#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 0.62 -0.14 0.00 8.01 -1.26 -0.94 118.70 124.99 2jts s GLU 2 Ca 0.00 -1.14 -0.06 0.00 0.01 0.00 0.00 54.97 53.78 2jts s GLU 2 Cb 0.00 0.06 0.06 0.00 -4.31 0.00 0.00 34.13 29.94 2jts s GLU 2 CO 0.00 -0.07 0.31 -1.58 0.01 0.00 0.00 175.26 173.93 2jts s HIS 3 N -3.35 -0.47 0.34 1.61 2.46 -0.58 -4.86 115.29 110.45 2jts s HIS 3 Ca 0.04 1.03 -0.26 0.00 0.47 0.00 0.00 55.06 56.34 2jts s HIS 3 Cb 0.04 0.11 -0.09 0.00 -0.13 0.00 0.00 32.58 32.50 2jts s HIS 3 CO -0.07 -0.31 1.04 -1.58 -2.47 0.00 0.00 174.74 171.35 2jts s TRP 4 N 1.70 3.48 -0.03 3.88 0.51 -1.26 -0.74 118.94 126.47 2jts s TRP 4 Ca -0.06 1.70 -0.00 0.00 -2.12 0.00 0.00 56.10 55.62 2jts s TRP 4 Cb -0.10 -3.12 0.03 0.00 -0.81 0.00 0.00 33.47 29.46 2jts s TRP 4 CO -0.10 -0.38 0.05 0.42 -0.51 0.00 0.00 176.95 176.42 2jts s ILE 5 N -1.48 -0.07 -0.15 2.03 -1.09 -0.60 -3.94 121.20 115.91 2jts s ILE 5 Ca 0.52 0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 58.93 2jts s ILE 5 Cb -0.24 -0.10 -0.02 0.00 -1.58 0.00 0.00 42.46 40.51 2jts s ILE 5 CO 0.31 0.10 0.80 -0.62 -1.23 0.00 0.00 174.94 174.30 2jts s ASP 6 N 1.20 6.96 -0.10 3.58 2.15 -0.30 -1.40 116.67 128.77 2jts s ASP 6 Ca -0.08 1.17 0.13 0.00 0.43 0.00 0.00 52.55 54.20 2jts s ASP 6 Cb -0.13 -2.44 0.30 0.00 -0.30 0.00 0.00 42.92 40.35 2jts s ASP 6 CO -0.03 -0.34 1.21 1.33 -0.17 0.00 0.00 175.17 177.17 2jts n VAL 7 N 4.54 1.68 -2.26 1.11 0.24 -0.51 -0.29 118.33 122.84 2jts n VAL 7 Ca 0.03 -1.70 -0.16 0.00 -2.04 0.00 0.00 64.34 60.48 2jts n VAL 7 Cb 0.49 0.03 0.09 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.68 -0.08 -1.49 7.34 0.63 -1.26 -0.53 116.66 120.59 2jts n ARG 8 Ca 0.13 -1.63 -0.34 0.00 -0.92 0.00 0.00 57.85 55.10 2jts n ARG 8 Cb 0.60 -0.53 0.08 0.00 0.45 0.00 0.00 32.46 33.06 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 -2.10 2.49 -0.57 5.15 -7.23 -1.26 -3.93 120.40 112.94 2jts s VAL 9 Ca 0.43 0.24 0.16 0.00 -1.81 0.00 0.00 61.98 61.01 2jts s VAL 9 Cb -0.02 -2.79 0.16 0.00 0.56 0.00 0.00 36.38 34.29 2jts s VAL 9 CO 0.29 -0.13 1.50 -0.81 -0.31 0.00 0.00 175.10 175.64 2jts n PRO 10 N -2.67 0.10 -0.27 4.82 -0.04 -1.26 -3.05 135.00 132.63 2jts n PRO 10 Ca 0.13 0.49 0.07 0.00 -0.04 0.00 0.00 63.50 64.15 2jts n PRO 10 Cb 0.51 -1.77 0.31 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.84 -0.39 0.54 5.08 -2.01 -0.87 114.58 117.76 2jts h GLU 11 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2jts h GLU 11 Cb 0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jts h GLU 11 CO 0.00 0.55 -0.03 -0.56 -1.00 0.00 0.00 179.01 177.97 2jts h GLN 12 N 0.86 0.72 -0.27 2.33 3.07 -1.88 -3.17 115.11 116.78 2jts h GLN 12 Ca 0.40 -0.25 0.07 0.00 0.09 0.00 0.00 58.65 58.96 2jts h GLN 12 Cb 0.41 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 2jts h GLN 12 CO -0.17 0.83 0.19 -0.92 0.09 0.00 0.00 178.83 178.84 2jts h TYR 13 N 0.54 0.06 0.06 0.06 3.20 -1.29 -1.11 116.97 118.48 2jts h TYR 13 Ca 0.11 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2jts h TYR 13 Cb 0.53 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2jts