#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 0.85 -0.15 0.00 1.03 -1.26 -2.80 118.70 116.37 2jts s GLU 2 Ca 0.00 -1.13 -0.02 0.00 0.03 0.00 0.00 54.97 53.85 2jts s GLU 2 Cb 0.00 0.30 0.05 0.00 -0.80 0.00 0.00 34.13 33.68 2jts s GLU 2 CO 0.00 -0.25 0.00 -1.01 -1.33 0.00 0.00 175.26 172.67 2jts s HIS 3 N -3.92 1.09 0.34 4.83 3.76 -0.33 -4.94 115.29 116.12 2jts s HIS 3 Ca 0.10 -0.72 -0.27 0.00 -0.15 0.00 0.00 55.06 54.02 2jts s HIS 3 Cb 0.06 -1.03 -0.09 0.00 1.11 0.00 0.00 32.58 32.62 2jts s HIS 3 CO -0.07 -0.53 1.14 -1.58 -0.85 0.00 0.00 174.74 172.85 2jts s TRP 4 N 1.83 3.32 -0.05 1.40 0.52 -1.26 -1.12 118.94 123.58 2jts s TRP 4 Ca 0.01 1.61 -0.01 0.00 0.02 0.00 0.00 56.10 57.73 2jts s TRP 4 Cb -0.15 -3.35 0.03 0.00 -1.15 0.00 0.00 33.47 28.85 2jts s TRP 4 CO -0.07 -0.95 0.02 0.42 0.02 0.00 0.00 176.95 176.39 2jts s ILE 5 N -1.30 0.21 -0.19 2.03 -1.09 -0.57 -3.74 121.20 116.55 2jts s ILE 5 Ca 0.50 0.19 -0.26 0.00 -2.23 0.00 0.00 60.65 58.86 2jts s ILE 5 Cb -0.31 -0.38 -0.01 0.00 -1.58 0.00 0.00 42.46 40.18 2jts s ILE 5 CO 0.40 0.22 0.88 -0.62 -1.23 0.00 0.00 174.94 174.59 2jts s ASP 6 N 1.82 6.97 -0.10 3.58 2.15 -0.51 -1.57 116.67 129.01 2jts s ASP 6 Ca 0.02 1.20 0.14 0.00 0.43 0.00 0.00 52.55 54.34 2jts s ASP 6 Cb -0.12 -2.47 0.44 0.00 -0.30 0.00 0.00 42.92 40.46 2jts s ASP 6 CO -0.04 -0.48 1.36 1.33 -0.17 0.00 0.00 175.17 177.17 2jts n VAL 7 N 4.97 1.71 -2.85 1.11 0.24 -0.77 -0.31 118.33 122.42 2jts n VAL 7 Ca 0.06 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 2jts n VAL 7 Cb 0.48 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.02 1.32 -1.90 7.34 0.63 -1.26 -0.59 116.66 122.22 2jts n ARG 8 Ca 0.17 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.76 2jts n ARG 8 Cb 0.69 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.64 2jts n ARG 8 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2jts s VAL 9 N 1.14 2.93 0.64 5.15 -7.23 -1.26 -4.29 120.40 117.48 2jts s VAL 9 Ca 0.00 0.51 0.28 0.00 -1.81 0.00 0.00 61.98 60.96 2jts s VAL 9 Cb 0.00 -3.10 0.31 0.00 0.56 0.00 0.00 36.38 34.15 2jts s VAL 9 CO 0.00 -0.19 1.87 -0.65 -0.31 0.00 0.00 175.10 175.82 2jts h PRO 10 N 0.49 0.00 0.00 4.82 0.11 -1.98 -2.52 132.00 132.92 2jts h PRO 10 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2jts h PRO 10 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jts h PRO 10 CO 0.54 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 179.20 2jts h GLU 11 N 0.00 0.00 -0.02 1.05 5.08 -2.00 -0.01 114.58 118.68 2jts h GLU 11 Ca 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2jts h GLU 11 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2jts h GLU 11 CO -0.00 0.06 -0.25 -0.56 -1.00 0.00 0.00 179.01 177.26 2jts h GLN 12 N 0.00 0.21 -0.77 2.33 3.07 -1.79 -3.33 115.11 114.84 2jts h GLN 12 Ca -0.00 -0.19 0.08 0.00 0.09 0.00 0.00 58.65 58.62 2jts h GLN 12 Cb 0.11 0.05 -0.06 0.00 0.08 0.00 0.00 27.48 27.66 2jts h GLN 12 CO 0.01 0.89 0.44 -0.92 0.09 0.00 0.00 178.83 179.34 2jts h TYR 13 N -0.41 0.80 0.12 0.06 3.20 -1.31 -1.09 116.97 118.35 2jts h TYR 13 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jts h TYR 13 Cb 0.96 