#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 0.29 -0.18 0.00 2.02 -1.26 -2.98 118.70 116.59 2jts s GLU 2 Ca 0.00 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 2jts s GLU 2 Cb 0.00 0.11 0.06 0.00 0.10 0.00 0.00 34.13 34.40 2jts s GLU 2 CO 0.00 -0.06 0.04 -1.01 0.02 0.00 0.00 175.26 174.25 2jts s HIS 3 N -1.11 0.90 0.11 1.61 3.76 -0.40 -4.97 115.29 115.19 2jts s HIS 3 Ca -0.12 -0.73 -0.30 0.00 -0.15 0.00 0.00 55.06 53.76 2jts s HIS 3 Cb -0.07 -0.97 -0.06 0.00 1.11 0.00 0.00 32.58 32.59 2jts s HIS 3 CO -0.00 -0.57 1.11 -1.58 -0.85 0.00 0.00 174.74 172.84 2jts s TRP 4 N 1.90 3.56 -0.08 1.40 0.52 -1.26 -1.42 118.94 123.57 2jts s TRP 4 Ca -0.00 1.53 -0.00 0.00 0.02 0.00 0.00 56.10 57.64 2jts s TRP 4 Cb -0.16 -3.29 0.02 0.00 -1.15 0.00 0.00 33.47 28.89 2jts s TRP 4 CO -0.08 -0.70 -0.04 0.42 0.02 0.00 0.00 176.95 176.57 2jts s ILE 5 N 0.38 0.67 0.00 2.03 -1.09 -0.29 -3.05 121.20 119.85 2jts s ILE 5 Ca 0.53 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.55 2jts s ILE 5 Cb -0.28 -0.74 -0.03 0.00 -1.58 0.00 0.00 42.46 39.82 2jts s ILE 5 CO 0.32 0.30 1.04 -0.62 -1.23 0.00 0.00 174.94 174.74 2jts s ASP 6 N 1.59 7.28 -0.17 3.58 -1.08 0.13 -3.84 116.67 124.15 2jts s ASP 6 Ca 0.01 1.73 0.14 0.00 -0.52 0.00 0.00 52.55 53.91 2jts s ASP 6 Cb -0.13 -2.57 0.43 0.00 -1.46 0.00 0.00 42.92 39.19 2jts s ASP 6 CO -0.05 -0.34 1.20 1.33 0.52 0.00 0.00 175.17 177.84 2jts n VAL 7 N 3.99 1.74 -4.27 1.11 0.24 -1.24 -0.42 118.33 119.49 2jts n VAL 7 Ca 0.07 -2.86 -0.12 0.00 -2.04 0.00 0.00 64.34 59.40 2jts n VAL 7 Cb 0.50 -0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.72 1.56 -1.24 7.34 0.63 -1.26 -0.93 116.66 122.04 2jts n ARG 8 Ca 0.18 -1.32 -0.32 0.00 -0.92 0.00 0.00 57.85 55.47 2jts n ARG 8 Cb 0.82 0.35 0.10 0.00 0.45 0.00 0.00 32.46 34.19 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 -1.65 2.68 -0.33 5.15 -7.23 -1.26 -4.10 120.40 113.66 2jts s VAL 9 Ca 0.00 0.27 0.21 0.00 -1.81 0.00 0.00 61.98 60.65 2jts s VAL 9 Cb 0.00 -2.66 0.21 0.00 0.56 0.00 0.00 36.38 34.49 2jts s VAL 9 CO 0.00 -0.24 1.63 -0.81 -0.31 0.00 0.00 175.10 175.37 2jts n PRO 10 N -3.29 0.14 -0.24 4.82 -0.04 -1.26 -2.71 135.00 132.42 2jts n PRO 10 Ca 0.11 0.57 0.04 0.00 -0.04 0.00 0.00 63.50 64.18 2jts n PRO 10 Cb 0.52 -1.91 0.14 0.00 -0.04 0.00 0.00 33.50 32.21 2jts n PRO 10 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jts h GLU 11 N 0.00 0.10 -0.27 0.54 4.81 -2.01 -0.51 114.58 117.25 2jts h GLU 11 Ca 0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2jts h GLU 11 Cb 0.09 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2jts h GLU 11 CO 0.00 0.07 -0.38 -0.56 -0.73 0.00 0.00 179.01 177.41 2jts h GLN 12 N 0.11 0.73 -0.91 1.92 3.07 -1.85 -3.27 115.11 114.92 2jts h GLN 12 Ca 0.38 -0.43 0.07 0.00 0.09 0.00 0.00 58.65 58.77 2jts h GLN 12 Cb 0.65 0.04 -0.06 0.00 0.08 0.00 0.00 27.48 28.19 2jts h GLN 12 CO -0.62 1.05 0.59 -0.92 0.09 0.00 0.00 178.83 179.02 2jts h TYR 13 N 0.47 1.03 -0.35 0.06 3.20 -1.29 -0.82 116.97 119.27 2jts h TYR 13 Ca 0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2jts h TYR 13 Cb 0.97 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2jts h TYR 13 CO 0.08 0.52 0.08 1.96 -1.64 0.00 0.00 178.16 179.16 2jts h GLN 14 N 1.00 0.57 -0.04 1.82 1.08 -1.23 -3.30 115.11 115.01 2jts h GLN 14 Ca 0.40 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 2jts h GLN 14 Cb 0.25 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2jts h GLN 14 CO -0.16 0.62 -0.22 -0.56 -0.95 0.00 0.00 