#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 1.13 0.53 0.00 1.03 -1.26 -4.66 118.70 115.47 2jts s GLU 2 Ca 0.00 -0.23 -0.11 0.00 0.03 0.00 0.00 54.97 54.66 2jts s GLU 2 Cb 0.00 0.52 -0.05 0.00 -0.80 0.00 0.00 34.13 33.80 2jts s GLU 2 CO 0.00 -0.46 0.92 -1.01 -1.33 0.00 0.00 175.26 173.38 2jts s HIS 3 N -2.88 3.55 0.00 4.83 3.76 -0.66 -4.94 115.29 118.96 2jts s HIS 3 Ca -0.02 1.17 0.03 0.00 -0.15 0.00 0.00 55.06 56.09 2jts s HIS 3 Cb -0.01 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 2jts s HIS 3 CO -0.06 -0.43 -0.10 -1.58 -0.85 0.00 0.00 174.74 171.71 2jts s TRP 4 N -2.83 0.93 -0.01 1.40 0.52 -1.26 -0.66 118.94 117.03 2jts s TRP 4 Ca 0.53 -0.22 0.00 0.00 0.02 0.00 0.00 56.10 56.43 2jts s TRP 4 Cb -0.10 -0.59 0.01 0.00 -1.15 0.00 0.00 33.47 31.64 2jts s TRP 4 CO 0.44 -0.01 0.01 0.42 0.02 0.00 0.00 176.95 177.83 2jts s ILE 5 N -0.41 -0.01 -0.24 2.03 1.09 -0.66 -3.02 121.20 119.99 2jts s ILE 5 Ca 0.03 0.07 -0.16 0.00 -1.10 0.00 0.00 60.65 59.48 2jts s ILE 5 Cb -0.05 -0.05 -0.03 0.00 -1.06 0.00 0.00 42.46 41.27 2jts s ILE 5 CO -0.00 0.04 0.44 -0.62 -0.10 0.00 0.00 174.94 174.69 2jts s ASP 6 N 0.39 6.40 -0.20 3.58 -1.08 -0.05 -2.08 116.67 123.62 2jts s ASP 6 Ca -0.03 0.47 0.16 0.00 -0.52 0.00 0.00 52.55 52.63 2jts s ASP 6 Cb -0.05 -2.25 0.62 0.00 -1.46 0.00 0.00 42.92 39.79 2jts s ASP 6 CO -0.01 -0.18 1.53 1.33 0.52 0.00 0.00 175.17 178.36 2jts n VAL 7 N 4.80 2.45 -2.76 1.11 0.24 -0.29 -0.58 118.33 123.30 2jts n VAL 7 Ca -0.07 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 2jts n VAL 7 Cb 0.51 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.18 2.91 -2.12 7.34 0.63 -1.26 -0.91 116.66 123.07 2jts n ARG 8 Ca 0.24 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.85 2jts n ARG 8 Cb 1.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.90 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 1.10 4.32 0.62 5.15 -7.23 -1.26 -4.03 120.40 119.07 2jts s VAL 9 Ca 0.00 1.00 0.28 0.00 -1.81 0.00 0.00 61.98 61.46 2jts s VAL 9 Cb 0.00 -3.63 0.34 0.00 0.56 0.00 0.00 36.38 33.66 2jts s VAL 9 CO 0.00 -0.74 1.88 -0.65 -0.31 0.00 0.00 175.10 175.28 2jts h PRO 10 N 0.39 0.00 -0.06 4.82 0.11 -1.98 -2.95 132.00 132.33 2jts h PRO 10 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2jts h PRO 10 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jts h PRO 10 CO 0.60 0.00 0.06 0.93 -0.21 0.00 0.00 178.00 179.38 2jts h GLU 11 N 0.00 0.00 0.00 1.05 5.08 -2.00 0.34 114.58 119.05 2jts h GLU 11 Ca 0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2jts h GLU 11 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2jts h GLU 11 CO -0.00 0.00 -0.73 -0.56 -1.00 0.00 0.00 179.01 176.72 2jts h GLN 12 N 0.00 0.00 -0.93 2.33 3.07 -1.84 -3.39 115.11 114.35 2jts h GLN 12 Ca 0.03 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.93 2jts h GLN 12 Cb 0.16 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.64 2jts h GLN 12 CO -0.00 0.87 0.60 -0.92 0.09 0.00 0.00 178.83 179.46 2jts h TYR 13 N -1.00 0.88 -0.26 0.06 5.03 -1.29 -0.47 116.97 119.91 2jts h TYR 13 Ca -0.19 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.10 2jts h