#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jts s GLU 2 N 0.00 0.27 -0.36 0.00 2.02 -1.26 -3.27 118.70 116.09 2jts s GLU 2 Ca 0.00 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.48 2jts s GLU 2 Cb 0.00 0.10 0.12 0.00 0.10 0.00 0.00 34.13 34.44 2jts s GLU 2 CO 0.00 -0.04 0.16 -1.01 0.02 0.00 0.00 175.26 174.38 2jts s HIS 3 N -1.25 1.85 0.18 1.61 3.76 0.08 -4.97 115.29 116.55 2jts s HIS 3 Ca -0.14 -2.06 -0.30 0.00 -0.15 0.00 0.00 55.06 52.42 2jts s HIS 3 Cb -0.09 -1.79 -0.08 0.00 1.11 0.00 0.00 32.58 31.74 2jts s HIS 3 CO -0.01 -0.84 1.02 -1.58 -0.85 0.00 0.00 174.74 172.48 2jts s TRP 4 N 1.05 3.76 -0.09 1.40 0.51 -1.26 -1.39 118.94 122.93 2jts s TRP 4 Ca 0.13 1.75 -0.00 0.00 -2.12 0.00 0.00 56.10 55.87 2jts s TRP 4 Cb -0.21 -3.13 0.02 0.00 -0.81 0.00 0.00 33.47 29.35 2jts s TRP 4 CO -0.13 -0.07 -0.07 0.42 -0.51 0.00 0.00 176.95 176.60 2jts s ILE 5 N -0.50 0.87 -0.39 2.03 -1.09 0.21 -2.67 121.20 119.67 2jts s ILE 5 Ca 0.46 -0.23 -0.28 0.00 -2.23 0.00 0.00 60.65 58.38 2jts s ILE 5 Cb -0.27 -0.90 0.02 0.00 -1.58 0.00 0.00 42.46 39.73 2jts s ILE 5 CO 0.33 0.33 1.04 -0.62 -1.23 0.00 0.00 174.94 174.80 2jts s ASP 6 N 1.51 6.75 -0.22 3.58 2.15 -0.06 -1.71 116.67 128.68 2jts s ASP 6 Ca 0.00 0.70 0.15 0.00 0.43 0.00 0.00 52.55 53.83 2jts s ASP 6 Cb -0.13 -2.52 0.65 0.00 -0.30 0.00 0.00 42.92 40.62 2jts s ASP 6 CO -0.05 -0.99 1.57 1.33 -0.17 0.00 0.00 175.17 176.86 2jts n VAL 7 N 6.21 2.52 -3.43 1.11 0.24 -0.63 -0.45 118.33 123.90 2jts n VAL 7 Ca 0.10 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.67 2jts n VAL 7 Cb 0.48 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2jts n VAL 7 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jts n ARG 8 N -0.12 1.69 -1.70 7.34 0.63 -1.26 -0.91 116.66 122.33 2jts n ARG 8 Ca 0.26 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.81 2jts n ARG 8 Cb 1.05 0.00 0.06 0.00 0.45 0.00 0.00 32.46 34.02 2jts n ARG 8 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2jts n VAL 9 N -0.44 4.52 0.26 5.15 0.24 -1.26 -4.08 118.33 122.71 2jts n VAL 9 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.91 2jts n VAL 9 Cb 0.00 -1.42 0.52 0.00 -1.47 0.00 0.00 33.84 31.47 2jts n VAL 9 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jts n PRO 10 N -1.57 0.15 -0.30 7.34 -0.04 -1.26 -2.61 135.00 136.71 2jts n PRO 10 Ca 0.15 0.53 0.08 0.00 -0.04 0.00 0.00 63.50 64.22 2jts n PRO 10 Cb 0.47 -1.89 0.30 0.00 -0.04 0.00 0.00 33.50 32.34 2jts n PRO 10 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jts h GLU 11 N 0.00 0.85 -0.16 0.54 4.39 -2.00 0.49 114.58 118.70 2jts h GLU 11 Ca 0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2jts h GLU 11 Cb 0.16 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2jts h GLU 11 CO 0.00 0.56 -0.12 -0.56 -1.16 0.00 0.00 179.01 177.73 2jts h GLN 12 N 0.87 0.36 -0.52 2.33 -0.00 -1.86 -3.17 115.11 113.13 2jts h GLN 12 Ca 0.44 -0.18 0.04 0.00 -0.00 0.00 0.00 58.65 58.95 2jts h GLN 12 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.95 2jts h GLN 12 CO -0.21 0.72 0.34 -0.92 -0.00 0.00 0.00 178.83 178.77 2jts h TYR 13 N 0.01 0.54 -0.82 0.06 5.03 -1.50 -0.70 116.97 119.59 2jts h TYR 13 Ca 0.03 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 2jts h TYR 13 Cb 0.64 