h TYR 13 CO 0.04 0.03 -0.03 1.96 -1.64 0.00 0.00 178.16 178.53 2jts h GLN 14 N 0.06 -0.07 -0.00 1.82 1.08 -1.42 -2.74 115.11 113.83 2jts h GLN 14 Ca 0.12 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2jts h GLN 14 Cb 0.42 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2jts h GLN 14 CO -0.01 0.22 -0.01 -0.56 -0.95 0.00 0.00 178.83 177.53 2jts h GLN 15 N -0.37 0.01 -1.93 1.46 3.07 -1.32 -0.60 115.11 115.43 2jts h GLN 15 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2jts h GLN 15 Cb 0.33 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 27.69 2jts h GLN 15 CO 0.01 0.56 0.31 -1.83 0.09 0.00 0.00 178.83 177.97 2jts s GLU 16 N -4.01 0.92 0.05 0.06 1.03 -0.55 -4.19 118.70 112.00 2jts s GLU 16 Ca -0.16 0.17 -0.00 0.00 0.03 0.00 0.00 54.97 55.01 2jts s GLU 16 Cb 0.01 0.43 -0.03 0.00 -0.80 0.00 0.00 34.13 33.74 2jts s GLU 16 CO 0.68 -0.30 -0.04 -3.38 -1.33 0.00 0.00 175.26 170.89 2jts s HIS 17 N -1.35 0.50 0.22 4.83 -3.43 0.05 -3.93 115.29 112.18 2jts s HIS 17 Ca -0.07 -0.83 -0.32 0.00 -0.80 0.00 0.00 55.06 53.04 2jts s HIS 17 Cb -0.00 -0.35 -0.12 0.00 -1.43 0.00 0.00 32.58 30.68 2jts s HIS 17 CO 0.06 -0.26 1.68 0.08 -2.00 0.00 0.00 174.74 174.30 2jts s VAL 18 N -2.90 2.11 -0.36 -5.38 1.01 -1.26 -1.12 120.40 112.49 2jts s VAL 18 Ca -0.01 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 2jts s VAL 18 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2jts s VAL 18 CO -0.06 0.01 2.16 -1.58 0.00 0.00 0.00 175.10 175.63 2jts s GLN 19 N 0.90 2.80 0.00 2.72 -0.44 -0.15 -1.03 119.66 124.47 2jts s GLN 19 Ca 0.72 1.58 0.00 0.00 -2.50 0.00 0.00 55.36 55.16 2jts s GLN 19 Cb -0.49 -4.40 0.00 0.00 -1.64 0.00 0.00 33.01 26.48 2jts s GLN 19 CO 0.34 -2.48 0.00 0.41 0.50 0.00 0.00 175.29 174.07 2jts n GLY 20 N 5.76 1.66 3.77 2.59 0.00 -1.26 -4.92 105.19 112.79 2jts n GLY 20 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.83 2.43 -0.06 4.61 0.00 -0.19 -4.65 121.76 122.07 2jts s ALA 21 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.59 2jts s ALA 21 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2jts s ALA 21 CO 0.00 -1.34 -0.25 0.42 0.00 0.00 0.00 175.76 174.59 2jts s ILE 22 N -2.32 2.05 -0.27 0.00 -1.09 -1.25 -4.90 121.20 113.41 2jts s ILE 22 Ca 0.67 -1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 57.74 2jts s ILE 22 Cb -0.21 -1.73 -0.00 0.00 -1.58 0.00 0.00 42.46 38.94 2jts s ILE 22 CO 0.42 0.57 1.28 0.21 -1.23 0.00 0.00 174.94 176.19 2jts s ASN 23 N -0.16 6.74 -0.41 3.58 3.84 -1.26 -1.15 114.94 126.12 2jts s ASN 23 Ca -0.04 1.30 0.04 0.00 0.21 0.00 0.00 52.86 54.37 2jts s ASN 23 Cb -0.14 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.19 2jts s ASN 23 CO 0.04 -1.00 0.34 -0.63 -2.79 0.00 0.00 177.10 173.05 2jts s ILE 24 N 4.15 0.27 0.65 -5.21 1.01 0.61 -4.98 121.20 117.70 2jts s ILE 24 Ca 0.55 -2.50 -0.17 0.00 0.00 0.00 0.00 60.65 58.53 2jts s ILE 24 Cb -0.17 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2jts s ILE 24 CO 0.21 -1.18 0.79 -2.65 0.00 0.00 0.00 174.94 172.10 2jts n PRO 25 N 2.97 0.60 -0.32 2.79 -0.02 -1.25 -4.19 135.00 135.58 2jts n