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2jts h TYR 13 CO 0.16 0.36 -0.10 1.96 -1.64 0.00 0.00 178.16 178.90 2jts h GLN 14 N 0.77 -0.22 -0.07 1.82 4.20 -1.21 -2.12 115.11 118.28 2jts h GLN 14 Ca 0.36 0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.86 2jts h GLN 14 Cb 0.26 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.11 2jts h GLN 14 CO -0.21 -0.15 -0.82 -0.56 -0.67 0.00 0.00 178.83 176.41 2jts h GLN 15 N -0.23 0.68 -1.63 1.46 3.07 -1.47 -1.55 115.11 115.44 2jts h GLN 15 Ca -0.00 -0.64 0.05 0.00 0.09 0.00 0.00 58.65 58.15 2jts h GLN 15 Cb 0.21 0.16 -0.26 0.00 0.08 0.00 0.00 27.48 27.67 2jts h GLN 15 CO -0.01 1.24 0.43 -1.83 0.09 0.00 0.00 178.83 178.75 2jts s GLU 16 N -3.50 0.53 0.08 0.06 -1.05 -0.48 -4.46 118.70 109.88 2jts s GLU 16 Ca -0.11 0.63 0.03 0.00 -0.15 0.00 0.00 54.97 55.37 2jts s GLU 16 Cb 0.07 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2jts s GLU 16 CO 0.89 -0.06 -0.09 -3.38 0.95 0.00 0.00 175.26 173.56 2jts s HIS 17 N 0.22 0.97 0.19 4.83 -3.43 0.13 -4.13 115.29 114.07 2jts s HIS 17 Ca 0.03 -0.64 -0.33 0.00 -0.80 0.00 0.00 55.06 53.32 2jts s HIS 17 Cb -0.05 -0.54 -0.13 0.00 -1.43 0.00 0.00 32.58 30.43 2jts s HIS 17 CO -0.06 -0.03 1.59 0.28 -2.00 0.00 0.00 174.74 174.52 2jts n VAL 18 N 0.72 0.19 -1.67 -5.38 0.31 -1.26 -1.28 118.33 109.96 2jts n VAL 18 Ca -0.17 -0.05 -0.46 0.00 -0.01 0.00 0.00 64.34 63.65 2jts n VAL 18 Cb 0.57 -1.65 -0.04 0.00 -0.91 0.00 0.00 33.84 31.81 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 3.27 2.36 0.00 5.55 0.00 -0.29 -1.18 117.38 127.09 2jts n GLN 19 Ca 0.15 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 58.01 2jts n GLN 19 Cb 0.31 -2.77 0.00 0.00 0.00 0.00 0.00 30.24 27.78 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 4.55 1.15 3.77 1.69 0.00 -1.26 -4.98 105.19 110.11 2jts n GLY 20 Ca 0.23 0.00 -0.31 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 -2.31 2.24 0.00 4.61 0.00 -0.33 -4.58 121.76 121.39 2jts s ALA 21 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2jts s ALA 21 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2jts s ALA 21 CO 0.00 -1.78 -0.05 0.96 0.00 0.00 0.00 175.76 174.89 2jts s ILE 22 N -2.89 0.38 -0.47 0.00 -4.36 -1.25 -4.92 121.20 107.70 2jts s ILE 22 Ca 0.61 -0.31 -0.29 0.00 -0.26 0.00 0.00 60.65 60.40 2jts s ILE 22 Cb -0.17 -0.35 0.03 0.00 1.25 0.00 0.00 42.46 43.22 2jts s ILE 22 CO 0.56 0.04 1.16 0.21 0.24 0.00 0.00 174.94 177.15 2jts s ASN 23 N -0.30 6.61 -0.51 4.36 3.84 -1.26 -1.43 114.94 126.25 2jts s ASN 23 Ca 0.00 0.51 0.05 0.00 0.21 0.00 0.00 52.86 53.63 2jts s ASN 23 Cb -0.03 -2.55 0.18 0.00 -0.55 0.00 0.00 41.25 38.31 2jts s ASN 23 CO -0.00 -1.26 0.43 -0.38 -2.79 0.00 0.00 177.10 173.10 2jts n ILE 24 N 6.85 -0.08 -1.46 -5.21 2.08 0.57 -4.99 119.36 117.12 2jts n ILE 24 Ca 0.12 -4.03 -0.37 0.00 0.56 0.00 0.00 62.75 59.03 2jts n ILE 24 Cb 0.49 -1.87 0.06 0.00 -0.75 0.00 0.00 39.64 37.56 2jts n ILE 24 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2jts n PRO 25 N 2.31 0.58 -0.34 0.38 -0.02 -1.26 -4.17 135.00 132.47 2jts n PRO 25 Ca 0.26 0.24 0.17 0.00 -2.02 0.00 0.00 63.50 62.15 2jts n PRO 25 Cb 0.44 -1.98 0.38 