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 2jts h TYR 13 CO 0.08 0.31 0.37 0.37 -1.32 0.00 0.00 178.16 177.97 2jts h GLN 14 N 0.56 1.20 -0.02 1.82 5.75 -0.90 -2.98 115.11 120.54 2jts h GLN 14 Ca 0.21 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2jts h GLN 14 Cb 0.15 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 2jts h GLN 14 CO -0.06 0.94 -0.01 1.96 -2.65 0.00 0.00 178.83 179.01 2jts h GLN 15 N 1.18 0.03 -1.64 1.69 1.08 -1.11 -2.25 115.11 114.09 2jts h GLN 15 Ca 0.28 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.58 2jts h GLN 15 Cb 0.15 -0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.36 2jts h GLN 15 CO -0.03 0.42 0.59 -1.83 -0.95 0.00 0.00 178.83 177.03 2jts s GLU 16 N -4.62 0.57 0.05 1.46 -1.05 -1.02 -4.48 118.70 109.60 2jts s GLU 16 Ca -0.15 0.04 0.02 0.00 -0.15 0.00 0.00 54.97 54.72 2jts s GLU 16 Cb 0.03 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2jts s GLU 16 CO 0.68 -0.20 -0.06 -3.38 0.95 0.00 0.00 175.26 173.25 2jts s HIS 17 N -1.56 0.62 0.07 4.83 -3.43 0.05 -3.98 115.29 111.89 2jts s HIS 17 Ca 0.01 -0.61 -0.34 0.00 -0.80 0.00 0.00 55.06 53.32 2jts s HIS 17 Cb -0.01 -0.38 -0.13 0.00 -1.43 0.00 0.00 32.58 30.63 2jts s HIS 17 CO -0.01 -0.13 1.67 0.28 -2.00 0.00 0.00 174.74 174.54 2jts n VAL 18 N 1.14 0.20 -1.68 -5.38 0.31 -1.26 -1.64 118.33 110.02 2jts n VAL 18 Ca -0.21 -0.04 -0.47 0.00 -0.01 0.00 0.00 64.34 63.62 2jts n VAL 18 Cb 0.56 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 2jts n VAL 18 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jts n GLN 19 N 4.49 2.29 -0.24 5.55 0.00 -0.33 -1.37 117.38 127.77 2jts n GLN 19 Ca 0.19 0.84 0.00 0.00 -0.00 0.00 0.00 57.00 58.03 2jts n GLN 19 Cb 0.28 -2.69 0.00 0.00 0.00 0.00 0.00 30.24 27.83 2jts n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jts n GLY 20 N 4.28 0.74 3.66 1.69 0.00 -1.26 -5.02 105.19 109.28 2jts n GLY 20 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2jts n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jts s ALA 21 N -2.56 1.20 -0.01 4.61 0.00 -0.47 -4.70 121.76 119.83 2jts s ALA 21 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2jts s ALA 21 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2jts s ALA 21 CO 0.00 -2.74 -0.09 0.96 0.00 0.00 0.00 175.76 173.89 2jts s ILE 22 N -2.72 0.69 -0.34 0.00 -4.36 -1.09 -4.90 121.20 108.48 2jts s ILE 22 Ca 0.65 -0.36 -0.29 0.00 -0.26 0.00 0.00 60.65 60.39 2jts s ILE 22 Cb -0.21 -0.59 0.01 0.00 1.25 0.00 0.00 42.46 42.92 2jts s ILE 22 CO 0.59 0.20 1.15 0.21 0.24 0.00 0.00 174.94 177.33 2jts s ASN 23 N -0.10 6.80 -0.41 4.36 3.84 -1.26 -0.88 114.94 127.29 2jts s ASN 23 Ca 0.02 0.99 0.04 0.00 0.21 0.00 0.00 52.86 54.11 2jts s ASN 23 Cb -0.05 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.28 2jts s ASN 23 CO -0.00 -1.01 0.33 -0.63 -2.79 0.00 0.00 177.10 173.00 2jts s ILE 24 N 4.01 0.35 0.75 -5.21 1.01 0.40 -4.97 121.20 117.54 2jts s ILE 24 Ca 0.49 -2.58 -0.16 0.00 0.00 0.00 0.00 60.65 58.40 2jts s ILE 24 Cb -0.12 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 2jts s ILE 24 CO 0.20 -1.21 0.64 -2.65 0.00 0.00 0.00 174.94 171.92 2jts n PRO 25 N 2.94 0.28 -0.35 2.79 -0.02 -1.26 -4.17 135.00 135.21 2jts n PRO 25 Ca 0.28 0.14 0.26 0.00 -2.02 0.00 0.00 63.50 62.16 2jts n