#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bta s LYS 2 N 0.00 0.76 0.09 1.64 2.20 -1.26 -0.13 119.74 123.04 1bta s LYS 2 Ca 0.00 -1.05 0.03 0.00 -0.36 0.00 0.00 55.97 54.59 1bta s LYS 2 Cb 0.00 -0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 35.81 1bta s LYS 2 CO 0.00 0.08 -0.08 0.00 -0.36 0.00 0.00 175.35 174.99 1bta s ALA 3 N -2.14 1.00 -0.11 3.13 0.00 0.15 -4.75 121.76 119.04 1bta s ALA 3 Ca 0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 1bta s ALA 3 Cb -0.05 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.23 1bta s ALA 3 CO -0.00 -0.14 0.19 0.08 0.00 0.00 0.00 175.76 175.90 1bta s VAL 4 N -2.95 -0.31 -0.74 0.00 1.01 -1.26 -1.15 120.40 114.99 1bta s VAL 4 Ca 0.07 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1bta s VAL 4 Cb 0.01 -0.39 0.19 0.00 0.00 0.00 0.00 36.38 36.19 1bta s VAL 4 CO -0.02 0.09 0.69 -0.63 0.00 0.00 0.00 175.10 175.22 1bta s ILE 5 N 2.33 5.48 -0.60 2.22 1.01 -0.57 -4.86 121.20 126.20 1bta s ILE 5 Ca 0.03 -2.19 -0.26 0.00 0.00 0.00 0.00 60.65 58.23 1bta s ILE 5 Cb -0.13 -4.42 0.04 0.00 0.01 0.00 0.00 42.46 37.96 1bta s ILE 5 CO -0.07 -0.98 1.08 0.20 0.00 0.00 0.00 174.94 175.17 1bta s ASN 6 N 2.57 6.32 0.14 3.58 0.01 -1.26 -0.68 114.94 125.62 1bta s ASN 6 Ca 0.14 -0.30 -0.14 0.00 -0.71 0.00 0.00 52.86 51.85 1bta s ASN 6 Cb -0.16 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1bta s ASN 6 CO -0.05 -1.44 1.64 1.23 -1.51 0.00 0.00 177.10 176.97 1bta h GLY 7 N 11.66 0.83 -0.47 0.66 0.00 -1.72 -2.04 103.07 112.00 1bta h GLY 7 Ca -0.26 -0.53 0.27 0.00 0.00 0.00 0.00 47.33 46.80 1bta h GLY 7 CO 1.16 0.49 0.98 0.83 0.00 0.00 0.00 176.54 180.00 1bta h GLU 8 N 0.65 0.00 0.02 4.80 5.08 -1.89 0.60 114.58 123.84 1bta h GLU 8 Ca 0.15 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.15 1bta h GLU 8 Cb 0.35 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1bta h GLU 8 CO 0.00 0.00 -2.00 1.04 -1.00 0.00 0.00 179.01 177.06 1bta n GLN 9 N -3.48 0.61 -1.48 2.33 1.13 -0.83 -4.94 117.38 110.73 1bta n GLN 9 Ca 0.20 0.36 -0.54 0.00 -1.94 0.00 0.00 57.00 55.08 1bta n GLN 9 Cb 1.27 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 29.94 1bta n GLN 9 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1bta n ILE 10 N -4.07 0.75 0.03 5.09 2.08 0.20 -4.84 119.36 118.60 1bta n ILE 10 Ca -0.42 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1bta n ILE 10 Cb 0.85 -0.13 -0.01 0.00 -0.75 0.00 0.00 39.64 39.61 1bta n ILE 10 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1bta n ARG 11 N 1.40 5.48 -3.84 0.38 5.12 -1.26 -4.97 116.66 118.98 1bta n ARG 11 Ca 0.19 -0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.11 1bta n ARG 11 Cb 0.16 -0.63 0.01 0.00 -1.16 0.00 0.00 32.46 30.83 1bta n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1bta s SER 12 N -1.27 -0.02 0.19 0.55 1.04 -1.26 -4.86 113.70 108.06 1bta s SER 12 Ca 0.00 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1bta s SER 12 Cb 0.01 0.24 0.16 0.00 