#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brs s LYS 2 N 0.00 2.66 -0.21 1.64 2.20 -1.26 0.01 119.74 124.78 1brs s LYS 2 Ca 0.00 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1brs s LYS 2 Cb 0.00 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 34.08 1brs s LYS 2 CO 0.00 0.37 -0.06 0.00 -0.36 0.00 0.00 175.35 175.30 1brs s ALA 3 N -0.13 2.77 -0.10 3.13 0.00 -0.21 -4.97 121.76 122.24 1brs s ALA 3 Ca -0.04 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1brs s ALA 3 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1brs s ALA 3 CO 0.04 -0.34 -0.12 0.08 0.00 0.00 0.00 175.76 175.42 1brs s VAL 4 N 1.32 3.19 -0.22 0.00 1.01 -1.26 -0.16 120.40 124.28 1brs s VAL 4 Ca 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1brs s VAL 4 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1brs s VAL 4 CO -0.03 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.88 1brs s ILE 5 N -0.13 2.61 -0.82 2.22 1.01 0.68 -4.98 121.20 121.80 1brs s ILE 5 Ca -0.01 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 1brs s ILE 5 Cb -0.13 -2.26 0.14 0.00 0.01 0.00 0.00 42.46 40.22 1brs s ILE 5 CO 0.03 0.32 0.95 0.20 0.00 0.00 0.00 174.94 176.44 1brs s ASN 6 N 1.31 6.55 0.47 3.58 -0.87 -1.26 -0.55 114.94 124.17 1brs s ASN 6 Ca 0.02 -2.03 0.26 0.00 -1.57 0.00 0.00 52.86 49.54 1brs s ASN 6 Cb -0.15 -2.33 1.31 0.00 -0.02 0.00 0.00 41.25 40.06 1brs s ASN 6 CO -0.07 -0.97 1.82 1.23 -2.57 0.00 0.00 177.10 176.53 1brs h GLY 7 N 9.72 0.56 2.00 0.66 0.00 -1.34 -0.87 103.07 113.80 1brs h GLY 7 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1brs h GLY 7 CO 1.02 -0.05 0.00 -1.84 0.00 0.00 0.00 176.54 175.67 1brs n GLU 8 N -4.41 0.05 0.00 4.80 0.00 -1.26 -2.66 120.64 117.16 1brs n GLU 8 Ca 0.23 0.23 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1brs n GLU 8 Cb 0.98 -1.58 0.23 0.00 0.00 0.00 0.00 31.44 31.07 1brs n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1brs n GLN 9 N -1.67 0.17 -2.87 3.44 6.02 -0.33 -4.88 117.38 117.26 1brs n GLN 9 Ca 0.04 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 1brs n GLN 9 Cb 0.23 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 1brs n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1brs s ILE 10 N -2.90 4.73 -0.64 5.09 -1.09 -1.09 -4.92 121.20 120.38 1brs s ILE 10 Ca 0.13 1.34 0.06 0.00 -2.23 0.00 0.00 60.65 59.95 1brs s ILE 10 Cb 0.18 -4.21 0.09 0.00 -1.58 0.00 0.00 42.46 36.93 1brs s ILE 10 CO 0.68 -0.29 0.84 0.54 -1.23 0.00 0.00 174.94 175.49 1brs n ARG 11 N 6.35 0.92 -3.61 2.79 1.74 -1.26 -4.68 116.66 118.91 1brs n ARG 11 Ca 0.06 -1.18 -0.07 0.00 -0.77 0.00 0.00 57.85 55.88 1brs n ARG 11 Cb 0.48 -1.12 -0.02 0.00 -1.02 0.00 0.00 32.46 30.78 1brs n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1brs s SER 12 N -0.67 -0.32 0.44 0.55 1.04 -1.25 -4.86 113.70 108.63 1brs s SER 12 Ca 0.09 -0.19 0.19 0.00 0.48 0.00 0.00 55.95 56.52 1brs s SER 12 Cb 0.05 0.48 1.04 0.00 0.10 0.00 0.00 66.02 67.70 1brs s SER 12 CO 0.08 -0.83 1.94 -0.29 0.98 0.00 0.00 173.24 175.12 1brs h ILE 13 N 2.00 0.92 -0.37 -1.02 6.09 -1.85 -2.19 117.51 121.09 1brs h ILE 13 Ca -0.24 -0.90 -0.04 0.00 -1.37 0.00 0.00 64.86 62.31 1brs h ILE 13 Cb 1.25 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 40.04 1brs h ILE 13 CO 0.29 0.23 0.07 -1.28 -3.07 0.00 0.00 178.15 174.40 1brs h SER 14 N 0.00 0.58 -1.00 2.19 0.87 -1.95 -2.04 113.55 112.21 1brs h SER 14 Ca -0.00 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1brs h SER 14 Cb 0.50 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 1brs h SER 14 CO 0.03 0.68 0.66 0.44 -0.53 0.00 0.00 176.83 178.11 1brs h ASP 15 N 0.46 1.11 0.11 6.23 3.32 -1.78 -1.38 116.42 124.49 1brs h ASP 15 Ca 0.12 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1brs h ASP 15 Cb 0.34 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1brs h ASP 15 CO 0.00 0.78 -0.05 0.25 -1.72 0.00 0.00 179.24 178.50 1brs h LEU 16 N 1.30 -0.12 -1.04 1.55 5.85 -1.29 -0.11 115.31 121.45 1brs h LEU 16 Ca 0.39 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1brs h LEU 16 Cb -0.06 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1brs h LEU 16 CO -0.11 0.11 0.51 0.45 -0.34 0.00 0.00 178.44 179.06 1brs h HIS 17 N -0.36 1.13 -0.57 1.25 3.86 -1.28 -0.55 115.15 118.63 1brs h HIS 17 Ca -0.01 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1brs h HIS 17 Cb 0.30 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1brs h HIS 17 CO -0.00 0.76 0.05 1.96 0.86 0.00 0.00 177.93 181.56 1brs h GLN 18 N 1.18 0.95 -0.30 2.45 1.08 -1.17 0.14 115.11 119.44 1brs h GLN 18 Ca 0.31 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1brs h GLN 18 Cb -0.04 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1brs h GLN 18 CO -0.06 0.91 -0.13 1.15 -0.95 0.00 0.00 178.83 179.75 1brs h THR 19 N 0.89 1.29 -0.23 -0.54 2.02 -0.59 -2.79 112.91 112.95 1brs h THR 19 Ca 0.17 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1brs h THR 19 Cb 0.45 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1brs h THR 19 CO 0.02 0.39 0.14 -0.07 0.37 0.00 0.00 175.52 176.37 1brs h LEU 20 N 0.38 0.28 -0.54 2.58 3.38 -0.90 0.23 115.31 120.71 1brs h LEU 20 Ca 0.07 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1brs h LEU 20 Cb 0.65 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1brs h LEU 20 CO 0.04 0.24 -0.15 0.50 0.09 0.00 0.00 178.44 179.17 1brs h LYS 21 N 0.29 -0.01 0.10 1.13 3.64 -0.73 0.24 116.57 121.24 1brs h LYS 21 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1brs h LYS 21 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1brs h LYS 21 CO -0.02 -0.01 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.89 1brs h LYS 22 N -0.01 -0.14 -0.01 1.90 1.63 -1.20 -1.06 116.57 117.68 1brs h LYS 22 Ca 0.26 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1brs h LYS 22 Cb 0.41 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1brs h LYS 22 CO -0.56 0.30 -0.17 0.93 -3.45 0.00 0.00 179.45 176.50 1brs h GLU 23 N -0.64 0.01 -0.03 1.90 4.39 -0.36 -2.50 114.58 117.36 1brs h GLU 23 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1brs h GLU 23 Cb 0.50 