PRO 25 Cb 0.47 -1.94 0.54 0.00 -0.02 0.00 0.00 33.50 32.55 2jts n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jts h LEU 26 N -0.49 0.39 -1.58 2.45 5.85 -1.30 0.70 115.31 121.33 2jts h LEU 26 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2jts h LEU 26 Cb 1.34 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2jts h LEU 26 CO 0.43 0.02 0.00 0.11 -0.34 0.00 0.00 178.44 178.66 2jts h LYS 27 N 0.32 0.00 0.00 1.25 1.57 -1.89 -3.31 116.57 114.51 2jts h LYS 27 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 2jts h LYS 27 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.06 2jts h LYS 27 CO -0.32 0.00 -0.46 0.39 -0.57 0.00 0.00 179.45 178.50 2jts n GLU 28 N -2.76 2.83 -0.29 3.15 1.02 0.10 -4.79 120.64 119.90 2jts n GLU 28 Ca -0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 2jts n GLU 28 Cb 0.20 -0.68 0.63 0.00 -0.02 0.00 0.00 31.44 31.57 2jts n GLU 28 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2jts h VAL 29 N 0.00 0.51 0.00 2.62 3.04 -1.28 -0.92 116.25 120.22 2jts h VAL 29 Ca 0.00 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2jts h VAL 29 Cb 0.00 0.30 -0.00 0.00 -2.01 0.00 0.00 31.29 29.57 2jts h VAL 29 CO 0.00 0.04 -0.00 0.50 -1.01 0.00 0.00 177.57 177.09 2jts h LYS 30 N 0.20 0.00 0.00 4.17 3.64 -1.87 -2.90 116.57 119.81 2jts h LYS 30 Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2jts h LYS 30 Cb 1.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 2jts h LYS 30 CO -0.14 0.00 -0.89 0.39 -2.27 0.00 0.00 179.45 176.54 2jts n GLU 31 N -3.81 0.00 0.24 1.90 1.02 -0.55 -4.70 120.64 114.74 2jts n GLU 31 Ca -0.03 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.27 2jts n GLU 31 Cb 0.08 -0.88 0.81 0.00 -0.02 0.00 0.00 31.44 31.43 2jts n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jts h ARG 32 N 0.00 0.00 -0.89 3.49 3.08 -1.30 -1.46 114.38 117.30 2jts h ARG 32 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 2jts h ARG 32 Cb 0.89 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 2jts h ARG 32 CO 0.00 0.00 0.58 0.97 -1.07 0.00 0.00 179.97 180.45 2jts h ILE 33 N 0.00 0.83 -0.57 2.04 6.09 -1.74 -1.25 117.51 122.91 2jts h ILE 33 Ca 0.00 -0.24 -0.09 0.00 -1.37 0.00 0.00 64.86 63.16 2jts h ILE 33 Cb 0.15 0.08 -0.02 0.00 0.47 0.00 0.00 36.82 37.50 2jts h ILE 33 CO 0.00 0.13 -0.01 0.00 -3.07 0.00 0.00 178.15 175.20 2jts h ALA 34 N 1.60 0.77 0.18 0.18 0.00 -1.50 0.73 119.26 121.22 2jts h ALA 34 Ca 0.45 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 2jts h ALA 34 Cb 0.72 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2jts h ALA 34 CO -0.21 0.60 -1.35 1.79 0.00 0.00 0.00 179.25 180.09 2jts h THR 35 N 0.90 1.35 -0.37 0.00 1.35 -1.69 -3.15 112.91 111.30 2jts h THR 35 Ca 0.16 -2.76 -0.14 0.00 -0.55 0.00 0.00 66.41 63.12 2jts h THR 35 Cb 0.56 2.