0.10 0.00 0.00 66.02 66.52 1bta s SER 12 CO 0.04 -0.46 1.78 -0.29 0.98 0.00 0.00 173.24 175.29 1bta h ILE 13 N 2.00 0.92 -0.71 -1.02 6.09 -1.87 -0.25 117.51 122.66 1bta h ILE 13 Ca -0.26 -0.17 0.14 0.00 -1.37 0.00 0.00 64.86 63.21 1bta h ILE 13 Cb 1.20 0.40 -0.10 0.00 0.47 0.00 0.00 36.82 38.79 1bta h ILE 13 CO 0.31 0.09 0.22 -1.28 -3.07 0.00 0.00 178.15 174.42 1bta h SER 14 N 0.48 0.13 -0.71 2.19 0.87 -1.95 0.34 113.55 114.90 1bta h SER 14 Ca 0.24 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.96 1bta h SER 14 Cb 0.18 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1bta h SER 14 CO -0.18 0.03 0.43 -0.78 -0.53 0.00 0.00 176.83 175.80 1bta h ASP 15 N 0.34 0.68 0.26 6.23 3.58 -1.46 0.31 116.42 126.37 1bta h ASP 15 Ca 0.39 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.86 1bta h ASP 15 Cb 0.62 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1bta h ASP 15 CO -0.44 0.46 -0.35 0.25 -2.88 0.00 0.00 179.24 176.28 1bta h LEU 16 N 0.82 -0.99 -1.99 2.28 5.85 0.62 0.13 115.31 122.04 1bta h LEU 16 Ca 0.30 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1bta h LEU 16 Cb 0.08 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1bta h LEU 16 CO -0.14 -0.47 0.00 0.45 -0.34 0.00 0.00 178.44 177.94 1bta h HIS 17 N -0.67 0.00 0.26 1.25 3.86 -0.78 -1.55 115.15 117.51 1bta h HIS 17 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1bta h HIS 17 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1bta h HIS 17 CO -0.25 0.00 -0.12 0.37 0.86 0.00 0.00 177.93 178.79 1bta h GLN 18 N 0.00 -0.33 -0.59 2.45 4.15 0.23 0.80 115.11 121.81 1bta h GLN 18 Ca 0.00 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1bta h GLN 18 Cb 0.21 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1bta h GLN 18 CO 0.00 0.03 0.09 1.15 -1.93 0.00 0.00 178.83 178.17 1bta h THR 19 N -0.86 1.26 -0.63 2.39 2.02 -0.94 -0.90 112.91 115.25 1bta h THR 19 Ca -0.04 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.18 1bta h THR 19 Cb 0.51 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1bta h THR 19 CO 0.06 0.37 0.41 -0.07 0.37 0.00 0.00 175.52 176.66 1bta h LEU 20 N 0.88 0.65 -0.45 2.58 3.38 -1.31 -0.24 115.31 120.80 1bta h LEU 20 Ca 0.18 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1bta h LEU 20 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1bta h LEU 20 CO 0.01 0.45 -0.06 0.50 0.09 0.00 0.00 178.44 179.43 1bta h LYS 21 N 0.75 0.83 0.48 1.13 3.64 0.15 0.17 116.57 123.73 1bta h LYS 21 Ca 0.25 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1bta h LYS 21 Cb 0.06 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bta h LYS 21 CO -0.07 0.92 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.58 1bta h LYS 22 N 0.67 -0.62 0.09 1.90 3.64 -0.08 1.18 116.57 123.35 1bta h LYS 22 Ca 0.12 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1bta h LYS 22 Cb 0.58 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1bta h LYS 22 CO 0.03 -0.32 -0.21 0.93 -2.27 0.00 0.00 