0.00 -0.02 0.00 0.00 33.50 32.33 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 0.08 0.68 -0.29 2.45 5.85 -1.13 0.10 115.31 123.05 2jts h LEU 26 Ca -0.47 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2jts h LEU 26 Cb 1.37 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2jts h LEU 26 CO 0.47 0.14 0.00 0.29 -0.34 0.00 0.00 178.44 179.01 2jts n LYS 27 N -4.83 0.06 0.00 1.25 4.76 -1.26 -3.41 118.16 114.73 2jts n LYS 27 Ca 0.26 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 2jts n LYS 27 Cb 0.72 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2jts n LYS 27 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jts n GLU 28 N -1.73 3.20 -0.23 1.97 1.02 0.16 -4.83 120.64 120.21 2jts n GLU 28 Ca 0.02 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.37 2jts n GLU 28 Cb 0.13 -0.55 0.56 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 0.64 -0.97 2.62 3.04 -1.05 -0.13 116.25 120.41 2jts h VAL 29 Ca 0.00 -0.11 0.16 0.00 -1.01 0.00 0.00 66.70 65.74 2jts h VAL 29 Cb 0.00 0.31 -0.09 0.00 -2.01 0.00 0.00 31.29 29.50 2jts h VAL 29 CO 0.00 0.06 0.61 0.50 -1.01 0.00 0.00 177.57 177.73 2jts h LYS 30 N 0.31 0.75 0.00 4.17 3.64 -1.87 -2.27 116.57 121.30 2jts h LYS 30 Ca 0.46 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.48 2jts h LYS 30 Cb 1.29 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 2jts h LYS 30 CO -0.15 0.50 -2.10 0.39 -2.27 0.00 0.00 179.45 175.82 2jts n GLU 31 N -4.64 0.45 0.29 1.90 1.02 -0.37 -4.58 120.64 114.71 2jts n GLU 31 Ca 0.20 0.15 0.18 0.00 -0.02 0.00 0.00 57.16 57.67 2jts n GLU 31 Cb 0.50 -1.29 0.87 0.00 -0.02 0.00 0.00 31.44 31.50 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 -0.39 0.00 -0.39 3.49 3.08 -1.12 -1.82 114.38 117.24 2jts h ARG 32 Ca -0.47 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.65 2jts h ARG 32 Cb 1.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 2jts h ARG 32 CO -0.20 0.04 0.27 0.97 -1.07 0.00 0.00 179.97 179.98 2jts h ILE 33 N 0.00 0.91 0.00 2.04 6.09 -1.63 -1.03 117.51 123.88 2jts h ILE 33 Ca -0.00 -0.07 -0.00 0.00 -1.37 0.00 0.00 64.86 63.42 2jts h ILE 33 Cb 0.30 0.69 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 2jts h ILE 33 CO 0.00 0.04 -0.01 0.00 -3.07 0.00 0.00 178.15 175.11 2jts h ALA 34 N 1.80 1.25 0.00 0.18 0.00 -1.56 0.55 119.26 121.48 2jts h ALA 34 Ca 0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2jts h ALA 34 Cb 0.44 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jts h ALA 34 CO -0.03 0.01 -1.44 0.25 0.00 0.00 0.00 179.25 178.04 2jts n THR 35 N -3.45 0.41 -0.20 0.00 -2.24 -0.96 -3.93 114.28 103.90 2jts n THR 35 Ca -0.03 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2jts n THR 35 Cb 0.09 -0.70 0.02 0.00 -2.10 0.00 0.00 70.33 67.64 2jts n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jts h ALA 36 N 0.36 0.76 -2.23 6.98 0.00 -0.90 -3.39 119.26 120.85 2jts h ALA 36 Ca -0.16 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 2jts h ALA 36 Cb 1.29 -0.21 -0.35 0.00 0.00 0.00 0.00 17.79 18.52 2jts h ALA 36 CO 0.01 0.51 -0.87 0.08 0.00 0.00 0.00 179.25 178.99 2jts s VAL 37 N -5.19 0.07 0.31 0.00 1.01 0.16 -5.02 