TYR 13 Cb 1.07 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 2jts h TYR 13 CO 0.13 0.29 -0.02 1.96 -1.32 0.00 0.00 178.16 179.19 2jts h GLN 14 N 0.71 0.47 -0.00 1.82 1.08 -1.21 -3.19 115.11 114.79 2jts h GLN 14 Ca 0.49 -0.16 -0.16 0.00 -1.45 0.00 0.00 58.65 57.36 2jts h GLN 14 Cb 0.79 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 2jts h GLN 14 CO -0.24 0.65 -0.78 -0.56 -0.95 0.00 0.00 178.83 176.95 2jts h GLN 15 N 0.24 0.03 -1.42 1.46 3.07 -1.34 -0.72 115.11 116.43 2jts h GLN 15 Ca 0.07 -0.03 0.18 0.00 0.09 0.00 0.00 58.65 58.97 2jts h GLN 15 Cb 0.45 0.01 -0.23 0.00 0.08 0.00 0.00 27.48 27.79 2jts h GLN 15 CO 0.02 0.79 0.75 -1.83 0.09 0.00 0.00 178.83 178.64 2jts s GLU 16 N -3.26 0.35 -0.03 0.06 -1.05 -0.37 -4.72 118.70 109.69 2jts s GLU 16 Ca -0.01 0.00 -0.09 0.00 -0.15 0.00 0.00 54.97 54.73 2jts s GLU 16 Cb 0.11 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2jts s GLU 16 CO 0.79 -0.13 0.20 -3.38 0.95 0.00 0.00 175.26 173.69 2jts s HIS 17 N -1.56 -0.09 0.25 4.83 -3.43 -0.06 -3.42 115.29 111.81 2jts s HIS 17 Ca 0.05 0.18 -0.31 0.00 -0.80 0.00 0.00 55.06 54.19 2jts s HIS 17 Cb -0.01 0.02 -0.12 0.00 -1.43 0.00 0.00 32.58 31.05 2jts s HIS 17 CO -0.04 -0.25 1.66 0.08 -2.00 0.00 0.00 174.74 174.20 2jts s VAL 18 N -0.86 2.02 0.61 -5.38 1.01 -1.26 -0.69 120.40 115.85 2jts s VAL 18 Ca -0.09 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2jts s VAL 18 Cb -0.05 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2jts s VAL 18 CO 0.02 0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.18 2jts n GLN 19 N 3.04 0.99 0.00 2.72 -0.00 -0.85 -3.09 117.38 120.19 2jts n GLN 19 Ca 0.12 0.38 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 2jts n GLN 19 Cb 0.36 -2.27 0.00 0.00 -0.00 0.00 0.00 30.24 28.33 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 1.18 2.68 3.63 2.61 0.00 -1.26 -5.03 105.19 109.00 2jts n GLY 20 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.14 0.66 -0.02 4.61 0.00 -1.18 -4.36 121.76 119.33 2jts s ALA 21 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2jts s ALA 21 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2jts s ALA 21 CO 0.00 -3.15 -0.04 0.42 0.00 0.00 0.00 175.76 172.99 2jts s ILE 22 N -2.91 0.45 -0.26 0.00 1.01 -1.17 -4.92 121.20 113.40 2jts s ILE 22 Ca 0.67 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.88 2jts s ILE 22 Cb -0.18 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 2jts s ILE 22 CO 0.58 0.17 1.39 0.21 0.00 0.00 0.00 174.94 177.29 2jts s ASN 23 N 0.47 6.62 -0.37 3.58 3.84 -1.26 -0.88 114.94 126.94 2jts s ASN 23 Ca -0.06 1.39 0.01 0.00 0.21 0.00 0.00 52.86 54.42 2jts s ASN 23 Cb -0.09 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.22 2jts s ASN 23 CO -0.00 -1.09 0.27 -0.63 -2.79 0.00 0.00 177.10 172.86 2jts s ILE 24 N 4.49 0.10 0.57 -5.21 1.01 0.25 -4.96 121.20 117.46 2jts s ILE 24 Ca 0.60 -1.