179.45 177.62 1bta h GLU 23 N -1.01 -0.32 0.00 1.90 4.39 -1.12 0.74 114.58 119.16 1bta h GLU 23 Ca -0.07 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1bta h GLU 23 Cb 0.59 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1bta h GLU 23 CO 0.11 -0.21 0.00 1.28 -1.16 0.00 0.00 179.01 179.03 1bta n LEU 24 N -3.61 0.58 -3.70 1.33 4.77 0.59 -4.84 117.00 112.13 1bta n LEU 24 Ca -0.04 0.75 -0.23 0.00 -0.03 0.00 0.00 56.01 56.47 1bta n LEU 24 Cb 0.17 -0.81 0.04 0.00 -2.33 0.00 0.00 43.42 40.49 1bta n LEU 24 CO 0.07 -0.91 0.01 0.00 -1.33 0.00 0.00 177.39 175.23 1bta n ALA 25 N -1.78 -1.84 -1.23 -1.18 0.00 0.38 -4.75 120.51 110.12 1bta n ALA 25 Ca -0.01 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1bta n ALA 25 Cb 0.06 -2.68 0.10 0.00 0.00 0.00 0.00 19.45 16.93 1bta n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bta s LEU 26 N -6.78 2.85 0.00 0.00 1.43 0.10 -4.99 118.68 111.29 1bta s LEU 26 Ca 0.16 1.76 -0.21 0.00 -1.03 0.00 0.00 54.13 54.81 1bta s LEU 26 Cb -0.08 -4.39 0.33 0.00 0.03 0.00 0.00 46.19 42.08 1bta s LEU 26 CO 0.80 -2.20 0.74 -2.65 0.23 0.00 0.00 176.35 173.27 1bta n PRO 27 N -3.62 -3.97 0.19 1.29 -0.02 -1.26 -4.86 135.00 122.74 1bta n PRO 27 Ca 0.09 -1.24 0.12 0.00 -2.02 0.00 0.00 63.50 60.45 1bta n PRO 27 Cb 0.53 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.51 1bta n PRO 27 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1bta h GLU 28 N 0.00 0.00 -0.59 -0.52 5.08 -2.01 -3.07 114.58 113.48 1bta h GLU 28 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1bta h GLU 28 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1bta h GLU 28 CO 0.20 0.00 0.00 2.48 -1.00 0.00 0.00 179.01 180.69 1bta n TYR 29 N -2.86 0.96 -1.25 4.33 0.18 -1.26 -4.94 117.16 112.33 1bta n TYR 29 Ca 0.04 -0.40 -0.48 0.00 1.88 0.00 0.00 57.90 58.95 1bta n TYR 29 Cb 0.50 -0.15 -0.12 0.00 -0.38 0.00 0.00 39.34 39.19 1bta n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1bta n TYR 30 N 0.77 0.84 0.29 -3.48 9.36 -1.16 -4.67 117.16 119.11 1bta n TYR 30 Ca 0.18 0.56 0.03 0.00 3.32 0.00 0.00 57.90 61.99 1bta n TYR 30 Cb 0.61 -2.14 0.15 0.00 -0.63 0.00 0.00 39.34 37.33 1bta n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bta n GLY 31 N 6.52 -0.48 2.83 2.98 0.00 -1.26 -4.79 105.19 110.99 1bta n GLY 31 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1bta n GLY 31 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bta n GLU 32 N -1.28 -0.72 -1.43 1.61 0.28 -1.26 -4.89 120.64 112.95 1bta n GLU 32 Ca 0.03 0.09 -0.17 0.00 -0.16 0.00 0.00 57.16 56.95 1bta n GLU 32 Cb 0.05 -3.12 0.11 0.00 1.43 0.00 0.00 31.44 29.90 1bta n GLU 32 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1bta n ASN 33 N 0.36 0.36 0.07 -1.84 3.02 -1.26 -4.80 115.26 111.17 1bta n ASN 33 Ca 0.00 -1.46 -0.16 0.00 -0.03 0.00 0.00 54.58 52.93 1bta n ASN 33 Cb 0.09 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.64 1bta n ASN 33 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bta