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1brs h GLU 23 CO 0.02 0.18 -0.05 1.28 -1.16 0.00 0.00 179.01 179.29 1brs n LEU 24 N -4.33 2.90 -3.61 1.33 4.77 0.82 -4.65 117.00 114.23 1brs n LEU 24 Ca -0.02 -0.98 -0.24 0.00 -0.03 0.00 0.00 56.01 54.74 1brs n LEU 24 Cb 0.24 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1brs n LEU 24 CO 0.36 0.49 0.22 0.00 -1.33 0.00 0.00 177.39 177.13 1brs n ALA 25 N 1.21 -1.38 -0.97 -1.18 0.00 -0.70 -4.92 120.51 112.57 1brs n ALA 25 Ca 0.13 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 1brs n ALA 25 Cb 0.59 -5.13 0.19 0.00 0.00 0.00 0.00 19.45 15.10 1brs n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1brs s LEU 26 N -7.22 1.60 0.60 0.00 1.43 -0.49 -4.96 118.68 109.64 1brs s LEU 26 Ca 0.53 1.41 -0.19 0.00 -1.03 0.00 0.00 54.13 54.85 1brs s LEU 26 Cb -0.24 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 1brs s LEU 26 CO 0.74 -3.34 1.29 -2.16 0.23 0.00 0.00 176.35 173.11 1brs s PRO 27 N -4.79 2.83 0.47 1.29 0.04 -1.26 -4.90 135.00 128.68 1brs s PRO 27 Ca 0.66 2.06 0.16 0.00 0.04 0.00 0.00 61.00 63.92 1brs s PRO 27 Cb -0.21 -1.99 1.13 0.00 0.04 0.00 0.00 34.50 33.48 1brs s PRO 27 CO 0.59 -1.38 2.02 1.05 0.04 0.00 0.00 177.00 179.32 1brs h GLU 28 N 0.91 0.26 -0.07 4.56 9.09 -1.99 0.25 114.58 127.59 1brs h GLU 28 Ca -0.51 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1brs h GLU 28 Cb 1.32 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1brs h GLU 28 CO 0.55 0.17 0.00 2.48 0.05 0.00 0.00 179.01 182.26 1brs n TYR 29 N -4.46 0.08 -1.27 2.06 0.18 -1.26 -4.96 117.16 107.52 1brs n TYR 29 Ca 0.07 -0.04 -0.50 0.00 1.88 0.00 0.00 57.90 59.31 1brs n TYR 29 Cb 0.34 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.23 1brs n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1brs n TYR 30 N -0.25 0.89 0.78 -3.48 9.36 0.89 -4.81 117.16 120.54 1brs n TYR 30 Ca 0.17 0.87 0.08 0.00 3.32 0.00 0.00 57.90 62.34 1brs n TYR 30 Cb 0.21 -1.70 0.42 0.00 -0.63 0.00 0.00 39.34 37.64 1brs n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1brs n GLY 31 N 2.04 -0.83 3.94 2.98 0.00 -1.26 -4.92 105.19 107.14 1brs n GLY 31 Ca 0.20 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1brs n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1brs n GLU 32 N -1.29 -3.00 -3.94 1.61 1.02 -1.26 -4.95 120.64 108.83 1brs n GLU 32 Ca 0.08 0.39 -0.09 0.00 -0.02 0.00 0.00 57.16 57.53 1brs n GLU 32 Cb 0.13 -4.43 -0.04 0.00 -0.02 0.00 0.00 31.44 27.08 1brs n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1brs s ASN 33 N -4.29 -0.15 0.15 1.62 2.20 -1.26 -5.01 114.94 108.20 1brs s ASN 33 Ca 0.05 -0.81 -0.15 0.00 -0.94 0.00 0.00 52.86 51.00 1brs s ASN 33 Cb -0.02 0.62 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 1brs s ASN 33 CO 0.89 -1.19 1.75 -0.07 -2.94 0.00 0.00 177.10 175.54 1brs h LEU 34 N 2.19 0.55 -0.56 3.54 3.38 -1.98 0.18 115.31 122.61 1brs h LEU 34 Ca -0.24 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1brs h LEU 34 Cb 1.