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2jts s ILE 24 Cb -0.20 -1.07 -0.08 0.00 0.01 0.00 0.00 42.46 41.12 2jts s ILE 24 CO 0.24 -0.98 0.61 -2.65 0.00 0.00 0.00 174.94 172.16 2jts n PRO 25 N 3.77 0.59 -0.33 2.79 -0.02 -1.26 -4.20 135.00 136.34 2jts n PRO 25 Ca 0.16 0.23 0.24 0.00 -2.02 0.00 0.00 63.50 62.11 2jts n PRO 25 Cb 0.41 -1.79 0.52 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.30 0.43 -2.38 2.45 5.85 -1.29 0.48 115.31 121.15 2jts h LEU 26 Ca -0.46 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2jts h LEU 26 Cb 1.39 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 2jts h LEU 26 CO 0.48 0.07 -0.01 0.11 -0.34 0.00 0.00 178.44 178.75 2jts h LYS 27 N 0.37 0.00 0.00 1.25 1.57 -1.89 -3.27 116.57 114.60 2jts h LYS 27 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2jts h LYS 27 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 2jts h LYS 27 CO -0.31 0.01 -0.07 0.39 -0.57 0.00 0.00 179.45 178.90 2jts n GLU 28 N -3.14 3.62 -0.28 3.15 1.02 0.01 -4.74 120.64 120.29 2jts n GLU 28 Ca -0.02 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.35 2jts n GLU 28 Cb 0.16 -0.33 0.55 0.00 -0.02 0.00 0.00 31.44 31.80 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 0.58 -0.77 2.62 3.04 -1.19 -1.20 116.25 119.32 2jts h VAL 29 Ca 0.00 -0.11 0.17 0.00 -1.01 0.00 0.00 66.70 65.74 2jts h VAL 29 Cb 0.00 0.22 -0.05 0.00 -2.01 0.00 0.00 31.29 29.45 2jts h VAL 29 CO 0.00 0.06 0.52 0.50 -1.01 0.00 0.00 177.57 177.64 2jts h LYS 30 N 0.33 0.35 0.00 4.17 3.64 -1.85 -2.02 116.57 121.18 2jts h LYS 30 Ca 0.53 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.76 2jts h LYS 30 Cb 1.47 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 2jts h LYS 30 CO -0.20 0.23 -1.47 -0.85 -2.27 0.00 0.00 179.45 174.90 2jts n GLU 31 N -4.47 1.10 0.16 1.90 0.28 -0.78 -4.62 120.64 114.22 2jts n GLU 31 Ca 0.15 0.03 0.13 0.00 -0.16 0.00 0.00 57.16 57.31 2jts n GLU 31 Cb 0.59 -1.17 0.54 0.00 1.43 0.00 0.00 31.44 32.84 2jts n GLU 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jts h ARG 32 N 0.00 0.00 -0.88 3.44 3.08 -1.23 -1.96 114.38 116.84 2jts h ARG 32 Ca -0.18 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.05 2jts h ARG 32 Cb 1.33 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.31 2jts h ARG 32 CO -0.02 0.00 0.58 0.97 -1.07 0.00 0.00 179.97 180.43 2jts h ILE 33 N 0.00 0.72 -0.73 2.04 6.09 -1.60 -1.65 117.51 122.38 2jts h ILE 33 Ca 0.00 -0.16 -0.04 0.00 -1.37 0.00 0.00 64.86 63.29 2jts h ILE 33 Cb 0.36 0.22 -0.03 0.00 0.47 0.00 0.00 36.82 37.84 2jts h ILE 33 CO 0.00 0.08 0.31 0.00 -3.07 0.00 0.00 178.15 175.48 2jts h ALA 34 N 1.62 0.95 -0.00 0.18 0.00 -1.59 0.18 119.26 120.59 2jts h ALA 34 Ca 0.45 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.96 2jts h ALA 34 Cb 1.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jts h ALA 34 CO -0.18 0.55 -0.94 1.79 0.00 0.00 0.00 179.25 180.47 2jts h THR 35 N 1.04 1.40 -0.22 0.00 1.35 -1.67 -3.15 112.91 111.66 2jts h THR 35 Ca 0.25 -2.44 -0.14 0.00 -0.55 0.00 0.00 66.41 63.53 2jts h THR 35 Cb 0.18 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2jts h THR 35 CO -0.02 0.73 -0.43 0.00 -0.25 0.00 0.00 175.52 175.54 2jts h ALA 36 N 0.73 0.83 -2.37 6.62 0.00 -0.80 -3.40 119.26 120.88 2jts h ALA 36 Ca -0.08 -0.45 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 2jts h ALA 36 Cb 1.58 