.15 -1.93 0.00 0.00 178.83 178.77 1v54 h THR 120 N 1.03 1.26 -0.36 2.39 2.02 -0.96 0.37 112.91 118.65 1v54 h THR 120 Ca 0.39 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1v54 h THR 120 Cb 0.19 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1v54 h THR 120 CO -0.14 0.36 0.12 0.50 0.37 0.00 0.00 175.52 176.72 1v54 h LYS 121 N 0.70 0.56 -0.91 6.66 3.64 -0.55 -1.70 116.57 124.96 1v54 h LYS 121 Ca 0.14 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1v54 h LYS 121 Cb 0.47 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1v54 h LYS 121 CO 0.02 0.58 0.58 -0.09 -2.27 0.00 0.00 179.45 178.27 1v54 h ARG 122 N 0.44 1.05 -0.73 1.90 2.43 -0.71 0.30 114.38 119.06 1v54 h ARG 122 Ca 0.12 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1v54 h ARG 122 Cb 0.24 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1v54 h ARG 122 CO -0.00 0.69 0.29 0.52 -1.51 0.00 0.00 179.97 179.96 1v54 h MET 123 N 1.08 1.07 -0.04 0.20 2.86 -0.72 0.15 114.93 119.53 1v54 h MET 123 Ca 0.39 -0.18 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1v54 h MET 123 Cb 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1v54 h MET 123 CO -0.16 0.87 -0.54 -0.07 1.06 0.00 0.00 176.91 178.07 1v54 h LEU 124 N 1.05 0.13 -0.58 1.22 3.38 -0.23 -0.55 115.31 119.74 1v54 h LEU 124 Ca 0.24 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 1v54 h LEU 124 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1v54 h LEU 124 CO -0.02 0.65 -0.59 0.44 0.09 0.00 0.00 178.44 179.01 1v54 h ASP 125 N 0.09 0.45 -0.21 -0.43 3.45 0.35 -2.43 116.42 117.70 1v54 h ASP 125 Ca -0.00 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1v54 h ASP 125 Cb 0.99 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 1v54 h ASP 125 CO 0.08 0.93 0.00 1.15 -1.57 0.00 0.00 179.24 179.83 1v54 n MET 126 N -3.91 1.72 -3.72 3.56 0.00 -0.04 -4.95 117.12 109.78 1v54 n MET 126 Ca -0.03 -1.10 -0.22 0.00 0.00 0.00 0.00 57.70 56.35 1v54 n MET 126 Cb 0.62 -1.35 0.03 0.00 0.00 0.00 0.00 33.22 32.51 1v54 n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1v54 n LYS 127 N 0.34 -4.50 -1.79 3.17 5.02 -0.83 -4.92 118.16 114.65 1v54 n LYS 127 Ca 0.15 0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1v54 n LYS 127 Cb 0.31 -5.06 -0.03 0.00 -0.02 0.00 0.00 35.03 30.23 1v54 n LYS 127 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v54 s VAL 128 N -3.70 2.20 -0.92 -0.18 1.01 -0.27 -3.35 120.40 115.18 1v54 s VAL 128 Ca 0.03 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1v54 s VAL 128 Cb -0.01 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1v54 s VAL 128 CO 0.82 0.01 0.65 0.00 0.00 0.00 0.00 175.10 176.58 1v54 n ALA 129 N 3.97 -2.72 0.38 5.51 0.00 -1.26 -0.97 120.51 125.42 1v54 n ALA 129 Ca 0.15 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1v54 n ALA 129 Cb 0.36 -1.47 0.31 0.00 0.00 0.00 0.00 19.45 18.65 1v54 n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1v54 h PRO 130 N -0.79 0.00 0.22 0.00 0.13 -1.90 -0.71 132.00 128.94 1v54 h PRO 130 Ca -0.58 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.22 1v54 h PRO 130 Cb 1.35 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.51 1v54 h PRO 130 CO 0.40 0.00 -1.53 0.82 -0.23 0.00 0.00 178.00 177.46 1v54 h ILE 131 N 0.00 1.16 0.00 -3.56 5.03 -1.91 -3.30 117.51 114.92 1v54 h ILE 131 Ca 0.00 -2.60 0.00 0.00 -0.12 0.00 0.00 64.86 62.14 1v54 h ILE 131 Cb 0.84 2.94 0.00 0.00 -3.03 0.00 0.00 36.82 37.56 1v54 h ILE 131 CO 0.00 0.82 0.00 0.00 -0.68 0.00 0.00 178.15 178.29 1v54 n GLN 132 N -3.72 0.00 -0.07 2.37 6.02 -1.25 -4.86 117.38 115.87 1v54 n GLN 132 Ca -0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.69 1v54 n GLN 132 Cb 1.06 -0.24 -0.04 0.00 1.02 0.00 0.00 30.24 32.05 1v54 n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1v54 h GLY 133 N 0.00 0.39 