h LEU 34 N 0.00 0.63 -0.91 3.41 3.38 -1.96 -1.09 115.31 118.77 1bta h LEU 34 Ca -0.24 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 1bta h LEU 34 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1bta h LEU 34 CO 0.20 1.34 -0.12 0.44 0.09 0.00 0.00 178.44 180.40 1bta h ASP 35 N 0.24 0.66 0.00 -0.43 3.32 -1.97 -0.57 116.42 117.68 1bta h ASP 35 Ca -0.11 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1bta h ASP 35 Cb 1.69 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 1bta h ASP 35 CO 0.19 0.81 -0.06 0.00 -1.72 0.00 0.00 179.24 178.45 1bta h ALA 36 N 1.26 0.01 -0.72 3.45 0.00 -1.90 -0.97 119.26 120.38 1bta h ALA 36 Ca 0.11 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1bta h ALA 36 Cb 0.56 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1bta h ALA 36 CO 0.04 0.05 -0.22 1.25 0.00 0.00 0.00 179.25 180.36 1bta h LEU 37 N -1.00 -0.79 0.53 0.00 5.85 -1.24 0.27 115.31 118.92 1bta h LEU 37 Ca -0.01 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1bta h LEU 37 Cb 0.44 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1bta h LEU 37 CO -0.01 -0.26 -0.33 -0.25 -0.34 0.00 0.00 178.44 177.26 1bta h TRP 38 N -0.03 -0.86 -0.97 1.25 2.91 -1.19 0.94 115.95 118.00 1bta h TRP 38 Ca 0.34 -0.01 0.28 0.00 1.13 0.00 0.00 58.89 60.63 1bta h TRP 38 Cb 0.55 0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.46 1bta h TRP 38 CO -0.61 -0.50 1.01 -0.44 -1.03 0.00 0.00 178.44 176.88 1bta h ASP 39 N -0.82 0.00 0.00 2.65 5.19 0.82 0.54 116.42 124.81 1bta h ASP 39 Ca -0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1bta h ASP 39 Cb 0.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1bta h ASP 39 CO 0.06 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 176.18 1bta h LEU 41 N -0.99 0.01 0.00 0.00 3.38 0.10 0.36 115.31 118.17 1bta h LEU 41 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bta h LEU 41 Cb 0.85 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1bta h LEU 41 CO 0.00 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1bta n THR 42 N -5.09 0.00 -2.66 0.22 -2.24 -0.31 -4.27 114.28 99.93 1bta n THR 42 Ca -0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1bta n THR 42 Cb 0.06 -0.41 0.11 0.00 -2.10 0.00 0.00 70.33 67.99 1bta n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bta n GLY 43 N 0.46 -1.52 0.00 3.38 0.00 -0.64 -5.04 105.19 101.83 1bta n GLY 43 Ca 0.11 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1bta n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bta n TRP 44 N 0.53 0.00 -1.69 1.61 -0.00 0.11 -4.66 117.44 113.33 1bta n TRP 44 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.07 1bta n TRP 44 Cb 0.76 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 32.13 1bta n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1bta n VAL 45 N 0.00 4.50 -3.96 5.87 0.31 -0.34 -4.98 118.33 119.74 1bta n VAL 45 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1bta n VAL 45 Cb 0.00 -1.40 