120.40 111.74 2jts s VAL 37 Ca -0.12 -2.06 0.09 0.00 0.00 0.00 0.00 61.98 59.88 2jts s VAL 37 Cb 0.13 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.53 2jts s VAL 37 CO 0.83 -0.98 1.72 1.55 0.00 0.00 0.00 175.10 178.22 2jts h PRO 38 N 6.07 0.14 -6.13 2.72 0.13 -1.71 -3.37 132.00 129.86 2jts h PRO 38 Ca 0.17 -0.07 -0.58 0.00 -0.87 0.00 0.00 66.00 64.65 2jts h PRO 38 Cb 0.96 -0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.99 2jts h PRO 38 CO 0.29 0.55 1.24 0.34 -0.23 0.00 0.00 178.00 180.19 2jts s ASP 39 N -6.89 6.35 0.00 1.44 2.15 -1.26 -4.88 116.67 113.58 2jts s ASP 39 Ca -0.04 -1.05 0.13 0.00 0.43 0.00 0.00 52.55 52.02 2jts s ASP 39 Cb 0.14 -2.55 0.76 0.00 -0.30 0.00 0.00 42.92 40.96 2jts s ASP 39 CO 0.76 -1.62 1.20 2.29 -0.17 0.00 0.00 175.17 177.63 2jts n LYS 40 N 8.91 0.39 0.00 4.34 2.85 -1.26 -1.51 118.16 131.88 2jts n LYS 40 Ca 0.18 0.01 0.09 0.00 -1.05 0.00 0.00 58.31 57.54 2jts n LYS 40 Cb 0.50 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.31 2jts n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jts n ASN 41 N -1.02 1.11 -4.77 -5.58 2.85 -1.26 -1.16 115.26 105.44 2jts n ASN 41 Ca 0.09 -1.06 -0.36 0.00 -0.11 0.00 0.00 54.58 53.15 2jts n ASN 41 Cb 0.05 0.85 0.01 0.00 1.24 0.00 0.00 39.78 41.93 2jts n ASN 41 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jts s ASP 42 N -2.52 5.57 0.37 1.20 2.15 -0.57 -4.60 116.67 118.27 2jts s ASP 42 Ca 0.09 2.29 -0.27 0.00 0.43 0.00 0.00 52.55 55.09 2jts s ASP 42 Cb 0.14 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 40.07 2jts s ASP 42 CO 0.65 -1.33 1.33 -0.89 -0.17 0.00 0.00 175.17 174.76 2jts s THR 43 N -1.66 2.58 -0.04 1.71 2.01 -1.12 -4.72 115.64 114.39 2jts s THR 43 Ca 0.73 0.55 0.03 0.00 0.31 0.00 0.00 61.69 63.31 2jts s THR 43 Cb -0.27 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 68.90 2jts s THR 43 CO 0.31 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.53 2jts s VAL 44 N -1.20 1.06 -0.48 3.82 1.01 -0.52 -1.18 120.40 122.92 2jts s VAL 44 Ca 0.53 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2jts s VAL 44 Cb -0.40 -0.95 0.14 0.00 0.00 0.00 0.00 36.38 35.17 2jts s VAL 44 CO 0.52 0.33 0.27 -0.54 0.00 0.00 0.00 175.10 175.67 2jts s LYS 45 N 0.31 1.58 0.29 2.72 1.02 -0.27 -0.90 119.74 124.49 2jts s LYS 45 Ca -0.07 -2.30 -0.28 0.00 0.02 0.00 0.00 55.97 53.34 2jts s LYS 45 Cb -0.12 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 2jts s LYS 45 CO 0.02 -1.16 1.02 0.14 -0.92 0.00 0.00 175.35 174.45 2jts s VAL 46 N 0.02 3.81 0.15 3.17 -7.23 -0.63 -1.50 120.40 118.19 2jts s VAL 46 Ca 0.18 1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 61.96 2jts s VAL 46 Cb -0.23 -4.03 -0.01 0.00 0.56 0.00 0.00 36.38 32.68 2jts s VAL 46 CO -0.02 0.31 0.27 -0.72 -0.31 0.00 0.00 175.10 174.63 2jts s TYR 47 N -1.32 0.34 0.28 2.82 1.13 -0.61 -3.18 117.35 116.81 2jts s TYR 47 Ca 0.47 -0.72 -0.13 0.00 -1.41 0.00 0.00 57.07 55.28 2jts s TYR 47 Cb -0.26 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.55 2jts s TYR 47 CO 0.33 -0.69 0.55 0.00 -2.51 0.00 0.00 175.55 173.23 2jts h ASN 49 N 2.17 0.00 0.00 0.00 -1.24 -1.97 0.22 115.58 114.76 2jts h ASN 49 