0.00 1.08 0.00 -1.90 -3.43 103.07 99.21 1v54 h GLY 133 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1v54 h GLY 133 CO 0.00 0.20 0.00 0.33 0.00 0.00 0.00 176.54 177.07 1v54 n PHE 134 N -4.79 -0.29 0.19 5.60 7.35 -0.32 -4.86 117.46 120.35 1v54 n PHE 134 Ca -0.03 0.04 0.13 0.00 -0.76 0.00 0.00 57.45 56.83 1v54 n PHE 134 Cb 0.13 0.52 0.72 0.00 0.35 0.00 0.00 39.48 41.20 1v54 n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1v54 h SER 135 N 0.00 0.00 0.36 -2.13 0.02 -0.52 0.13 113.55 111.41 1v54 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1v54 h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1v54 h SER 135 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1v54 h ALA 136 N 1.90 1.00 -0.31 3.77 0.00 -1.61 -0.97 119.26 123.03 1v54 h ALA 136 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1v54 h ALA 136 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1v54 h ALA 136 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1v54 n LYS 137 N -2.81 2.13 -4.65 0.00 5.02 0.46 -4.85 118.16 113.46 1v54 n LYS 137 Ca -0.01 -1.71 -0.33 0.00 -2.02 0.00 0.00 58.31 54.23 1v54 n LYS 137 Cb 0.14 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 1v54 n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1v54 s TRP 138 N -1.60 2.89 -0.53 2.13 -0.11 -0.37 -1.28 118.94 120.08 1v54 s TRP 138 Ca 0.35 -0.19 -0.20 0.00 1.22 0.00 0.00 56.10 57.28 1v54 s TRP 138 Cb 0.20 -1.77 0.06 0.00 -1.50 0.00 0.00 33.47 30.46 1v54 s TRP 138 CO 0.28 0.13 0.71 0.34 -4.62 0.00 0.00 176.95 173.79 1v54 s ASP 139 N -0.35 6.24 0.51 5.86 -1.08 0.83 -4.76 116.67 123.92 1v54 s ASP 139 Ca 0.05 -0.87 0.29 0.00 -0.52 0.00 0.00 52.55 51.49 1v54 s ASP 139 Cb -0.12 -2.33 1.24 0.00 -1.46 0.00 0.00 42.92 40.25 1v54 s ASP 139 CO 0.02 -1.01 1.95 1.88 0.52 0.00 0.00 175.17 178.53 1v54 h TYR 140 N 9.11 0.00 0.00 -5.34 0.05 -1.92 -0.60 116.97 118.27 1v54 h TYR 140 Ca -0.28 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 1v54 h TYR 140 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1v54 h TYR 140 CO 0.80 0.11 -0.10 -0.44 -1.05 0.00 0.00 178.16 177.48 1v54 h ASP 141 N 0.00 0.00 0.09 3.88 3.45 -1.94 -3.34 116.42 118.56 1v54 h ASP 141 Ca -0.00 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1v54 h ASP 141 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1v54 h ASP 141 CO 0.01 0.78 -0.00 0.29 -1.57 0.00 0.00 179.24 178.75 1v54 n LYS 142 N -4.68 0.94 -3.78 3.56 5.02 -1.24 -4.93 118.16 113.05 1v54 n LYS 142 Ca -0.06 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.93 1v54 n LYS 142 Cb 0.25 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1v54 n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1v54 n ASN 143 N -0.98 -1.71 -3.84 4.39 4.05 -0.26 -4.99 115.26 111.92 1v54 n ASN 143 Ca 0.22 -0.92 -0.08 0.00 0.45 0.00 0.00 54.58 54.25 1v54 n ASN 143 Cb 0.14 -3.59 -0.03 0.00 1.23 0.00 0.00 39.78 37.54 1v54 n ASN 143 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1v54 s GLU 144 N -6.15 1.69 0.21 1.20 -1.05 -1.04 -5.01 118.70 108.55 1v54 s GLU 144 Ca 0.10 -0.99 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 1v54 s GLU 144 Cb -0.03 0.58 -0.09 0.00 -0.44 0.00 0.00 34.13 34.15 1v54 s GLU 144 CO 0.85 -0.76 1.35 -1.58 0.95 0.00 0.00 175.26 176.07 1v54 s TRP 145 N -3.92 3.19 0.22 4.83 0.52 -1.26 -0.12 118.94 122.41 1v54 s TRP 145 Ca 0.12 1.15 -0.32 0.00 0.02 0.00 0.00 56.10 57.07 1v54 s TRP 145 Cb -0.04 -3.67 -0.13 0.00 -1.15 0.00 0.00 33.47 28.48 1v54 s TRP 145 CO 0.05 -2.12 1.54 1.63 0.02 0.00 0.00 176.95 178.07 1v54 n LYS 146 N 2.64 2.29 0.00 4.98 5.02 -0.40 -4.74 118.16 127.95 1v54 n LYS 146 Ca 0.07 0.82 0.07 0.00 -2.02 0.00 0.00 58.31 57.25 1v54 n LYS 146 Cb 0.42 -2.56 0.43 0.00 -0.02 0.00 0.00 35.03 33.30 1v54 n LYS 146 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51