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.89 2jts h THR 35 CO 0.03 0.82 -0.33 0.00 -0.25 0.00 0.00 175.52 175.79 2jts h ALA 36 N 0.33 0.70 -2.49 6.62 0.00 -1.10 -3.39 119.26 119.93 2jts h ALA 36 Ca -0.20 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.69 2jts h ALA 36 Cb 2.04 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 19.31 2jts h ALA 36 CO 0.24 0.67 -0.91 0.08 0.00 0.00 0.00 179.25 179.33 2jts s VAL 37 N -4.45 0.47 0.65 0.00 1.01 0.24 -5.01 120.40 113.32 2jts s VAL 37 Ca -0.10 -2.47 0.34 0.00 0.00 0.00 0.00 61.98 59.75 2jts s VAL 37 Cb 0.12 -1.34 0.36 0.00 0.00 0.00 0.00 36.38 35.52 2jts s VAL 37 CO 0.86 -1.14 2.09 -0.65 0.00 0.00 0.00 175.10 176.26 2jts h PRO 38 N 6.06 0.00 -3.29 2.72 0.11 -1.75 -3.32 132.00 132.54 2jts h PRO 38 Ca 0.19 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.71 2jts h PRO 38 Cb 0.92 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.63 2jts h PRO 38 CO 0.36 0.00 -0.76 0.34 -0.21 0.00 0.00 178.00 177.74 2jts s ASP 39 N -4.90 3.82 0.00 -2.05 2.15 -1.26 -5.01 116.67 109.42 2jts s ASP 39 Ca -0.04 -2.04 0.09 0.00 0.43 0.00 0.00 52.55 50.98 2jts s ASP 39 Cb 0.11 -0.90 0.45 0.00 -0.30 0.00 0.00 42.92 42.28 2jts s ASP 39 CO 0.37 -0.35 1.15 0.29 -0.17 0.00 0.00 175.17 176.46 2jts n LYS 40 N 4.31 0.13 0.26 4.34 5.02 -1.25 -1.44 118.16 129.52 2jts n LYS 40 Ca 0.03 0.20 0.14 0.00 -2.02 0.00 0.00 58.31 56.66 2jts n LYS 40 Cb 0.39 -1.50 0.58 0.00 -0.02 0.00 0.00 35.03 34.48 2jts n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jts h ASN 41 N 0.00 0.00 -4.04 4.39 -0.73 -1.92 -2.50 115.58 110.77 2jts h ASN 41 Ca 0.00 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.65 2jts h ASN 41 Cb 0.08 0.00 0.09 0.00 0.27 0.00 0.00 38.32 38.76 2jts h ASN 41 CO 0.00 0.08 0.50 -0.62 -0.37 0.00 0.00 177.43 177.02 2jts s ASP 42 N -5.90 5.72 0.13 1.15 2.15 -0.52 -4.68 116.67 114.72 2jts s ASP 42 Ca 0.01 2.39 -0.31 0.00 0.43 0.00 0.00 52.55 55.07 2jts s ASP 42 Cb 0.09 -2.60 -0.10 0.00 -0.30 0.00 0.00 42.92 40.01 2jts s ASP 42 CO 0.58 -1.23 1.68 -0.89 -0.17 0.00 0.00 175.17 175.14 2jts s THR 43 N -1.54 2.63 -0.06 1.71 2.01 -1.20 -4.68 115.64 114.50 2jts s THR 43 Ca 0.69 0.30 0.06 0.00 0.31 0.00 0.00 61.69 63.05 2jts s THR 43 Cb -0.30 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2jts s THR 43 CO 0.36 0.01 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.36 2jts s VAL 44 N 1.96 2.05 -0.28 3.82 1.01 -0.63 -0.74 120.40 127.59 2jts s VAL 44 Ca 0.74 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2jts s VAL 44 Cb -0.44 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.29 2jts s VAL 44 CO 0.33 0.57 0.06 -0.54 0.00 0.00 0.00 175.10 175.52 2jts s LYS 45 N -0.13 0.85 -0.04 2.72 1.02 -0.48 -0.76 119.74 122.91 2jts s LYS 45 Ca -0.05 -0.97 -0.19 0.00 0.02 0.00 0.00 55.97 54.79 2jts s LYS 45 Cb -0.14 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 2jts s LYS 45 CO 0.04 -0.87 0.53 0.14 -0.92 0.00 0.00 175.35 174.27 2jts s VAL 46 N 1.60 5.01 0.05 3.17 -7.23 -0.58 -0.62 120.40 121.81 2jts s VAL 46 Ca 0.06 1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 61.31 2jts s VAL 46 Cb -0.17 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.87 2jts s VAL 46 CO -0.19 0.42 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.28 2jts s TYR 47 N -0.08 0.47 0.19 2.82 1.13 -0.69 -1.88 117.35 119.31 2jts s TYR 47 Ca 0.28 -0.97 0.02 0.00 -1.41 0.00 0.00 57.07 54.99 2jts s TYR 47 Cb -0.17 -0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 40.34 2jts s TYR 47 CO 0.14 -0.36 0.22 0.00 -2.51 0.00 0.00 175.55 173.04 2jts h ASN 49 N 1.15 0.22 0.00 0.00 -1.24 -1.94 0.19 115.58 113.95 2jts h ASN 49 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.87 2jts h ASN 49 Cb 0.68 