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 18.89 2jts h ALA 36 CO 0.16 0.65 -0.93 0.08 0.00 0.00 0.00 179.25 179.21 2jts s VAL 37 N -4.19 0.24 -2.00 0.00 1.01 0.58 -5.01 120.40 111.03 2jts s VAL 37 Ca -0.07 -2.36 0.14 0.00 0.00 0.00 0.00 61.98 59.68 2jts s VAL 37 Cb 0.12 -1.18 0.38 0.00 0.00 0.00 0.00 36.38 35.71 2jts s VAL 37 CO 0.82 -1.14 1.30 -0.81 0.00 0.00 0.00 175.10 175.27 2jts n PRO 38 N 3.14 0.67 -3.71 2.72 -0.04 -1.19 -4.23 135.00 132.37 2jts n PRO 38 Ca 0.25 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.42 2jts n PRO 38 Cb 0.46 -1.31 -0.16 0.00 -0.04 0.00 0.00 33.50 32.45 2jts n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jts s ASP 39 N -1.75 3.54 0.37 3.54 2.15 -1.26 -5.03 116.67 118.23 2jts s ASP 39 Ca 0.20 -1.28 0.26 0.00 0.43 0.00 0.00 52.55 52.17 2jts s ASP 39 Cb 0.09 -0.69 1.33 0.00 -0.30 0.00 0.00 42.92 43.35 2jts s ASP 39 CO 0.16 -0.38 1.79 0.07 -0.17 0.00 0.00 175.17 176.64 2jts h LYS 40 N 8.19 0.00 0.00 4.34 5.09 -1.98 -1.47 116.57 130.74 2jts h LYS 40 Ca -0.16 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.53 2jts h LYS 40 Cb 1.05 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.38 2jts h LYS 40 CO 0.42 0.00 -0.26 -0.97 -2.09 0.00 0.00 179.45 176.55 2jts h ASN 41 N 0.00 0.00 -4.19 7.07 -0.73 -1.94 -2.55 115.58 113.24 2jts h ASN 41 Ca 0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 2jts h ASN 41 Cb 0.10 0.00 0.15 0.00 0.27 0.00 0.00 38.32 38.84 2jts h ASN 41 CO 0.00 0.26 0.38 -0.62 -0.37 0.00 0.00 177.43 177.08 2jts s ASP 42 N -6.30 4.28 0.35 1.15 2.15 -0.56 -4.46 116.67 113.28 2jts s ASP 42 Ca -0.01 2.28 -0.27 0.00 0.43 0.00 0.00 52.55 54.98 2jts s ASP 42 Cb 0.11 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 40.06 2jts s ASP 42 CO 0.65 -2.20 1.11 -0.89 -0.17 0.00 0.00 175.17 173.67 2jts s THR 43 N -2.10 3.42 0.00 1.71 2.01 -1.26 -4.18 115.64 115.24 2jts s THR 43 Ca 0.72 1.27 0.01 0.00 0.31 0.00 0.00 61.69 64.01 2jts s THR 43 Cb -0.27 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 2jts s THR 43 CO 0.45 0.19 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 2jts s VAL 44 N -1.36 0.19 -0.02 3.82 1.01 -0.47 -1.65 120.40 121.92 2jts s VAL 44 Ca 0.52 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.42 2jts s VAL 44 Cb -0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 2jts s VAL 44 CO 0.37 0.02 -0.25 -0.54 0.00 0.00 0.00 175.10 174.70 2jts s LYS 45 N -0.14 2.05 0.03 2.72 1.02 0.16 -0.96 119.74 124.62 2jts s LYS 45 Ca 0.00 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.15 2jts s LYS 45 Cb -0.01 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.30 2jts s LYS 45 CO -0.00 0.54 -0.17 0.14 -0.92 0.00 0.00 175.35 174.93 2jts s VAL 46 N -0.58 1.39 0.08 3.17 -7.23 -0.77 -1.65 120.40 114.81 2jts s VAL 46 Ca 0.09 -1.05 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2jts s VAL 46 Cb -0.10 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 2jts s VAL 46 CO -0.01 0.14 0.09 -0.72 -0.31 0.00 0.00 175.10 174.30 2jts s TYR 47 N -0.76 0.37 0.00 2.82 -0.85 -0.88 -0.83 117.35 117.21 2jts s TYR 47 Ca 0.05 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 55.76 2jts s TYR 