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1brs h LEU 34 CO 0.32 0.50 0.20 0.44 0.09 0.00 0.00 178.44 179.99 1brs h ASP 35 N 0.57 0.78 -0.01 -0.43 3.32 -1.98 0.15 116.42 118.82 1brs h ASP 35 Ca 0.15 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1brs h ASP 35 Cb 0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1brs h ASP 35 CO -0.02 0.76 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 1brs h ALA 36 N 1.06 0.01 -0.89 3.45 0.00 -1.88 -1.63 119.26 119.38 1brs h ALA 36 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1brs h ALA 36 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1brs h ALA 36 CO -0.01 -0.49 0.57 1.25 0.00 0.00 0.00 179.25 180.57 1brs h LEU 37 N -0.01 1.04 -1.17 0.00 5.85 -0.31 -2.12 115.31 118.60 1brs h LEU 37 Ca 0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1brs h LEU 37 Cb 0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1brs h LEU 37 CO -0.00 0.77 0.10 -0.25 -0.34 0.00 0.00 178.44 178.72 1brs h TRP 38 N 1.22 0.70 -0.56 1.25 2.91 -0.38 -1.72 115.95 119.36 1brs h TRP 38 Ca 0.32 -0.06 -0.10 0.00 1.13 0.00 0.00 58.89 60.19 1brs h TRP 38 Cb -0.11 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.32 1brs h TRP 38 CO -0.01 0.60 -0.05 0.22 -1.03 0.00 0.00 178.44 178.18 1brs h ASP 39 N 0.66 1.00 -0.08 2.65 3.58 -0.84 -1.38 116.42 122.02 1brs h ASP 39 Ca 0.15 -0.30 -0.14 0.00 0.42 0.00 0.00 57.03 57.16 1brs h ASP 39 Cb 0.26 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1brs h ASP 39 CO -0.00 1.08 -0.41 0.00 -2.88 0.00 0.00 179.24 177.03 1brs h ALA 40 N 1.01 0.80 -0.27 -0.78 0.00 -1.10 0.47 119.26 119.40 1brs h ALA 40 Ca 0.16 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1brs h ALA 40 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1brs h ALA 40 CO 0.04 0.65 -0.54 -0.07 0.00 0.00 0.00 179.25 179.33 1brs h LEU 41 N 0.50 0.94 -0.61 0.00 3.38 -1.21 0.58 115.31 118.88 1brs h LEU 41 Ca 0.04 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1brs h LEU 41 Cb 0.93 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1brs h LEU 41 CO 0.08 1.31 -0.43 0.35 0.09 0.00 0.00 178.44 179.85 1brs n THR 42 N -4.04 0.00 -2.52 0.22 -2.24 -0.53 -4.47 114.28 100.71 1brs n THR 42 Ca -0.05 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1brs n THR 42 Cb 0.63 0.78 0.06 0.00 -2.10 0.00 0.00 70.33 69.69 1brs n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1brs n GLY 43 N 1.40 1.56 1.95 3.38 0.00 0.16 -4.99 105.19 108.65 1brs n GLY 43 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1brs n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1brs n TRP 44 N -0.89 -2.72 -2.19 1.61 -0.00 -0.59 -4.81 117.44 107.85 1brs n TRP 44 Ca -0.15 0.22 -0.33 0.00 -0.00 0.00 0.00 57.50 57.24 1brs n TRP 44 Cb 0.84 0.96 -0.00 0.00 -0.00 0.00 0.00 31.31 33.11 1brs n TRP 44 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1brs s VAL 45 N -2.00 3.76 0.06 5.87 -7.23 0.19 -5.02 120.40 116.03 1brs s VAL 45 Ca 0.00 0.92 -0.15 0.00 -1.81 0.00 0.00 61.98 60.94 1brs s VAL 45 Cb 0.00 -3.39 -0.06 0.00 0.56 0.00 0.00 36.38 33.49 1brs s VAL 45 CO 0.00 -0.41 0.48 -1.83 -0.31 0.00 