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2jts h ASN 49 CO 0.20 0.13 0.00 0.00 -1.29 0.00 0.00 177.43 176.48 2jts n ALA 50 N -2.55 1.24 0.00 1.57 0.00 -1.26 -4.09 120.51 115.42 2jts n ALA 50 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2jts n ALA 50 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2jts n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jts n GLY 51 N -0.13 1.01 0.11 0.00 0.00 -1.25 -4.72 105.19 100.21 2jts n GLY 51 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jts n GLY 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jts h ARG 52 N 0.00 0.24 0.00 1.61 9.65 -1.93 -0.49 114.38 123.46 2jts h ARG 52 Ca 0.00 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 2jts h ARG 52 Cb 0.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 2jts h ARG 52 CO 0.00 0.16 -0.36 1.96 2.80 0.00 0.00 179.97 184.53 2jts h GLN 53 N 0.25 0.00 -0.08 0.20 4.20 -1.96 0.22 115.11 117.95 2jts h GLN 53 Ca 0.08 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 2jts h GLN 53 Cb -0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2jts h GLN 53 CO -0.04 0.36 -0.61 0.66 -0.67 0.00 0.00 178.83 178.53 2jts h SER 54 N 0.00 0.30 -0.43 1.46 4.64 -1.82 -0.12 113.55 117.59 2jts h SER 54 Ca -0.00 -0.18 0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2jts h SER 54 Cb 1.02 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.97 2jts h SER 54 CO 0.05 0.84 0.15 1.23 -0.87 0.00 0.00 176.83 178.23 2jts h GLY 55 N 1.45 0.56 0.98 -0.77 0.00 -0.03 0.14 103.07 105.40 2jts h GLY 55 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2jts h GLY 55 CO 0.10 0.03 0.26 1.46 0.00 0.00 0.00 176.54 178.38 2jts h GLN 56 N 0.32 0.62 -0.50 4.80 4.20 -0.64 -1.02 115.11 122.89 2jts h GLN 56 Ca 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2jts h GLN 56 Cb 0.18 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2jts h GLN 56 CO -0.20 0.48 0.31 0.00 -0.67 0.00 0.00 178.83 178.74 2jts h ALA 57 N 1.11 1.60 -0.29 3.87 0.00 -0.65 -0.17 119.26 124.72 2jts h ALA 57 Ca 0.16 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jts h ALA 57 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jts h ALA 57 CO -0.03 0.35 -0.10 -0.22 0.00 0.00 0.00 179.25 179.26 2jts h LYS 58 N 0.68 0.59 -0.92 0.00 3.64 -0.33 -1.38 116.57 118.85 2jts h LYS 58 Ca 0.18 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jts h LYS 58 Cb -0.04 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2jts h LYS 58 CO -0.04 0.80 0.57 0.93 -2.27 0.00 0.00 179.45 179.44 2jts h GLU 59 N 0.34 1.24 -0.06 1.90 5.08 -0.15 0.30 114.58 123.23 2jts h GLU 59 Ca 0.07 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2jts h GLU 59 Cb 0.60 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2jts h GLU 59 CO 0.03 0.86 -0.10 0.82 -1.00 0.00 0.00 179.01 179.62 2jts h ILE 60 N 1.26 0.74 -0.21 3.13 2.04 -0.98 -1.58 117.51 121.91 2jts h ILE 60 Ca 0.33 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.09 2jts h ILE 60 Cb -0.08 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2jts h ILE 60 CO -0.06 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.71 2jts h LEU 61 N -0.13 0.44 -0.94 1.44 3.38 -0.39 -1.13 115.31 117.98 2jts h LEU 61 Ca 0.06 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2jts