47 Cb -0.08 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.03 2jts s TYR 47 CO 0.01 -0.48 0.00 0.00 -1.52 0.00 0.00 175.55 173.56 2jts h ASN 49 N 0.00 0.41 0.00 0.00 -0.73 -1.92 0.17 115.58 113.51 2jts h ASN 49 Ca 0.00 -0.95 0.00 0.00 1.87 0.00 0.00 56.30 57.22 2jts h ASN 49 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.46 2jts h ASN 49 CO 0.00 1.37 -0.66 0.00 -0.37 0.00 0.00 177.43 177.77 2jts n ALA 50 N -2.69 1.53 0.00 1.57 0.00 -1.26 -1.75 120.51 117.91 2jts n ALA 50 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2jts n ALA 50 Cb 0.79 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 1.96 1.45 0.20 0.00 0.00 -1.26 -3.62 105.19 103.92 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 0.07 0.00 0.00 0.00 173.32 173.39 2jts h ARG 52 N 0.00 0.63 -0.11 1.61 0.11 -1.98 -0.78 114.38 113.87 2jts h ARG 52 Ca 0.00 -0.20 -0.13 0.00 0.10 0.00 0.00 59.98 59.76 2jts h ARG 52 Cb 0.00 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 2jts h ARG 52 CO 0.00 0.74 -0.49 1.96 0.10 0.00 0.00 179.97 182.28 2jts h GLN 53 N 0.45 0.28 -0.17 0.08 4.20 -1.95 -0.15 115.11 117.84 2jts h GLN 53 Ca 0.10 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2jts h GLN 53 Cb 0.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2jts h GLN 53 CO 0.02 0.71 -0.33 0.66 -0.67 0.00 0.00 178.83 179.22 2jts h SER 54 N 0.23 0.35 -0.27 1.46 4.64 -1.83 0.08 113.55 118.21 2jts h SER 54 Ca 0.01 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.25 2jts h SER 54 Cb 0.94 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.89 2jts h SER 54 CO 0.08 0.67 0.01 1.23 -0.87 0.00 0.00 176.83 177.94 2jts h GLY 55 N 1.09 0.27 0.99 -0.77 0.00 -0.05 0.57 103.07 105.17 2jts h GLY 55 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jts h GLY 55 CO 0.06 -0.05 0.19 1.46 0.00 0.00 0.00 176.54 178.20 2jts h GLN 56 N 0.09 0.41 -0.69 4.80 4.20 -0.68 -1.69 115.11 121.55 2jts h GLN 56 Ca 0.13 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2jts h GLN 56 Cb 0.16 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2jts h GLN 56 CO -0.21 0.29 0.46 0.00 -0.67 0.00 0.00 178.83 178.70 2jts h ALA 57 N 1.09 1.59 -0.48 3.87 0.00 -0.68 -0.23 119.26 124.41 2jts h ALA 57 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2jts h ALA 57 Cb -0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2jts h ALA 57 CO -0.02 0.35 0.06 -0.22 0.00 0.00 0.00 179.25 179.42 2jts h LYS 58 N 0.85 0.81 -0.59 0.00 3.11 -0.23 -0.63 116.57 119.89 2jts h LYS 58 Ca 0.27 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 2jts h LYS 58 Cb 0.03 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.14 2jts h LYS 58 CO -0.07 0.82 0.21 0.93 -2.81 0.00 0.00 179.45 178.53 2jts h GLU 59 N 0.67 0.91 -0.11 1.90 5.08 -0.45 0.31 114.58 122.89 2jts h GLU 59 Ca 0.14 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2jts h GLU 59 Cb 0.42 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2jts h GLU 59 CO 0.01 0.80 -0.11 0.82 -1.00 0.00 0.00 179.01 179.53 2jts h ILE 60 N 0.83 0.70 0.00 3.13 2.04 -0.80 -1.13 117.51 122.28 2jts h ILE 60 Ca 0.19 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.99 