PRO 25 Ca 0.28 0.25 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 2jts n PRO 25 Cb 0.47 -2.02 0.33 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.48 -0.28 2.45 5.85 -1.06 0.93 115.31 123.77 2jts h LEU 26 Ca -0.47 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jts h LEU 26 Cb 1.36 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.48 2jts h LEU 26 CO 0.47 0.06 0.00 0.29 -0.34 0.00 0.00 178.44 178.92 2jts n LYS 27 N -4.97 0.09 0.00 1.25 4.76 -1.26 -3.62 118.16 114.40 2jts n LYS 27 Ca 0.23 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 2jts n LYS 27 Cb 0.67 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 -1.82 3.26 -0.34 1.97 -0.58 0.15 -4.85 120.64 118.43 2jts n GLU 28 Ca 0.03 0.00 0.20 0.00 -0.42 0.00 0.00 57.16 56.98 2jts n GLU 28 Cb 0.21 -0.61 0.43 0.00 -0.57 0.00 0.00 31.44 30.90 2jts n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2jts h VAL 29 N 0.00 0.44 -0.94 2.62 3.04 -1.14 -0.62 116.25 119.65 2jts h VAL 29 Ca 0.00 -0.16 0.10 0.00 -1.01 0.00 0.00 66.70 65.63 2jts h VAL 29 Cb 0.00 -0.07 -0.08 0.00 -2.01 0.00 0.00 31.29 29.13 2jts h VAL 29 CO 0.00 0.09 0.57 0.11 -1.01 0.00 0.00 177.57 177.33 2jts h LYS 30 N 0.47 0.92 -0.01 4.17 1.57 -1.88 -0.29 116.57 121.52 2jts h LYS 30 Ca 0.68 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2jts h LYS 30 Cb 1.42 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2jts h LYS 30 CO -0.52 0.61 -0.13 0.39 -0.57 0.00 0.00 179.45 179.23 2jts n GLU 31 N -4.65 1.32 0.00 3.15 -0.58 -0.25 -4.39 120.64 115.24 2jts n GLU 31 Ca 0.16 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 2jts n GLU 31 Cb 0.30 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2jts n GLU 31 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jts n ARG 32 N -0.13 3.21 -0.36 3.49 1.74 -0.93 -4.84 116.66 118.84 2jts n ARG 32 Ca 0.15 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.25 2jts n ARG 32 Cb 0.37 -0.36 0.16 0.00 -1.02 0.00 0.00 32.46 31.61 2jts n ARG 32 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2jts h ILE 33 N 0.00 1.11 -0.24 0.55 6.09 -1.27 -2.48 117.51 121.28 2jts h ILE 33 Ca 0.00 -0.40 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 2jts h ILE 33 Cb 0.00 -0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.11 2jts h ILE 33 CO 0.00 0.21 0.09 0.00 -3.07 0.00 0.00 178.15 175.39 2jts h ALA 34 N 1.43 1.72 0.00 0.18 0.00 -1.85 0.11 119.26 120.85 2jts h ALA 34 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jts h ALA 34 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jts h ALA 34 CO -0.15 0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.57 2jts n THR 35 N -4.43 0.99 0.00 0.00 -2.24 -0.93 -2.47 114.28 105.20 2jts n THR 35 Ca 0.01 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2jts n THR 35 Cb 0.13 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 2jts n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jts n ALA 36 N -1.52 2.00 -3.47 6.98 0.00 -0.48 -4.90 120.51 119.11 2jts n ALA 36 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 2jts n ALA 36 Cb 0.17 