h LEU 61 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jts h LEU 61 CO -0.14 0.73 -0.12 0.28 0.09 0.00 0.00 178.44 179.28 2jts h SER 62 N 0.37 0.63 -0.10 -0.43 0.02 -0.21 -0.45 113.55 113.38 2jts h SER 62 Ca 0.05 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2jts h SER 62 Cb 0.73 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2jts h SER 62 CO 0.06 0.78 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.38 2jts h GLU 63 N 0.59 0.23 -0.27 3.45 4.81 -0.92 -3.34 114.58 119.12 2jts h GLU 63 Ca 0.10 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2jts h GLU 63 Cb 0.55 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2jts h GLU 63 CO 0.03 0.60 -0.33 0.00 -0.73 0.00 0.00 179.01 178.58 2jts h MET 64 N -0.15 0.59 0.00 1.92 -0.00 -0.85 -3.46 114.93 112.98 2jts h MET 64 Ca 0.02 -0.27 0.00 0.00 -0.00 0.00 0.00 59.70 59.45 2jts h MET 64 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2jts h MET 64 CO 0.02 0.84 0.00 0.41 -0.00 0.00 0.00 176.91 178.18 2jts n GLY 65 N -0.14 0.00 3.52 -3.00 0.00 -0.50 -5.10 105.19 99.97 2jts n GLY 65 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2jts n GLY 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jts n TYR 66 N 0.00 -0.45 0.00 1.61 4.11 -0.30 -4.99 117.16 117.15 2jts n TYR 66 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.90 58.21 2jts n TYR 66 Cb 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 39.34 37.46 2jts n TYR 66 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2jts n THR 67 N -3.76 0.00 -2.62 -3.48 -2.24 -1.26 -4.94 114.28 95.97 2jts n THR 67 Ca 0.09 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.88 2jts n THR 67 Cb 0.53 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2jts n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jts n HIS 68 N -1.32 0.40 -2.75 4.78 -0.00 -0.94 -4.91 115.22 110.47 2jts n HIS 68 Ca 0.00 -1.27 -0.39 0.00 0.46 0.00 0.00 57.72 56.51 2jts n HIS 68 Cb 0.05 -0.03 -0.06 0.00 -0.12 0.00 0.00 29.99 29.83 2jts n HIS 68 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jts s VAL 69 N -1.60 4.08 0.01 3.57 1.01 -1.26 -1.61 120.40 124.60 2jts s VAL 69 Ca 0.27 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.26 2jts s VAL 69 Cb 0.34 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2jts s VAL 69 CO -0.10 0.41 -0.02 -0.70 0.00 0.00 0.00 175.10 174.69 2jts s GLU 70 N -1.39 0.20 -0.55 2.72 2.12 0.06 -4.93 118.70 116.92 2jts s GLU 70 Ca 0.43 -0.32 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 2jts s GLU 70 Cb -0.24 -0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.18 2jts s GLU 70 CO 0.30 -0.01 0.91 1.21 -0.54 0.00 0.00 175.26 177.14 2jts s ASN 71 N -0.73 6.33 0.35 -1.70 3.04 -1.26 -1.52 114.94 119.45 2jts s ASN 71 Ca -0.07 -0.41 0.07 0.00 0.04 0.00 0.00 52.86 52.48 2jts s ASN 71 Cb -0.05 -2.42 0.66 0.00 -1.54 0.00 0.00 41.25 37.90 2jts s ASN 71 CO -0.00 -1.20 1.86 0.00 -3.04 0.00 0.00 177.10 174.72 2jts h ALA 72 N 9.29 1.39 0.00 1.71 0.00 -1.68 -3.47 119.26 126.49 2jts h ALA 72 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jts h ALA 72 Cb 1.