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2jts h ASN 49 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 2jts h ASN 49 CO 0.35 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.49 2jts n ALA 50 N -1.84 1.03 0.00 1.57 0.00 -1.26 -4.58 120.51 115.43 2jts n ALA 50 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2jts n ALA 50 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.06 0.99 0.28 0.00 0.00 -1.16 -4.76 105.19 100.47 2jts n GLY 51 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.35 -0.39 1.61 9.65 -1.90 -0.17 114.38 122.83 2jts h ARG 52 Ca 0.00 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2jts h ARG 52 Cb 0.00 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2jts h ARG 52 CO 0.00 -0.24 -0.07 1.96 2.80 0.00 0.00 179.97 184.43 2jts h GLN 53 N -0.37 0.66 -0.24 0.20 1.08 -1.95 -0.54 115.11 113.94 2jts h GLN 53 Ca 0.07 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 2jts h GLN 53 Cb 0.46 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2jts h GLN 53 CO -0.23 0.72 -0.27 0.66 -0.95 0.00 0.00 178.83 178.76 2jts h SER 54 N 0.61 0.48 -0.61 1.46 4.64 -1.72 -0.38 113.55 118.03 2jts h SER 54 Ca 0.12 -0.17 0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2jts h SER 54 Cb 0.48 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 2jts h SER 54 CO 0.03 0.74 0.24 1.23 -0.87 0.00 0.00 176.83 178.19 2jts h GLY 55 N 1.03 0.85 0.75 -0.77 0.00 0.49 0.53 103.07 105.94 2jts h GLY 55 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2jts h GLY 55 CO 0.05 -0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.05 2jts h GLN 56 N 0.43 0.05 -0.75 4.80 1.08 -0.85 -3.01 115.11 116.85 2jts h GLN 56 Ca 0.30 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.55 2jts h GLN 56 Cb 0.36 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 2jts h GLN 56 CO -0.29 0.31 0.49 0.00 -0.95 0.00 0.00 178.83 178.39 2jts h ALA 57 N 0.75 1.67 -0.76 3.87 0.00 -0.72 -1.40 119.26 122.67 2jts h ALA 57 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jts h ALA 57 Cb 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2jts h ALA 57 CO 0.00 0.22 0.40 -0.22 0.00 0.00 0.00 179.25 179.64 2jts h LYS 58 N 0.80 1.07 -0.19 0.00 3.11 -0.77 0.52 116.57 121.11 2jts h LYS 58 Ca 0.32 -0.14 -0.17 0.00 -2.81 0.00 0.00 60.65 57.86 2jts h LYS 58 Cb 0.24 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2jts h LYS 58 CO -0.11 0.81 -0.57 0.93 -2.81 0.00 0.00 179.45 177.70 2jts h GLU 59 N 1.05 0.58 -0.38 1.90 4.39 -1.22 -1.02 114.58 119.88 2jts h GLU 59 Ca 0.26 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2jts h GLU 59 Cb 0.07 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2jts h GLU 59 CO -0.04 0.99 0.21 0.82 -1.16 0.00 0.00 179.01 179.83 2jts h ILE 60 N 0.44 1.01 -0.54 3.13 2.04 -0.71 -0.17 117.51 122.72 2jts h ILE 60 Ca 0.00 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 2jts h ILE 60 Cb 1.12 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2jts h ILE 60 CO 0.11 0.08 0.14 -0.07 0.00 0.00 0.00 178.15 178.40 2jts h LEU 61 N 0.43 0.76 -0.73 1.44 3.38 -0.75 -0.21 115.31 119.63 2jts h LEU 61 Ca 0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jts