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 2jts n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jts n VAL 37 N -2.01 -0.70 -0.24 0.00 0.31 0.27 -4.98 118.33 110.98 2jts n VAL 37 Ca 0.00 -3.70 0.02 0.00 -0.01 0.00 0.00 64.34 60.65 2jts n VAL 37 Cb 0.50 -1.75 0.25 0.00 -0.91 0.00 0.00 33.84 31.92 2jts n VAL 37 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2jts h PRO 38 N 5.53 0.98 -6.18 5.55 0.11 -1.70 -3.39 132.00 132.90 2jts h PRO 38 Ca 0.24 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.77 2jts h PRO 38 Cb 0.88 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 2jts h PRO 38 CO 0.44 0.65 1.19 0.34 -0.21 0.00 0.00 178.00 180.40 2jts s ASP 39 N -6.23 6.02 0.00 -2.05 2.15 -1.26 -4.87 116.67 110.42 2jts s ASP 39 Ca -0.11 -0.58 0.02 0.00 0.43 0.00 0.00 52.55 52.31 2jts s ASP 39 Cb 0.19 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.37 2jts s ASP 39 CO 0.79 -1.92 0.63 2.29 -0.17 0.00 0.00 175.17 176.78 2jts n LYS 40 N 9.19 0.52 0.00 4.34 2.85 -1.26 -1.39 118.16 132.40 2jts n LYS 40 Ca 0.16 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.49 2jts n LYS 40 Cb 0.50 -1.06 -0.03 0.00 -0.65 0.00 0.00 35.03 33.78 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 -0.56 1.09 -4.77 -5.58 2.85 -1.26 -1.38 115.26 105.65 2jts n ASN 41 Ca 0.02 -1.05 -0.38 0.00 -0.11 0.00 0.00 54.58 53.06 2jts n ASN 41 Cb 0.01 0.70 -0.01 0.00 1.24 0.00 0.00 39.78 41.72 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 -1.92 6.27 -0.81 1.20 -1.08 -0.49 -4.69 116.67 115.15 2jts s ASP 42 Ca 0.09 2.36 -0.26 0.00 -0.52 0.00 0.00 52.55 54.22 2jts s ASP 42 Cb 0.10 -2.61 0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2jts s ASP 42 CO 0.43 -0.85 1.32 -0.89 0.52 0.00 0.00 175.17 175.69 2jts s THR 43 N -1.47 3.78 -0.52 1.71 2.01 -0.12 -4.49 115.64 116.55 2jts s THR 43 Ca 0.61 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 2jts s THR 43 Cb -0.30 -4.95 -0.01 0.00 0.01 0.00 0.00 72.50 67.25 2jts s THR 43 CO 0.37 -1.87 1.66 -0.69 -0.69 0.00 0.00 174.62 173.40 2jts s VAL 44 N 5.51 3.57 -1.14 3.82 1.01 -0.64 -1.53 120.40 131.00 2jts s VAL 44 Ca 0.38 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2jts s VAL 44 Cb -0.06 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.34 2jts s VAL 44 CO 0.08 -0.88 1.50 -0.54 0.00 0.00 0.00 175.10 175.26 2jts s LYS 45 N 6.04 3.83 0.32 2.72 1.02 0.08 -1.21 119.74 132.54 2jts s LYS 45 Ca 0.64 -1.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2jts s LYS 45 Cb -0.14 -5.31 -0.10 0.00 -0.52 0.00 0.00 37.83 31.76 2jts s LYS 45 CO 0.26 -2.08 1.24 0.14 -0.92 0.00 0.00 175.35 173.98 2jts s VAL 46 N 3.76 2.97 0.14 3.17 -7.23 -0.64 -1.55 120.40 121.01 2jts s VAL 46 Ca 0.46 0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 61.54 2jts s VAL 46 Cb 0.00 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 2jts s VAL 46 CO -0.02 0.23 0.19 -0.72 -0.31 0.00 0.00 175.10 174.47 2jts s TYR 47 N -1.16 0.48 0.27 2.82 1.13 -0.49 -1.16 117.35 119.24 2jts s TYR 47 Ca 0.48 -0.87 -0.13 0.00 -1.41 0.00 0.00 57.07 55.14 2jts s TYR 47 Cb -0.37 -0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 