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jts h ALA 72 CO 1.08 0.42 0.00 0.41 0.00 0.00 0.00 179.25 181.16 2jts n GLY 73 N -0.77 0.07 3.44 0.00 0.00 -1.25 -4.77 105.19 101.91 2jts n GLY 73 Ca -0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2jts n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jts s GLY 74 N 0.00 2.08 0.24 -0.02 0.00 -1.26 -3.99 107.32 104.37 2jts s GLY 74 Ca 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 44.72 42.71 2jts s GLY 74 CO 0.00 -1.79 1.89 -2.00 0.00 0.00 0.00 173.10 171.20 2jts h LEU 75 N 2.12 1.14 0.00 0.66 7.12 -0.78 0.80 115.31 126.37 2jts h LEU 75 Ca -0.40 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.54 2jts h LEU 75 Cb 1.25 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 2jts h LEU 75 CO 0.67 0.87 0.00 2.29 -0.13 0.00 0.00 178.44 182.15 2jts n LYS 76 N -4.35 0.25 0.00 1.25 2.85 -1.26 -3.87 118.16 113.03 2jts n LYS 76 Ca 0.11 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2jts n LYS 76 Cb 0.06 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2jts n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jts n ASP 77 N -1.18 2.70 -4.74 -5.58 2.03 -0.15 -5.05 116.55 104.57 2jts n ASP 77 Ca 0.07 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.99 2jts n ASP 77 Cb 0.08 0.08 0.03 0.00 -0.72 0.00 0.00 41.12 40.59 2jts n ASP 77 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jts n ILE 78 N -1.95 3.18 -3.68 5.18 5.41 0.09 -4.92 119.36 122.68 2jts n ILE 78 Ca 0.00 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.97 2jts n ILE 78 Cb 0.32 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.45 2jts n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jts n ALA 79 N -0.58 3.72 -2.14 -1.39 0.00 -1.26 -4.97 120.51 113.89 2jts n ALA 79 Ca 0.08 -4.64 -0.08 0.00 0.00 0.00 0.00 53.44 48.79 2jts n ALA 79 Cb 0.42 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 2jts n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jts s MET 80 N -1.94 0.79 0.41 0.00 -1.94 -1.26 -5.15 119.30 110.21 2jts s MET 80 Ca 0.32 -1.33 -0.25 0.00 -1.71 0.00 0.00 55.69 52.72 2jts s MET 80 Cb 0.05 0.23 -0.11 0.00 2.01 0.00 0.00 34.83 37.01 2jts s MET 80 CO -0.10 -0.19 0.98 -2.30 -0.01 0.00 0.00 175.02 173.40 2jts n PRO 81 N -0.00 1.30 -4.00 2.03 -0.02 -1.26 -4.90 135.00 128.14 2jts n PRO 81 Ca -0.09 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2jts n PRO 81 Cb 0.62 -1.99 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 2jts n PRO 81 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jts s LYS 82 N -1.94 0.33 0.03 -0.52 1.02 -1.26 -1.19 119.74 116.21 2jts s LYS 82 Ca 0.63 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 56.06 2jts s LYS 82 Cb -0.57 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.65 2jts s LYS 82 CO 0.57 0.00 0.07 0.14 -0.92 0.00 0.00 175.35 175.22 2jts s VAL 83 N -1.08 0.13 0.64 3.17 -7.23 -0.65 -4.89 120.40 110.50 2jts s VAL 83 Ca -0.10 -1.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.83 2jts s VAL 83 Cb -0.08 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 2jts s VAL 83 CO -0.00 -0.61 1.08 -0.54 -0.31 0.00 0.00 175.10 174.72 2jts s LYS 84 N -2.48 3.02 0.00 4.82 1.02 -1.26 -0.77 119.74 124.09 2jts s LYS 84 Ca -0.06 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.16 2jts s LYS 84 Cb -0.02 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 2jts s LYS 84 CO -0.04 -1.05 0.51 0.41 -0.92 0.00 0.00 175.35 174.25