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 1bta n VAL 45 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1bta s GLU 46 N -3.15 3.85 0.40 5.55 -1.05 -1.26 -4.91 118.70 118.13 1bta s GLU 46 Ca 0.80 -0.29 0.07 0.00 -0.15 0.00 0.00 54.97 55.40 1bta s GLU 46 Cb -0.39 -3.21 -0.05 0.00 -0.44 0.00 0.00 34.13 30.03 1bta s GLU 46 CO 0.43 0.40 0.15 0.71 0.95 0.00 0.00 175.26 177.90 1bta s TYR 47 N 0.03 2.60 0.31 4.83 2.02 -1.26 -3.74 117.35 122.14 1bta s TYR 47 Ca 0.07 -0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 1bta s TYR 47 Cb -0.12 -1.89 -0.11 0.00 -0.40 0.00 0.00 41.96 39.44 1bta s TYR 47 CO 0.00 0.24 1.53 -1.25 -1.57 0.00 0.00 175.55 174.51 1bta s PRO 48 N -3.87 4.15 0.21 -1.71 0.04 -1.26 -4.80 135.00 127.76 1bta s PRO 48 Ca 0.40 2.53 0.09 0.00 0.04 0.00 0.00 61.00 64.05 1bta s PRO 48 Cb 0.04 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1bta s PRO 48 CO 0.22 -0.56 -0.04 -1.17 0.04 0.00 0.00 177.00 175.49 1bta s LEU 49 N -0.99 3.12 -0.05 -3.56 2.96 0.20 0.12 118.68 120.48 1bta s LEU 49 Ca 0.59 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1bta s LEU 49 Cb -0.46 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1bta s LEU 49 CO 0.52 0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.72 1bta s VAL 50 N -1.94 2.52 -0.68 1.68 1.01 0.82 0.16 120.40 123.97 1bta s VAL 50 Ca 0.28 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1bta s VAL 50 Cb -0.08 -1.94 0.16 0.00 0.00 0.00 0.00 36.38 34.52 1bta s VAL 50 CO 0.18 0.58 0.46 -0.22 0.00 0.00 0.00 175.10 176.09 1bta s LEU 51 N -0.52 4.75 -1.18 3.92 2.96 -0.57 0.32 118.68 128.36 1bta s LEU 51 Ca 0.07 -3.73 -0.20 0.00 -0.22 0.00 0.00 54.13 50.05 1bta s LEU 51 Cb -0.11 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.97 1bta s LEU 51 CO 0.01 -0.11 1.72 -0.70 -1.32 0.00 0.00 176.35 175.95 1bta s GLU 52 N -1.28 3.55 -0.44 1.98 2.12 -0.30 -1.44 118.70 122.88 1bta s GLU 52 Ca 0.24 -1.53 -0.29 0.00 0.36 0.00 0.00 54.97 53.75 1bta s GLU 52 Cb -0.08 -5.41 0.03 0.00 0.26 0.00 0.00 34.13 28.92 1bta s GLU 52 CO -0.14 -2.61 1.14 -0.46 -0.54 0.00 0.00 175.26 172.66 1bta s TRP 53 N 5.94 2.85 0.06 5.30 -0.11 0.34 -1.52 118.94 131.81 1bta s TRP 53 Ca 0.56 0.81 0.00 0.00 1.22 0.00 0.00 56.10 58.69 1bta s TRP 53 Cb 0.01 -4.28 -0.04 0.00 -1.50 0.00 0.00 33.47 27.67 1bta s TRP 53 CO 0.04 -1.22 0.20 1.03 -4.62 0.00 0.00 176.95 172.38 1bta s ARG 54 N 4.32 3.40 -0.83 5.86 0.52 0.14 -1.57 118.95 130.80 1bta s ARG 54 Ca 0.48 -0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1bta s ARG 54 Cb -0.09 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 32.36 1bta s ARG 54 CO 0.28 0.61 0.67 1.04 0.02 0.00 0.00 175.30 177.92 1bta n GLN 55 N 0.30 -1.41 0.04 3.54 3.00 -1.16 -3.02 117.38 118.67 1bta n GLN 55 Ca -0.05 1.03 -0.02 0.00 -0.01 0.00 0.00 57.00 57.95 1bta n GLN 55 Cb 0.51 -3.99 -0.01 0.00 0.00 0.00 0.00 30.24 26.75 1bta n GLN 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1bta h PHE 56 N -0.17 -0.13 -0.71 1.08 3.57 -1.81 -1.74 116.94 117.04 1bta h PHE 56 Ca -0.37 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.22 1bta h PHE 56 Cb 1.23 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 1bta h PHE 56 CO 0.23 -0.08 0.47 0.93 -2.23 0.00 0.00 178.31 177.63 1bta h GLU 57 N -0.36 0.56 -0.13 1.11 5.08 -1.92 0.22 114.58 119.13 1bta h GLU 57 Ca -0.01 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1bta h GLU 57 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1bta h GLU 57 CO 0.02 0.37 -0.25 1.96 -1.00 0.00 0.00 179.01 180.11 1bta h GLN 58 N 0.58 0.24 -0.66 2.33 1.08 -1.94 -0.82 115.11 115.92 1bta h GLN 58 Ca 0.33 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1bta h GLN 58 Cb 0.50 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1bta h GLN 58 CO -0.11 0.48 0.00 0.43 -0.95 0.00 0.00 178.83 178.68 1bta n SER 59 N -4.16 4.15 -0.05 1.46 7.64 0.63 -4.00 113.62 119.28 1bta n SER 59 Ca -0.01 -2.53 -0.07 0.00 1.01 0.00 0.00 58.87 57.27 1bta n SER 59 Cb 0.36 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 1bta n SER 59 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1bta n LYS 60 N 0.61 0.72 0.16 1.43 4.81 -0.36 -2.87 118.16 122.66 1bta n LYS 60 Ca 0.20 0.05 -0.07 0.00 -0.87 0.00 0.00 58.31 57.62 1bta n LYS 60 Cb 0.84 -1.22 -0.03 0.00 0.02 0.00 0.00 35.03 34.64 1bta n LYS 60 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1bta h GLN 61 N 0.00 -0.44 -1.21 1.64 4.20 -1.57 -3.09 115.11 114.64 1bta h GLN 61 Ca -0.24 0.03 0.37 0.00 0.06 0.00 0.00 58.65 58.87 1bta h GLN 61 Cb 1.41 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 29.22 1bta h GLN 61 CO -0.03 -0.29 0.85 1.47 -0.67 0.00 0.00 178.83 180.16 1bta n LEU 62 N -4.29 0.05 -3.12 1.46 -0.00 -1.26 0.51 117.00 110.36 1bta n LEU 62 Ca -0.06 0.77 -0.24 0.00 -0.00 0.00 0.00 56.01 56.48 1bta n LEU 62 Cb 0.18 -0.38 -0.05 0.00 -0.00 0.00 0.00 43.42 43.17 1bta n LEU 62 CO 0.14 -0.79 -0.03 1.07 -0.00 0.00 0.00 177.39 177.77 1bta n THR 63 N -3.55 1.53 0.00 1.47 5.66 -1.22 -4.76 114.28 113.41 1bta n THR 63 Ca 0.29 -5.04 0.00 0.00 -3.05 0.00 0.00 64.05 56.25 1bta n THR 63 Cb 1.28 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1bta n THR 63 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1bta n GLU 64 N 0.26 0.00 -2.28 1.09 2.13 0.18 0.28 120.64 122.30 1bta n GLU 64 Ca 0.28 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 58.03 1bta n GLU 64 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1bta n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1bta n ASN 65 N 0.00 -2.74 -0.01 4.31 5.15 -1.20 -4.98 115.26 115.80 1bta n ASN 65 Ca 0.00 -0.04 -0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1bta n ASN 65 Cb 0.00 -1.91 -0.00 0.00 -0.53 0.00 0.00 39.78 37.34 1bta n ASN 65 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1bta h GLY 66 N -0.18 0.00 2.00 8.20 0.00 0.39 -3.41 103.07 110.07 1bta h GLY 66 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1bta h GLY 66 CO 