0.00 175.10 173.03 1brs s GLU 46 N -3.80 3.99 0.25 4.82 1.03 -1.26 -4.94 118.70 118.78 1brs s GLU 46 Ca 0.65 0.49 0.10 0.00 0.03 0.00 0.00 54.97 56.25 1brs s GLU 46 Cb -0.17 -3.15 -0.05 0.00 -0.80 0.00 0.00 34.13 29.97 1brs s GLU 46 CO 0.32 0.62 -0.18 0.71 -1.33 0.00 0.00 175.26 175.40 1brs s TYR 47 N -1.20 2.08 0.68 4.83 2.02 -1.26 -4.40 117.35 120.10 1brs s TYR 47 Ca 0.29 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.45 1brs s TYR 47 Cb -0.17 -0.92 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 1brs s TYR 47 CO 0.17 0.58 1.06 -1.25 -1.57 0.00 0.00 175.55 174.53 1brs s PRO 48 N -3.51 2.97 -0.02 -1.71 0.04 -1.26 -5.06 135.00 126.45 1brs s PRO 48 Ca 0.27 1.04 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1brs s PRO 48 Cb -0.04 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1brs s PRO 48 CO 0.12 -1.08 -0.18 -1.17 0.04 0.00 0.00 177.00 174.73 1brs s LEU 49 N -5.32 1.99 -0.24 -3.56 2.96 -0.49 -3.94 118.68 110.09 1brs s LEU 49 Ca 0.60 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1brs s LEU 49 Cb -0.15 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.62 1brs s LEU 49 CO 0.50 0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.99 1brs s VAL 50 N -0.27 3.03 -0.35 1.68 1.01 0.10 -0.79 120.40 124.82 1brs s VAL 50 Ca 0.03 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1brs s VAL 50 Cb -0.08 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1brs s VAL 50 CO 0.00 0.29 0.16 -0.22 0.00 0.00 0.00 175.10 175.34 1brs s LEU 51 N 1.38 4.46 -0.32 3.92 2.96 0.67 -1.05 118.68 130.70 1brs s LEU 51 Ca 0.03 -0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 52.92 1brs s LEU 51 Cb -0.16 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1brs s LEU 51 CO -0.04 -0.33 0.11 -0.70 -1.32 0.00 0.00 176.35 174.07 1brs s GLU 52 N 1.52 2.89 -0.39 1.98 2.12 0.77 -0.64 118.70 126.96 1brs s GLU 52 Ca 0.01 -1.00 -0.06 0.00 0.36 0.00 0.00 54.97 54.28 1brs s GLU 52 Cb -0.19 -3.47 0.07 0.00 0.26 0.00 0.00 34.13 30.80 1brs s GLU 52 CO 0.05 -0.56 0.19 -0.46 -0.54 0.00 0.00 175.26 173.94 1brs s TRP 53 N 1.48 3.37 0.30 5.30 -0.11 0.17 -0.23 118.94 129.22 1brs s TRP 53 Ca 0.01 -1.74 -0.03 0.00 1.22 0.00 0.00 56.10 55.56 1brs s TRP 53 Cb -0.18 -2.79 -0.05 0.00 -1.50 0.00 0.00 33.47 28.95 1brs s TRP 53 CO 0.03 -0.85 0.55 1.03 -4.62 0.00 0.00 176.95 173.09 1brs s ARG 54 N 1.34 3.59 -1.40 5.86 0.52 0.29 -1.44 118.95 127.70 1brs s ARG 54 Ca 0.02 -0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 55.14 1brs s ARG 54 Cb -0.22 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1brs s ARG 54 CO 0.00 0.20 0.45 1.04 0.02 0.00 0.00 175.30 177.01 1brs n GLN 55 N -1.14 -3.45 -0.15 3.54 1.13 -1.26 -1.18 117.38 114.86 1brs n GLN 55 Ca -0.02 0.42 -0.03 0.00 -1.94 0.00 0.00 57.00 55.43 1brs n GLN 55 Cb 0.54 -4.60 0.06 0.00 0.11 0.00 0.00 30.24 26.35 1brs n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1brs h PHE 56 N -1.83 0.13 -0.43 1.08 3.57 -1.92 -2.83 116.94 114.71 1brs h PHE 56 Ca -0.63 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 60.87 1brs h PHE 56 Cb 1.37 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1brs h PHE 56 CO 0.49 -0.02 0.14 0.93 -2.23 0.00 0.00 178.31 177.62 1brs h GLU 57 N 0.21 0.62 -0.29 1.11 4.39 -1.96 -2.61 114.58 116.06 1brs h GLU 57 Ca 0.24 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1brs h GLU 57 Cb 0.