2jts s TYR 47 CO 0.49 -0.62 0.53 0.00 -2.51 0.00 0.00 175.55 173.44 2jts h ASN 49 N 2.19 0.24 -0.00 0.00 -1.24 -1.96 0.58 115.58 115.39 2jts h ASN 49 Ca -0.26 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.79 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 0.34 0.06 -0.03 0.00 -1.29 0.00 0.00 177.43 176.51 2jts n ALA 50 N -2.60 2.25 0.00 1.57 0.00 -1.26 -4.14 120.51 116.33 2jts n ALA 50 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jts n ALA 50 Cb 0.94 -0.04 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 0.71 2.47 0.37 0.00 0.00 -1.18 -4.86 105.19 102.69 2jts n GLY 51 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.80 -0.17 1.61 2.43 -1.90 -1.57 114.38 113.98 2jts h ARG 52 Ca 0.00 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2jts h ARG 52 Cb 0.00 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2jts h ARG 52 CO 0.00 -0.54 -0.16 1.96 -1.51 0.00 0.00 179.97 179.72 2jts h GLN 53 N -0.83 0.27 -0.15 0.20 4.20 -1.94 0.43 115.11 117.29 2jts h GLN 53 Ca -0.07 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 2jts h GLN 53 Cb 0.67 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2jts h GLN 53 CO 0.08 0.44 -0.59 0.66 -0.67 0.00 0.00 178.83 178.75 2jts h SER 54 N 0.25 0.54 -0.44 1.46 4.64 -1.82 0.09 113.55 118.29 2jts h SER 54 Ca 0.05 -0.30 0.08 0.00 -0.47 0.00 0.00 61.79 61.14 2jts h SER 54 Cb 0.44 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 2jts h SER 54 CO 0.03 1.01 0.02 1.23 -0.87 0.00 0.00 176.83 178.25 2jts h GLY 55 N 1.15 0.46 0.84 -0.77 0.00 -0.00 0.14 103.07 104.89 2jts h GLY 55 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2jts h GLY 55 CO 0.11 -0.10 0.04 1.46 0.00 0.00 0.00 176.54 178.05 2jts h GLN 56 N 0.13 0.19 0.00 4.80 4.20 -0.81 -2.90 115.11 120.73 2jts h GLN 56 Ca 0.22 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2jts h GLN 56 Cb 0.31 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2jts h GLN 56 CO -0.34 0.32 -0.04 0.00 -0.67 0.00 0.00 178.83 178.11 2jts h ALA 57 N 0.86 1.83 -0.48 3.87 0.00 -0.64 -1.69 119.26 123.01 2jts h ALA 57 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jts h ALA 57 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jts h ALA 57 CO -0.00 0.05 0.29 -0.22 0.00 0.00 0.00 179.25 179.37 2jts h LYS 58 N 0.00 0.65 -0.53 0.00 3.11 -0.76 0.41 116.57 119.44 2jts h LYS 58 Ca -0.00 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.70 2jts h LYS 58 Cb 0.07 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.14 2jts h LYS 58 CO 0.00 0.47 0.03 0.93 -2.81 0.00 0.00 179.45 178.07 2jts h GLU 59 N 0.64 0.92 -0.00 1.90 5.08 -1.33 -0.74 114.58 121.05 2jts h GLU 59 Ca 0.17 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2jts h GLU 59 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2jts h GLU 59 CO -0.03 0.93 -0.04 0.82 -1.00 0.00 0.00 179.01 179.69 2jts h ILE 60 N 0.80 0.89 0.00 3.13 2.04 -1.08 -1.30 117.51 122.00 2jts h ILE 60 Ca 0.15 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 2jts h ILE 60 Cb 0.49 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2jts h ILE 