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.58 1bta h ALA 67 N -1.92 0.93 0.00 3.60 0.00 -1.76 -3.25 119.26 116.86 1bta h ALA 67 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bta h ALA 67 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bta h ALA 67 CO 0.00 0.17 -0.11 1.49 0.00 0.00 0.00 179.25 180.81 1bta h GLU 68 N 0.00 0.00 0.00 0.00 4.81 -1.86 -2.90 114.58 114.63 1bta h GLU 68 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1bta h GLU 68 Cb 1.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1bta h GLU 68 CO 0.02 0.11 -0.12 0.77 -0.73 0.00 0.00 179.01 179.05 1bta h SER 69 N 0.00 0.00 -0.81 1.04 0.02 -1.78 -2.97 113.55 109.05 1bta h SER 69 Ca -0.00 -0.44 0.14 0.00 -0.84 0.00 0.00 61.79 60.65 1bta h SER 69 Cb 0.65 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.09 1bta h SER 69 CO 0.01 0.79 0.39 0.58 -1.14 0.00 0.00 176.83 177.46 1bta h VAL 70 N -1.00 0.71 -0.50 2.27 2.07 -1.66 0.21 116.25 118.35 1bta h VAL 70 Ca -0.02 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1bta h VAL 70 Cb 0.53 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1bta h VAL 70 CO -0.01 0.10 0.31 0.25 0.02 0.00 0.00 177.57 178.24 1bta h LEU 71 N 0.56 0.51 -1.19 2.57 5.85 -1.64 0.07 115.31 122.04 1bta h LEU 71 Ca 0.44 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.33 1bta h LEU 71 Cb 0.63 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1bta h LEU 71 CO -0.37 0.37 0.60 -0.61 -0.34 0.00 0.00 178.44 178.09 1bta h GLN 72 N 0.62 0.68 -0.00 1.25 4.15 -0.46 0.21 115.11 121.56 1bta h GLN 72 Ca 0.19 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.41 1bta h GLN 72 Cb -0.02 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1bta h GLN 72 CO -0.07 0.45 -0.77 0.28 -1.93 0.00 0.00 178.83 176.79 1bta h VAL 73 N 0.71 1.52 -0.04 2.39 2.07 -0.10 -0.10 116.25 122.70 1bta h VAL 73 Ca 0.51 -2.54 -0.20 0.00 0.82 0.00 0.00 66.70 65.29 1bta h VAL 73 Cb 0.85 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1bta h VAL 73 CO -0.27 0.73 -0.83 -0.26 0.02 0.00 0.00 177.57 176.96 1bta h PHE 74 N 0.04 0.54 0.19 1.57 0.04 0.11 -0.96 116.94 118.47 1bta h PHE 74 Ca -0.02 -0.27 -0.31 0.00 2.80 0.00 0.00 57.97 60.18 1bta h PHE 74 Cb 1.35 -0.07 0.02 0.00 2.20 0.00 0.00 35.95 39.45 1bta h PHE 74 CO 0.01 1.05 -1.37 0.00 -0.60 0.00 0.00 178.31 177.40 1bta h ARG 75 N 0.24 0.40 -0.26 1.51 2.47 -0.99 -0.62 114.38 117.12 1bta h ARG 75 Ca -0.05 -0.68 -0.02 0.00 -1.26 0.00 0.00 59.98 57.98 1bta h ARG 75 Cb 1.43 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.99 1bta h ARG 75 CO 0.14 1.32 0.10 0.93 0.56 0.00 0.00 179.97 183.02 1bta h GLU 76 N 0.11 0.39 -0.75 0.04 4.39 -1.03 0.46 114.58 118.20 1bta h GLU 76 Ca -0.20 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1bta h GLU 76 Cb 2.07 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.62 1bta h GLU 76 CO 0.24 0.43 0.33 0.00 -1.16 0.00 0.00 179.01 178.85 1bta h ALA 77 N 0.94 1.17 -0.24 3.43 0.00 -1.21 0.43 119.26 123.79 1bta h ALA 77 Ca 