2jts h ILE 60 Cb 0.25 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jts h ILE 60 CO -0.01 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.75 2jts h LEU 61 N -0.13 0.00 -0.62 1.44 3.38 -0.85 -0.69 115.31 117.84 2jts h LEU 61 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2jts h LEU 61 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jts h LEU 61 CO -0.19 0.32 -0.15 0.28 0.09 0.00 0.00 178.44 178.78 2jts h SER 62 N 0.00 0.94 -0.29 -0.43 0.02 -0.62 -1.04 113.55 112.12 2jts h SER 62 Ca -0.00 -0.32 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 2jts h SER 62 Cb 0.94 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2jts h SER 62 CO 0.04 1.08 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.55 2jts h GLU 63 N 0.82 0.75 0.00 3.45 4.81 -0.50 -1.23 114.58 122.69 2jts h GLU 63 Ca 0.12 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2jts h GLU 63 Cb 0.70 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2jts h GLU 63 CO 0.05 0.88 0.00 -1.33 -0.73 0.00 0.00 179.01 177.89 2jts n MET 64 N -4.13 0.11 -0.71 1.92 2.81 -0.33 -4.90 117.12 111.89 2jts n MET 64 Ca 0.01 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 2jts n MET 64 Cb 0.41 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.36 0.61 3.68 3.03 0.00 -0.46 -5.02 105.19 106.67 2jts n GLY 65 Ca 0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 2.09 0.34 1.61 1.51 -0.51 -4.90 117.35 115.48 2jts s TYR 66 Ca 0.00 0.13 0.10 0.00 -1.01 0.00 0.00 57.07 56.29 2jts s TYR 66 Cb 0.00 -4.02 0.61 0.00 -0.11 0.00 0.00 41.96 38.44 2jts s TYR 66 CO 0.00 -4.23 1.77 1.15 -1.11 0.00 0.00 175.55 173.13 2jts h THR 67 N 5.14 1.29 -0.63 -0.71 2.02 -1.74 -3.36 112.91 114.93 2jts h THR 67 Ca -0.43 -1.40 -0.30 0.00 0.77 0.00 0.00 66.41 65.05 2jts h THR 67 Cb 1.20 1.70 -0.40 0.00 -1.74 0.00 0.00 68.15 68.91 2jts h THR 67 CO 0.94 0.41 -1.11 1.41 0.37 0.00 0.00 175.52 177.53 2jts n HIS 68 N -4.06 1.38 -2.74 3.16 8.25 -1.26 -5.08 115.22 114.88 2jts n HIS 68 Ca -0.02 -2.34 -0.36 0.00 -0.26 0.00 0.00 57.72 54.75 2jts n HIS 68 Cb 0.44 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 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 -3.72 4.15 -0.04 1.59 1.01 -1.26 -1.37 120.40 120.77 2jts s VAL 69 Ca 0.29 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.83 2jts s VAL 69 Cb 0.36 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2jts s VAL 69 CO -0.02 -0.04 0.10 -0.70 0.00 0.00 0.00 175.10 174.44 2jts s GLU 70 N -2.54 0.10 -0.35 2.72 2.12 -0.13 -4.92 118.70 115.70 2jts s GLU 70 Ca 0.56 0.18 -0.29 0.00 0.36 0.00 0.00 54.97 55.78 2jts s GLU 70 Cb -0.16 -0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.24 2jts s GLU 70 CO 0.21 -0.05 1.17 1.21 -0.54 0.00 0.00 175.26 177.27 2jts s ASN 71 N 0.30 6.76 0.29 -1.70 2.47 -1.26 -1.85 114.94 119.95 2jts s ASN 71 Ca -0.02 0.96 0.12 0.00 0.42 0.00 0.00 52.86 54.34 2jts s ASN 71 Cb -0.03 -2.54 0.42 0.00 -1.45 0.00 0.00 41.25 37.64 2jts s ASN 71 CO -0.01 -1.05 1.64 0.00 -3.72 0.00 0.00 177.10 173.96 2jts h ALA 72 N 8.81 0.99 0.00 1.71 0.00 -1.34 -3.47 119.26 125.96 2jts h ALA 72 Ca -0.23 