h LEU 61 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2jts h LEU 61 CO -0.09 0.74 -0.13 0.28 0.09 0.00 0.00 178.44 179.33 2jts h SER 62 N 0.79 0.83 -0.23 -0.43 0.02 -0.71 -1.56 113.55 112.25 2jts h SER 62 Ca 0.18 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2jts h SER 62 Cb 0.28 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2jts h SER 62 CO -0.00 0.97 -0.15 -0.08 -1.14 0.00 0.00 176.83 176.43 2jts h GLU 63 N 0.74 0.65 0.00 3.45 4.57 -0.38 -1.05 114.58 122.57 2jts h GLU 63 Ca 0.12 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2jts h GLU 63 Cb 0.64 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2jts h GLU 63 CO 0.04 0.77 0.00 -1.33 -1.18 0.00 0.00 179.01 177.32 2jts n MET 64 N -4.16 0.50 -1.08 1.92 2.81 -0.15 -4.87 117.12 112.08 2jts n MET 64 Ca 0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 2jts n MET 64 Cb 0.37 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 2jts n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jts n GLY 65 N -0.01 0.59 3.73 3.03 0.00 -0.40 -5.02 105.19 107.11 2jts n GLY 65 Ca 0.12 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2jts n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jts s TYR 66 N -1.97 2.14 0.21 1.61 1.51 -0.63 -4.95 117.35 115.27 2jts s TYR 66 Ca 0.00 1.61 0.04 0.00 -1.01 0.00 0.00 57.07 57.71 2jts s TYR 66 Cb 0.00 -3.37 -0.05 0.00 -0.11 0.00 0.00 41.96 38.43 2jts s TYR 66 CO 0.00 -2.40 -0.03 0.95 -1.11 0.00 0.00 175.55 172.96 2jts s THR 67 N -2.19 1.08 -1.32 -0.71 -4.23 -0.31 -4.59 115.64 103.36 2jts s THR 67 Ca 0.71 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 2jts s THR 67 Cb -0.26 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.41 2jts s THR 67 CO 0.47 -0.44 0.43 1.41 -0.54 0.00 0.00 174.62 175.95 2jts n HIS 68 N -0.36 -1.76 -3.09 3.99 8.25 -1.26 -4.51 115.22 116.48 2jts n HIS 68 Ca -0.06 0.40 -0.36 0.00 -0.26 0.00 0.00 57.72 57.43 2jts n HIS 68 Cb 0.63 -3.33 -0.06 0.00 1.12 0.00 0.00 29.99 28.35 2jts n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jts s VAL 69 N -2.94 4.55 0.06 1.59 1.01 -1.26 -1.43 120.40 121.96 2jts s VAL 69 Ca 0.30 1.33 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 2jts s VAL 69 Cb -0.15 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2jts s VAL 69 CO 0.37 0.24 0.40 -0.70 0.00 0.00 0.00 175.10 175.41 2jts s GLU 70 N -1.90 0.94 -0.21 2.72 2.12 -0.08 -4.93 118.70 117.37 2jts s GLU 70 Ca 0.42 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.33 2jts s GLU 70 Cb -0.17 0.42 0.02 0.00 0.26 0.00 0.00 34.13 34.66 2jts s GLU 70 CO 0.21 -0.33 -0.14 1.21 -0.54 0.00 0.00 175.26 175.67 2jts s ASN 71 N -2.14 3.68 0.25 -1.70 3.04 -1.26 -1.60 114.94 115.21 2jts s ASN 71 Ca -0.04 -0.79 -0.05 0.00 0.04 0.00 0.00 52.86 52.02 2jts s ASN 71 Cb -0.00 -1.55 0.27 0.00 -1.54 0.00 0.00 41.25 38.43 2jts s ASN 71 CO -0.04 -0.06 1.87 0.00 -3.04 0.00 0.00 177.10 175.83 2jts h ALA 72 N 7.94 1.21 0.00 1.71 0.00 -1.88 -3.47 119.26 124.77 2jts h ALA 72 Ca -0.39 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jts h ALA 72 Cb 1.