0.09 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1bta h ALA 77 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1bta h ALA 77 CO -0.01 0.61 0.16 -0.22 0.00 0.00 0.00 179.25 179.80 1bta h LYS 78 N 1.07 0.11 0.00 0.00 3.11 0.13 0.21 116.57 121.21 1bta h LYS 78 Ca 0.26 -0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.93 1bta h LYS 78 Cb 0.15 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 1bta h LYS 78 CO -0.03 0.08 -0.76 0.00 -2.81 0.00 0.00 179.45 175.93 1bta h ALA 79 N 1.87 0.63 0.00 5.00 0.00 0.41 -3.07 119.26 124.10 1bta h ALA 79 Ca 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1bta h ALA 79 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bta h ALA 79 CO -0.01 0.95 0.00 0.39 0.00 0.00 0.00 179.25 180.58 1bta n GLU 80 N -3.46 0.10 0.00 0.00 -0.58 0.73 -4.75 120.64 112.68 1bta n GLU 80 Ca -0.00 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1bta n GLU 80 Cb 0.78 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1bta n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bta n GLY 81 N -0.56 1.67 3.70 0.62 0.00 -1.16 -5.09 105.19 104.37 1bta n GLY 81 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1bta n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bta n ASP 83 N -4.01 5.60 -4.40 0.00 -0.08 -1.26 -4.55 116.55 107.84 1bta n ASP 83 Ca 0.10 -3.55 -0.45 0.00 -1.51 0.00 0.00 54.79 49.38 1bta n ASP 83 Cb 0.53 -0.94 -0.02 0.00 2.34 0.00 0.00 41.12 43.02 1bta n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1bta s ILE 84 N -3.48 5.21 -0.69 5.18 1.01 -1.25 -0.63 121.20 126.55 1bta s ILE 84 Ca 0.39 -2.20 -0.27 0.00 0.00 0.00 0.00 60.65 58.57 1bta s ILE 84 Cb 0.16 -4.67 -0.13 0.00 0.01 0.00 0.00 42.46 37.83 1bta s ILE 84 CO -0.03 -1.32 2.50 0.41 0.00 0.00 0.00 174.94 176.50 1bta n THR 85 N 4.58 -0.05 -2.30 2.92 -1.04 0.12 -4.74 114.28 113.77 1bta n THR 85 Ca 0.22 -0.52 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 1bta n THR 85 Cb 0.47 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 67.03 1bta n THR 85 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1bta s ILE 86 N 10.97 3.96 -0.39 12.58 -1.09 -1.26 -1.51 121.20 144.46 1bta s ILE 86 Ca 1.11 1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 60.58 1bta s ILE 86 Cb -0.54 -3.99 0.10 0.00 -1.58 0.00 0.00 42.46 36.46 1bta s ILE 86 CO 0.33 -0.42 0.16 -0.63 -1.23 0.00 0.00 174.94 173.15 1bta s ILE 87 N 4.76 3.13 -0.47 2.92 1.01 -0.52 -4.95 121.20 127.08 1bta s ILE 87 Ca 0.62 -2.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.09 1bta s ILE 87 Cb -0.20 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.21 1bta s ILE 87 CO 0.26 -0.61 0.50 -0.76 0.00 0.00 0.00 174.94 174.33 1bta s LEU 88 N 1.12 5.14 0.00 2.97 1.43 -1.26 -0.50 118.68 127.58 1bta s LEU 88 Ca 0.07 -0.97 0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1bta s LEU 88 Cb -0.22 -2.35 0.10 0.00 0.03 0.00 0.00 46.19 43.76 1bta s LEU 88 CO -0.04 -0.72 0.92 -1.20 0.23 0.00 0.00 176.35 175.53