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2jts h ALA 72 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jts h ALA 72 CO 1.06 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.43 2jts n GLY 73 N 0.22 0.47 3.52 0.00 0.00 -1.25 -4.79 105.19 103.37 2jts n GLY 73 Ca -0.01 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 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 2.23 0.51 -0.02 0.00 -1.24 -3.46 107.32 105.34 2jts s GLY 74 Ca 0.00 -2.15 0.25 0.00 0.00 0.00 0.00 44.72 42.83 2jts s GLY 74 CO 0.00 -1.95 2.05 -2.00 0.00 0.00 0.00 173.10 171.20 2jts h LEU 75 N 1.99 0.00 0.00 0.66 5.85 0.07 0.12 115.31 124.00 2jts h LEU 75 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2jts h LEU 75 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2jts h LEU 75 CO 0.74 0.14 0.00 2.29 -0.34 0.00 0.00 178.44 181.27 2jts n LYS 76 N -3.72 0.36 0.00 1.25 2.85 -0.72 -4.29 118.16 113.89 2jts n LYS 76 Ca -0.02 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2jts n LYS 76 Cb 0.25 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.30 3.91 -4.74 -5.58 2.03 0.06 -5.01 116.55 105.92 2jts n ASP 77 Ca 0.13 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.05 2jts n ASP 77 Cb 0.23 0.21 0.04 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.09 3.79 -3.25 5.18 5.41 0.21 -4.91 119.36 123.70 2jts n ILE 78 Ca 0.00 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 63.00 2jts n ILE 78 Cb 0.44 -1.66 -0.06 0.00 -0.71 0.00 0.00 39.64 37.64 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 -1.02 3.48 -2.17 -1.39 0.00 -1.26 -4.95 120.51 113.19 2jts n ALA 79 Ca 0.10 -4.22 -0.10 0.00 0.00 0.00 0.00 53.44 49.22 2jts n ALA 79 Cb 0.44 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 2jts n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jts s MET 80 N -2.28 0.98 0.52 0.00 0.23 -1.26 -5.15 119.30 112.33 2jts s MET 80 Ca 0.40 -1.46 -0.21 0.00 -1.03 0.00 0.00 55.69 53.39 2jts s MET 80 Cb 0.20 0.25 -0.08 0.00 -1.53 0.00 0.00 34.83 33.67 2jts s MET 80 CO -0.07 -0.29 0.90 -2.30 -2.03 0.00 0.00 175.02 171.24 2jts n PRO 81 N -0.13 1.02 -4.45 3.16 -0.02 -1.26 -4.87 135.00 128.45 2jts n PRO 81 Ca -0.04 0.38 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 2jts n PRO 81 Cb 0.64 -2.02 -0.10 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 -2.30 1.64 0.11 -0.52 1.02 -1.26 -2.01 119.74 116.41 2jts s LYS 82 Ca 0.69 -1.75 0.05 0.00 0.02 0.00 0.00 55.97 54.98 2jts s LYS 82 Cb -0.48 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2jts s LYS 82 CO 0.53 0.31 -0.11 0.08 -0.92 0.00 0.00 175.35 175.23 2jts s VAL 83 N -2.57 1.11 0.08 3.17 1.01 0.13 -4.83 120.40 118.51 2jts s VAL 83 Ca 0.29 -1.73 0.03 0.00 0.00 0.00 0.00 61.98 60.56 2jts s VAL 83 Cb -0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2jts s VAL 83 CO 0.14 -0.54 -0.08 -0.54 0.00 0.00 0.00 175.10 174.08 2jts s LYS 84 N -2.90 0.76 0.00 2.72 1.02 -1.26 -0.89 119.74 119.20 2jts s LYS 84 Ca 0.08 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.94 2jts s LYS 84 Cb -0.03 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 2jts s LYS 84 CO 0.01 0.03 0.44 0.41 -0.92 0.00 0.00 175.35 175.33