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jts h ALA 72 CO 0.59 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.89 2jts n GLY 73 N -1.14 1.25 0.00 0.00 0.00 -1.26 -4.91 105.19 99.13 2jts n GLY 73 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jts n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jts n GLY 74 N 0.00 0.97 0.32 -0.02 0.00 -1.26 -3.44 105.19 101.76 2jts n GLY 74 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.49 2jts n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jts h LEU 75 N 0.00 0.41 -1.03 0.99 5.85 -1.21 -1.11 115.31 119.22 2jts h LEU 75 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jts h LEU 75 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2jts h LEU 75 CO 0.00 0.28 0.38 0.11 -0.34 0.00 0.00 178.44 178.88 2jts h LYS 76 N 0.48 1.07 0.00 1.25 1.79 -1.81 -3.23 116.57 116.11 2jts h LYS 76 Ca 0.17 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2jts h LYS 76 Cb 0.11 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2jts h LYS 76 CO -0.04 0.81 -0.30 0.22 -1.08 0.00 0.00 179.45 179.06 2jts h ASP 77 N 1.07 0.26 -2.64 0.86 3.58 -1.53 -3.45 116.42 114.56 2jts h ASP 77 Ca 0.26 -0.78 -0.53 0.00 0.42 0.00 0.00 57.03 56.41 2jts h ASP 77 Cb 0.08 -0.08 0.04 0.00 1.72 0.00 0.00 39.33 41.08 2jts h ASP 77 CO -0.04 1.01 1.03 -0.63 -2.88 0.00 0.00 179.24 177.73 2jts s ILE 78 N -3.11 2.67 -0.24 2.25 1.01 -0.73 -4.89 121.20 118.17 2jts s ILE 78 Ca -0.16 0.26 0.14 0.00 0.00 0.00 0.00 60.65 60.89 2jts s ILE 78 Cb 0.01 -3.17 0.60 0.00 0.01 0.00 0.00 42.46 39.92 2jts s ILE 78 CO 0.75 0.00 1.55 0.00 0.00 0.00 0.00 174.94 177.24 2jts n ALA 79 N 5.23 3.64 -1.53 9.38 0.00 -1.26 -4.96 120.51 131.01 2jts n ALA 79 Ca 0.16 -2.42 -0.31 0.00 0.00 0.00 0.00 53.44 50.87 2jts n ALA 79 Cb 0.39 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.93 2.89 0.79 0.00 -1.94 -1.26 -5.05 119.30 111.80 2jts s MET 80 Ca 0.47 1.07 -0.15 0.00 -1.71 0.00 0.00 55.69 55.36 2jts s MET 80 Cb 0.38 -1.98 -0.00 0.00 2.01 0.00 0.00 34.83 35.24 2jts s MET 80 CO 0.09 -1.15 0.60 -2.30 -0.01 0.00 0.00 175.02 172.25 2jts n PRO 81 N -2.94 0.15 -4.02 2.03 -0.02 -1.26 -4.85 135.00 124.09 2jts n PRO 81 Ca 0.08 0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.55 2jts n PRO 81 Cb 0.53 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 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 -3.17 0.40 0.04 -0.52 1.02 -1.26 -1.13 119.74 115.12 2jts s LYS 82 Ca 0.65 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 2jts s LYS 82 Cb -0.31 -0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 2jts s LYS 82 CO 0.59 0.00 0.10 0.14 -0.92 0.00 0.00 175.35 175.26 2jts s VAL 83 N -1.34 0.13 0.57 3.17 -7.23 -0.40 -4.88 120.40 110.42 2jts s VAL 83 Ca -0.12 -1.10 -0.18 0.00 -1.81 0.00 0.00 61.98 58.77 2jts s VAL 83 Cb -0.09 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2jts s VAL 83 CO -0.00 -0.61 1.12 -0.54 -0.31 0.00 0.00 175.10 174.76 2jts s LYS 84 N -2.63 3.22 0.00 4.82 3.01 -1.26 -0.69 119.74 126.21 2jts s LYS 84 Ca -0.05 1.52 0.00 0.00 -1.01 0.00 0.00 55.97 56.44 2jts s LYS 84 Cb -0.01 -2.00 0.00 0.00 -1.01 0.00 0.00 37.83 34.81 2jts s LYS 84 CO -0.05 -0.94 0.47 0.41 0.51 0.00 0.00 175.35 175.75