60 CO 0.02 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.64 2jts h LEU 61 N -0.07 0.00 -0.67 1.44 3.38 -0.80 -0.03 115.31 118.56 2jts h LEU 61 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jts h LEU 61 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2jts h LEU 61 CO -0.05 0.46 0.32 0.28 0.09 0.00 0.00 178.44 179.55 2jts h SER 62 N 0.00 0.88 -0.12 -0.43 0.02 -0.85 -1.22 113.55 111.83 2jts h SER 62 Ca -0.00 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 2jts h SER 62 Cb 0.87 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2jts h SER 62 CO 0.06 0.77 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.16 2jts h GLU 63 N 0.93 0.59 0.00 3.45 4.81 -0.38 -1.63 114.58 122.35 2jts h GLU 63 Ca 0.23 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jts h GLU 63 Cb 0.13 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2jts h GLU 63 CO -0.03 0.81 0.00 0.52 -0.73 0.00 0.00 179.01 179.58 2jts h MET 64 N 0.51 0.00 0.00 1.92 2.86 -0.76 -3.46 114.93 116.00 2jts h MET 64 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2jts h MET 64 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2jts h MET 64 CO 0.06 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.44 2jts n GLY 65 N -0.63 0.79 3.67 8.32 0.00 -0.61 -5.04 105.19 111.68 2jts n GLY 65 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 2.11 -0.02 1.61 1.51 -0.54 -4.89 117.35 115.13 2jts s TYR 66 Ca 0.00 0.23 0.21 0.00 -1.01 0.00 0.00 57.07 56.50 2jts s TYR 66 Cb 0.00 -3.93 0.59 0.00 -0.11 0.00 0.00 41.96 38.51 2jts s TYR 66 CO 0.00 -3.86 1.68 1.79 -1.11 0.00 0.00 175.55 174.05 2jts h THR 67 N 5.33 0.59 -3.13 -0.71 1.35 -1.54 -3.40 112.91 111.39 2jts h THR 67 Ca -0.41 -1.45 -0.54 0.00 -0.55 0.00 0.00 66.41 63.46 2jts h THR 67 Cb 1.19 2.00 -0.40 0.00 -1.73 0.00 0.00 68.15 69.21 2jts h THR 67 CO 0.94 0.28 -0.76 -1.00 -0.25 0.00 0.00 175.52 174.73 2jts s HIS 68 N -3.38 1.08 -0.02 4.73 3.76 -1.26 -5.07 115.29 115.13 2jts s HIS 68 Ca 0.02 -1.13 -0.03 0.00 -0.15 0.00 0.00 55.06 53.78 2jts s HIS 68 Cb 0.09 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.57 2jts s HIS 68 CO 0.67 -0.74 0.07 0.08 -0.85 0.00 0.00 174.74 173.97 2jts s VAL 69 N 1.84 0.03 -0.07 -0.90 1.01 -1.26 -1.62 120.40 119.43 2jts s VAL 69 Ca 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 2jts s VAL 69 Cb -0.17 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 36.06 2jts s VAL 69 CO -0.19 -0.15 0.15 -0.70 0.00 0.00 0.00 175.10 174.21 2jts s GLU 70 N -0.45 0.07 -0.35 2.72 2.12 -0.35 -4.92 118.70 117.54 2jts s GLU 70 Ca -0.05 0.42 -0.29 0.00 0.36 0.00 0.00 54.97 55.41 2jts s GLU 70 Cb -0.03 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.15 2jts s GLU 70 CO 0.00 -0.21 1.43 1.21 -0.54 0.00 0.00 175.26 177.16 2jts s ASN 71 N 1.49 6.40 0.59 -1.70 2.47 -1.26 -1.63 114.94 121.31 2jts s ASN 71 Ca -0.06 1.05 0.33 0.00 0.42 0.00 0.00 52.86 54.61 2jts s ASN 71 Cb -0.12 -2.54 1.87 0.00 -1.45 0.00 0.00 41.25 39.01 2jts s ASN 71 CO -0.06 -1.34 2.23 0.00 -3.72 0.00 0.00 177.10 174.22 2jts h ALA 72 N 10.47 1.31 0.00 1.71 0.00 -1.45 -3.46 119.26 