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1brs h GLU 57 CO -0.32 0.54 0.17 1.96 -1.16 0.00 0.00 179.01 180.19 1brs h GLN 58 N 0.61 0.40 -0.55 2.33 4.20 -1.80 -2.68 115.11 117.62 1brs h GLN 58 Ca 0.15 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.92 1brs h GLN 58 Cb 0.17 -0.08 -0.11 0.00 0.30 0.00 0.00 27.48 27.76 1brs h GLN 58 CO -0.01 0.33 -0.23 1.03 -0.67 0.00 0.00 178.83 179.28 1brs h SER 59 N 0.36 -0.79 -0.68 1.46 0.87 -1.30 -2.56 113.55 110.92 1brs h SER 59 Ca 0.10 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1brs h SER 59 Cb 0.04 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1brs h SER 59 CO -0.02 -0.25 0.26 0.50 -0.53 0.00 0.00 176.83 176.79 1brs h LYS 60 N -0.09 1.04 -0.44 2.24 3.64 -1.34 -2.30 116.57 119.31 1brs h LYS 60 Ca 0.25 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1brs h LYS 60 Cb 0.49 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1brs h LYS 60 CO -0.61 0.86 0.29 1.96 -2.27 0.00 0.00 179.45 179.68 1brs h GLN 61 N 1.02 0.57 -0.01 1.90 4.20 -1.12 -2.34 115.11 119.32 1brs h GLN 61 Ca 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1brs h GLN 61 Cb 0.23 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1brs h GLN 61 CO -0.02 0.38 -0.34 1.28 -0.67 0.00 0.00 178.83 179.46 1brs n LEU 62 N -4.79 1.28 -0.42 1.46 4.77 -1.06 -4.12 117.00 114.12 1brs n LEU 62 Ca 0.02 -0.39 0.06 0.00 -0.03 0.00 0.00 56.01 55.67 1brs n LEU 62 Cb 0.03 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1brs n LEU 62 CO 0.34 0.24 0.35 0.35 -1.33 0.00 0.00 177.39 177.35 1brs n THR 63 N -0.53 0.00 -3.34 -5.08 -2.24 -0.88 -3.95 114.28 98.26 1brs n THR 63 Ca 0.11 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1brs n THR 63 Cb 0.38 1.22 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1brs n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1brs n GLU 64 N 0.30 -1.61 -0.17 -0.78 0.00 -0.90 -1.88 120.64 115.59 1brs n GLU 64 Ca 0.07 0.97 0.00 0.00 0.00 0.00 0.00 57.16 58.20 1brs n GLU 64 Cb 0.30 -5.05 0.00 0.00 0.00 0.00 0.00 31.44 26.69 1brs n GLU 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1brs n ASN 65 N -2.54 0.00 0.15 -1.84 0.23 -1.13 -4.81 115.26 105.31 1brs n ASN 65 Ca -0.08 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.00 1brs n ASN 65 Cb 0.58 -0.55 0.38 0.00 -2.08 0.00 0.00 39.78 38.12 1brs n ASN 65 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1brs h GLY 66 N 0.00 0.15 1.20 4.83 0.00 -1.67 -2.90 103.07 104.68 1brs h GLY 66 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1brs h GLY 66 CO 0.00 0.10 0.37 0.00 0.00 0.00 0.00 176.54 177.01 1brs h ALA 67 N 1.64 1.26 -0.18 3.60 0.00 -1.85 -2.54 119.26 121.20 1brs h ALA 67 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1brs