178.83 177.57 2jts h GLN 15 N 0.42 0.22 -1.31 1.46 3.07 -1.30 -1.13 115.11 116.54 2jts h GLN 15 Ca 0.11 -0.18 0.16 0.00 0.09 0.00 0.00 58.65 58.83 2jts h GLN 15 Cb 0.31 0.04 -0.26 0.00 0.08 0.00 0.00 27.48 27.66 2jts h GLN 15 CO 0.00 0.84 0.75 -1.83 0.09 0.00 0.00 178.83 178.68 2jts s GLU 16 N -3.57 0.32 0.03 0.06 1.03 -0.43 -4.71 118.70 111.44 2jts s GLU 16 Ca -0.15 0.09 0.01 0.00 0.03 0.00 0.00 54.97 54.95 2jts s GLU 16 Cb 0.02 0.15 -0.02 0.00 -0.80 0.00 0.00 34.13 33.48 2jts s GLU 16 CO 0.74 -0.10 -0.05 -3.38 -1.33 0.00 0.00 175.26 171.15 2jts s HIS 17 N -0.99 0.43 0.17 4.83 -3.43 0.30 -4.20 115.29 112.41 2jts s HIS 17 Ca 0.04 -0.58 -0.33 0.00 -0.80 0.00 0.00 55.06 53.38 2jts s HIS 17 Cb -0.01 -0.28 -0.14 0.00 -1.43 0.00 0.00 32.58 30.71 2jts s HIS 17 CO -0.04 -0.17 1.48 0.28 -2.00 0.00 0.00 174.74 174.29 2jts n VAL 18 N 1.37 0.31 -1.68 -5.38 0.31 -1.26 -1.00 118.33 111.00 2jts n VAL 18 Ca -0.22 -0.08 -0.53 0.00 -0.01 0.00 0.00 64.34 63.50 2jts n VAL 18 Cb 0.56 -1.40 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 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 2.83 1.56 -0.94 5.55 0.00 -0.22 -1.35 117.38 124.82 2jts n GLN 19 Ca 0.15 0.56 0.00 0.00 -0.00 0.00 0.00 57.00 57.72 2jts n GLN 19 Cb 0.28 -2.35 0.00 0.00 0.00 0.00 0.00 30.24 28.17 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 4.49 0.63 3.74 1.69 0.00 -1.26 -5.00 105.19 109.48 2jts n GLY 20 Ca 0.26 0.00 -0.42 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 -2.74 3.81 -0.01 4.61 0.00 -0.45 -4.92 121.76 122.05 2jts s ALA 21 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2jts s ALA 21 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 2jts s ALA 21 CO 0.00 -0.92 1.03 0.42 0.00 0.00 0.00 175.76 176.29 2jts s ILE 22 N 0.51 4.69 -0.24 0.00 1.01 -1.17 -4.67 121.20 121.32 2jts s ILE 22 Ca 0.67 1.94 -0.29 0.00 0.00 0.00 0.00 60.65 62.97 2jts s ILE 22 Cb -0.48 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 37.76 2jts s ILE 22 CO 0.41 0.12 1.13 0.21 0.00 0.00 0.00 174.94 176.81 2jts s ASN 23 N 1.05 6.97 -0.39 3.58 3.84 -1.26 -0.69 114.94 128.04 2jts s ASN 23 Ca 0.53 1.36 0.02 0.00 0.21 0.00 0.00 52.86 54.98 2jts s ASN 23 Cb -0.22 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.10 2jts s ASN 23 CO 0.27 -0.79 0.30 -0.63 -2.79 0.00 0.00 177.10 173.46 2jts s ILE 24 N 3.51 0.17 0.62 -5.21 1.01 0.45 -4.97 121.20 116.78 2jts s ILE 24 Ca 0.48 -2.12 -0.18 0.00 0.00 0.00 0.00 60.65 58.84 2jts s ILE 24 Cb -0.16 -1.12 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 2jts s ILE 24 CO 0.12 -1.06 0.56 -2.65 0.00 0.00 0.00 174.94 171.92 2jts n PRO 25 N 3.41 0.49 -0.31 2.79 -0.02 -1.26 -4.22 135.00 135.88 2jts n PRO 25 Ca 0.21 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 2jts n PRO 25 Cb 0.44 -1.78 0.33 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.09 0.28 -0.50 2.45 5.85 -1.30 0.12 115.31 122.30 2jts h LEU 26 Ca -0.46 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jts h LEU 26 Cb 1.38 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.58 2jts h LEU 26 CO 0.46 -0.06 0.00 0.29 -0.34 0.00 0.00 178.44 178.79 2jts n LYS 27 N -5.09 0.10 0.00 1.25 4.76 -1.26 -3.35 118.16 114.57 2jts n LYS 27 Ca 0.24 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 2jts n LYS 27 Cb 0.72 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.90 3.35 -0.31 1.97 1.02 0.27 -4.89 120.64 120.15 2jts n GLU 28 Ca 0.02 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2jts n GLU 28 Cb 0.14 -0.31 