127.83 2jts h ALA 72 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jts h ALA 72 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jts h ALA 72 CO 1.06 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.76 2jts n GLY 73 N -1.04 1.82 0.00 0.00 0.00 -1.26 -4.71 105.19 100.00 2jts n GLY 73 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.24 2.14 0.26 -0.02 0.00 -1.26 -3.46 105.19 102.60 2jts n GLY 74 Ca 0.00 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 44.21 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 0.04 -2.44 0.99 5.85 -1.09 -0.36 115.31 118.29 2jts h LEU 75 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jts h LEU 75 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2jts h LEU 75 CO 0.00 0.05 0.00 0.07 -0.34 0.00 0.00 178.44 178.22 2jts h LYS 76 N 0.04 0.00 0.00 1.25 2.10 -1.79 -3.33 116.57 114.85 2jts h LYS 76 Ca 0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.63 2jts h LYS 76 Cb 0.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 2jts h LYS 76 CO 0.00 0.00 -1.14 -3.47 -2.00 0.00 0.00 179.45 172.84 2jts n ASP 77 N -2.90 4.03 -4.73 7.07 2.03 -0.27 -5.01 116.55 116.78 2jts n ASP 77 Ca -0.02 -0.01 -0.41 0.00 0.52 0.00 0.00 54.79 54.87 2jts n ASP 77 Cb 0.10 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 -2.42 2.29 -1.53 5.18 5.41 -0.49 -4.93 119.36 122.87 2jts n ILE 78 Ca -0.04 -0.50 0.07 0.00 1.00 0.00 0.00 62.75 63.28 2jts n ILE 78 Cb 0.55 -1.70 0.13 0.00 -0.71 0.00 0.00 39.64 37.91 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 0.11 2.72 -1.20 -1.39 0.00 -1.26 -4.95 120.51 114.53 2jts n ALA 79 Ca 0.05 -2.61 -0.30 0.00 0.00 0.00 0.00 53.44 50.57 2jts n ALA 79 Cb 0.39 -0.43 0.13 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.30 1.40 0.53 0.00 -1.94 -1.26 -5.02 119.30 110.71 2jts s MET 80 Ca 0.30 0.89 -0.20 0.00 -1.71 0.00 0.00 55.69 54.97 2jts s MET 80 Cb 0.29 -1.82 -0.08 0.00 2.01 0.00 0.00 34.83 35.23 2jts s MET 80 CO -0.03 -2.16 0.87 -2.30 -0.01 0.00 0.00 175.02 171.39 2jts n PRO 81 N -3.84 0.94 -4.20 2.03 -0.02 -1.26 -4.88 135.00 123.77 2jts n PRO 81 Ca 0.07 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.75 2jts n PRO 81 Cb 0.55 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.34 0.56 0.01 -0.52 1.02 -1.26 -0.98 119.74 116.24 2jts s LYS 82 Ca 0.70 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 56.25 2jts s LYS 82 Cb -0.47 -0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2jts s LYS 82 CO 0.52 0.13 0.05 0.14 -0.92 0.00 0.00 175.35 175.27 2jts s VAL 83 N -0.50 0.09 0.84 3.17 -7.23 -0.28 -4.89 120.40 111.60 2jts s VAL 83 Ca -0.00 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 2jts s VAL 83 Cb -0.05 -0.34 0.09 0.00 0.56 0.00 0.00 36.38 36.65 2jts s VAL 83 CO 0.00 -0.43 1.09 -1.59 -0.31 0.00 0.00 175.10 173.87 2jts s LYS 84 N -1.38 1.73 0.00 4.82 -2.85 -1.26 -0.77 119.74 120.03 2jts s LYS 84 Ca -0.15 1.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 2jts s LYS 84 Cb -0.09 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2jts s LYS 84 CO 0.00 -1.98 0.28 0.41 0.10 0.00 0.00 175.35 174.17