h ALA 67 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1brs h ALA 67 CO 0.03 0.58 0.04 1.49 0.00 0.00 0.00 179.25 181.39 1brs h GLU 68 N 1.04 0.29 -0.54 0.00 4.57 -1.92 -0.12 114.58 117.91 1brs h GLU 68 Ca 0.26 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.46 1brs h GLU 68 Cb 0.08 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 1brs h GLU 68 CO -0.04 0.43 0.15 0.77 -1.18 0.00 0.00 179.01 179.14 1brs h SER 69 N 0.09 0.09 0.08 1.04 0.02 -1.46 0.26 113.55 113.67 1brs h SER 69 Ca 0.05 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1brs h SER 69 Cb 0.28 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1brs h SER 69 CO 0.00 0.07 -0.04 0.58 -1.14 0.00 0.00 176.83 176.30 1brs h VAL 70 N 0.30 1.08 -0.72 2.27 2.07 -1.41 -1.93 116.25 117.90 1brs h VAL 70 Ca 0.27 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1brs h VAL 70 Cb 0.35 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1brs h VAL 70 CO -0.32 0.14 0.37 0.25 0.02 0.00 0.00 177.57 178.04 1brs h LEU 71 N -0.36 0.50 -1.89 2.57 5.85 -0.19 -2.18 115.31 119.61 1brs h LEU 71 Ca -0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1brs h LEU 71 Cb 0.31 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1brs h LEU 71 CO 0.02 0.29 0.04 -0.61 -0.34 0.00 0.00 178.44 177.84 1brs h GLN 72 N 0.64 0.11 -0.26 1.25 4.15 -0.23 -1.80 115.11 118.96 1brs h GLN 72 Ca 0.35 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.58 1brs h GLN 72 Cb 0.35 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1brs h GLN 72 CO -0.26 0.09 -0.56 0.28 -1.93 0.00 0.00 178.83 176.45 1brs h VAL 73 N 0.11 1.28 -0.31 2.39 2.07 -0.71 -1.69 116.25 119.38 1brs h VAL 73 Ca 0.03 -1.75 -0.07 0.00 0.82 0.00 0.00 66.70 65.73 1brs h VAL 73 Cb 0.01 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1brs h VAL 73 CO -0.00 0.57 -0.12 -0.26 0.02 0.00 0.00 177.57 177.77 1brs h PHE 74 N 0.60 0.58 -0.30 1.57 -1.00 -1.15 -2.29 116.94 114.95 1brs h PHE 74 Ca 0.00 -0.09 -0.14 0.00 2.81 0.00 0.00 57.97 60.55 1brs h PHE 74 Cb 1.17 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 1brs h PHE 74 CO 0.08 0.64 -0.39 0.00 -1.61 0.00 0.00 178.31 177.02 1brs h ARG 75 N 0.50 0.71 -0.23 1.51 2.47 -1.13 -2.69 114.38 115.52 1brs h ARG 75 Ca 0.09 -0.37 -0.16 0.00 -1.26 0.00 0.00 59.98 58.28 1brs h ARG 75 Cb 0.50 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1brs h ARG 75 CO 0.03 0.98 -0.52 0.93 0.56 0.00 0.00 179.97 181.95 1brs h GLU 76 N 0.58 0.64 -0.95 0.04 5.08 -1.00 -0.50 114.58 118.48 1brs h GLU 76 Ca 0.05 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1brs h GLU 76 Cb 0.93 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1brs h GLU 76 CO 0.08 1.00 0.59 0.00 -1.00 0.00 0.00 179.01 179.68 1brs h ALA 77 N 0.93 1.26 0.16 3.43 0.00 -1.43 -1.14 119.26 122.47 1brs h ALA 77 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1brs h ALA 77 Cb 1.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1brs h ALA 77 CO 0.10 0.65 -0.08 -0.22 0.00 0.00 0.00 179.25 179.71 1brs h LYS 78 N 1.30 -0.21 -0.69 0.00 3.64 -1.25 0.23 116.57 119.59 1brs h LYS 78 Ca 0.34 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.87 1brs h LYS 78 Cb -0.09 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.69 1brs h LYS 78 CO -0.07 0.01 0.22 0.00 -2.27 0.00 0.00 179.45 177.34 1brs h ALA 79 N 0.40 0.91 0.00 5.00 0.00 -0.69 0.36 119.26 125.24 1brs h ALA 79 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1brs h ALA 79 Cb 0.32 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1brs h ALA 79 CO 0.04 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.41 1brs n GLU 80 N -5.07 0.55 0.00 0.00 1.02 -0.47 -4.84 120.64 111.83 1brs n GLU 80 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1brs n GLU 80 Cb 0.38 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1brs n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brs n GLY 81 N 0.05 0.20 3.76 0.62 0.00 0.13 -5.05 105.19 104.91 1brs n GLY 81 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1brs n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1brs s ALA 82 N -2.00 3.09 -1.25 4.61 0.00 0.79 -4.87 121.76 122.13 1brs s ALA 82 Ca 0.00 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1brs s ALA 82 Cb 0.00 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.74 1brs s ALA 82 CO 0.00 -1.03 1.57 -3.47 0.00 0.00 0.00 175.76 172.83 1brs n ASP 83 N -0.35 5.11 -4.34 0.00 2.03 -1.26 -4.46 116.55 113.27 1brs n ASP 83 Ca 0.06 -2.96 -0.34 0.00 0.52 0.00 0.00 54.79 52.08 1brs n ASP 83 Cb 0.44 -1.64 -0.14 0.00 -0.72 0.00 0.00 41.12 39.06 1brs n ASP 83 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1brs s ILE 84 N 2.53 3.14 -0.23 5.18 1.01 -1.26 -1.39 121.20 130.17 1brs s ILE 84 Ca 0.47 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 1brs s ILE 84 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1brs s ILE 84 CO 0.03 0.49 0.08 -0.89 0.00 0.00 0.00 174.94 174.66 1brs s THR 85 N 0.75 4.58 -0.19 2.92 2.01 0.03 -5.00 115.64 120.74 1brs s THR 85 Ca -0.04 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1brs s THR 85 Cb -0.15 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1brs s THR 85 CO 0.01 0.36 0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1brs s ILE 86 N 1.26 4.47 -0.21 1.82 1.01 -1.26 -0.24 121.20 128.04 1brs s ILE 86 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1brs s ILE 86 Cb -0.14 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1brs s ILE 86 CO 0.04 0.43 -0.14 -0.63 0.00 0.00 0.00 174.94 174.65 1brs s ILE 87 N 0.70 2.39 -0.46 2.92 1.01 0.19 -4.99 121.20 122.95 1brs s ILE 87 Ca 0.02 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1brs s ILE 87 Cb -0.14 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.29 1brs s ILE 87 CO 0.02 0.35 0.35 -0.76 0.00 0.00 0.00 174.94 174.90 1brs s LEU 88 N 1.28 5.57 0.00 2.97 1.43 -1.26 -0.65 118.68 128.01 1brs s LEU 88 Ca 0.01 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 1brs s LEU 88 Cb -0.15 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1brs s LEU 88 CO -0.09 -0.65 0.44 -1.54 0.23 0.00 0.00 176.35 174.74