0.29 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.04 0.56 -0.60 2.62 3.04 -1.12 0.32 116.25 121.11 2jts h VAL 29 Ca 0.00 -0.17 0.06 0.00 -1.01 0.00 0.00 66.70 65.58 2jts h VAL 29 Cb 0.02 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 29.29 2jts h VAL 29 CO 0.00 0.09 0.40 0.11 -1.01 0.00 0.00 177.57 177.16 2jts h LYS 30 N 0.50 0.59 -0.37 4.17 1.57 -1.88 -0.69 116.57 120.46 2jts h LYS 30 Ca 0.54 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2jts h LYS 30 Cb 0.96 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2jts h LYS 30 CO -0.47 0.39 0.00 0.39 -0.57 0.00 0.00 179.45 179.19 2jts n GLU 31 N -4.47 2.04 0.00 3.15 -0.58 0.10 -4.23 120.64 116.65 2jts n GLU 31 Ca 0.08 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 2jts n GLU 31 Cb 0.22 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 0.80 1.23 -0.11 3.49 3.00 -1.05 -4.87 116.66 119.16 2jts n ARG 32 Ca 0.16 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 58.09 2jts n ARG 32 Cb 0.41 -0.48 0.43 0.00 0.00 0.00 0.00 32.46 32.82 2jts n ARG 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 2jts h ILE 33 N 0.00 0.98 0.00 0.55 6.09 -1.30 -0.05 117.51 123.78 2jts h ILE 33 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2jts h ILE 33 Cb 0.00 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.64 2jts h ILE 33 CO 0.00 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 175.18 2jts n ALA 34 N -2.48 1.15 0.00 0.18 0.00 -1.26 -0.63 120.51 117.46 2jts n ALA 34 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jts n ALA 34 Cb 0.27 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2jts n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jts n THR 35 N -2.04 0.00 -0.08 0.00 -2.24 -0.56 -4.02 114.28 105.35 2jts n THR 35 Ca -0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 2jts n THR 35 Cb 0.06 -0.64 0.02 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.00 0.65 -2.19 6.98 0.00 -0.81 -3.38 119.26 120.51 2jts h ALA 36 Ca 0.00 -0.46 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 2jts h ALA 36 Cb 0.74 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 18.04 2jts h ALA 36 CO 0.00 0.67 -1.03 0.28 0.00 0.00 0.00 179.25 179.17 2jts n VAL 37 N -4.04 -0.99 0.08 0.00 0.31 0.20 -5.01 118.33 108.87 2jts n VAL 37 Ca -0.02 -3.64 -0.03 0.00 -0.01 0.00 0.00 64.34 60.64 2jts n VAL 37 Cb 0.55 -1.74 0.19 0.00 -0.91 0.00 0.00 33.84 31.93 2jts n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jts h PRO 38 N 4.94 0.28 -6.27 5.55 0.13 -1.70 -3.37 132.00 131.56 2jts h PRO 38 Ca 0.18 -0.14 -0.54 0.00 -0.87 0.00 0.00 66.00 64.63 2jts h PRO 38 Cb 0.90 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.95 2jts h PRO 38 CO 0.40 0.68 1.17 0.34 -0.23 0.00 0.00 178.00 180.36 2jts s ASP 39 N -6.88 6.14 0.02 1.44 2.15 -1.26 -4.88 116.67 113.40 2jts s ASP 39 Ca -0.05 -0.60 0.10 0.00 0.43 0.00 0.00 52.55 52.43 2jts s ASP 39 Cb 0.13 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.62 2jts s ASP 39 CO 0.78 -1.83 1.31 2.29 -0.17 0.00 0.00 175.17 177.55 2jts n LYS 40 N 9.25 0.01 0.20 4.34 2.85 -1.26 -1.24 118.16 132.32 2jts n LYS 40 Ca 0.11 0.36 0.13 0.00 -1.05 0.00 0.00 58.31 57.86 2jts n LYS 40 Cb 0.50 -1.53 0.27 0.00 -0.65 0.00 0.00 35.03 33.62 2jts n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2jts h ASN 41 N 0.00 0.00 -4.04 -5.58 -0.73 -1.90 -2.99 115.58 100.34 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 0.16 0.00 0.10 0.00 0.27 0.00 0.00 38.32 38.85 2jts h ASN 41 CO 0.00 0.00 0.53 -0.62 -0.37 0.00 0.00 177.43 176.97 2jts s ASP 42 N -5.82 5.64 0.26 1.15 2.15 -0.37 -4.56 116.67 115.11 2jts s ASP 42 Ca 0.07 2.50 -0.29 0.00 0.43 0.00 0.00 52.55 55.25 2jts s ASP 42 Cb 0.07 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 39.98 2jts s ASP 42 CO 0.64 -1.30 1.22 -0.89 -0.17 0.00 0.00 175.17 174.67 2jts s THR 43 N -1.46 3.23 -0.00 1.71 2.01 -1.16 -4.64 115.64 115.33 2jts s THR 43 Ca 0.69 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.89 2jts s THR 43 Cb -0.33 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2jts s THR 43 CO 0.39 0.23 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.71 2jts s VAL 44 N -0.66 1.26 -0.07 3.82 1.01 -0.23 -1.27 120.40 124.27 2jts s VAL 44 Ca 0.50 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2jts s VAL 44 Cb -0.35 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2jts s VAL 44 CO 0.43 0.29 -0.10 -0.54 0.00 0.00 0.00 175.10 175.19 2jts s LYS 45 N -0.54 1.45 0.19 2.72 1.02 -0.50 -2.28 119.74 121.79 2jts s LYS 45 Ca 0.06 -0.31 0.11 0.00 0.02 0.00 0.00 55.97 55.85 2jts s LYS 45 Cb -0.07 -1.28 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 2jts s LYS 45 CO -0.00 -0.04 -0.24 0.14 -0.92 0.00 0.00 175.35 174.29 2jts s VAL 46 N 0.88 2.32 0.16 3.17 -7.23 -0.69 -1.14 120.40 117.87 2jts s VAL 46 Ca -0.11 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 57.86 2jts s VAL 46 Cb -0.15 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.73 2jts s VAL 46 CO 0.01 -0.12 0.49 -0.72 -0.31 0.00 0.00 175.10 174.46 2jts s TYR 47 N -1.67 -0.25 0.29 2.82 1.13 -1.25 -0.73 117.35 117.69 2jts s TYR 47 Ca 0.20 -0.05 -0.18 0.00 -1.41 0.00 0.00 57.07 55.63 2jts s TYR 47 Cb -0.08 0.38 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 2jts s TYR 47 CO 0.09 -0.82 0.68 0.00 -2.51 0.00 0.00 175.55 173.00 2jts h ASN 49 N 2.05 0.04 0.00 0.00 -0.73 -1.94 0.61 115.58 115.62 2jts h ASN 49 Ca -0.22 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2jts h ASN 49 Cb 1.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.84 2jts h ASN 49 CO 0.28 0.01 0.00 0.00 -0.37 0.00 0.00 177.43 177.35 2jts n ALA 50 N -2.74 1.88 0.00 1.57 0.00 -1.26 -4.31 120.51 115.65 2jts n ALA 50 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jts n ALA 50 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.65 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 -0.08 1.51 0.14 0.00 0.00 -1.00 -4.74 105.19 101.02 2jts n GLY 51 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.26 -0.46 1.61 9.65 -1.91 -1.84 114.38 121.18 2jts h ARG 52 Ca 0.00 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2jts h ARG 52 Cb 0.00 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 2jts h ARG 52 CO 0.00 -0.04 0.13 1.96 2.80 0.00 0.00 179.97 184.83 2jts h GLN 53 N -0.45 0.68 -0.08 0.20 4.20 -1.94 0.26 115.11 117.99 2jts h GLN 53 Ca -0.03 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 2jts h GLN 53 Cb 0.34 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2jts h GLN 53 CO 0.04 0.60 -0.61 0.66 -0.67 0.00 0.00 178.83 178.86 2jts h SER 54 N 0.66 0.31 -0.59 1.46 4.64 -1.82 -1.29 113.55 116.91 2jts h SER 54 Ca 0.15 -0.18 0.08 0.00 -0.47 0.00 0.00 61.79 61.38 2jts h SER 54 Cb 0.22 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.15 2jts h SER 54 CO -0.01 0.84 0.24 1.23 -0.87 0.00 0.00 176.83 178.27 2jts h GLY 55 N 1.44 0.83 0.79 -0.77 0.00 -0.14 0.96 103.07 106.18 2jts h GLY 55 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2jts h GLY 55 CO 0.10 0.02 0.01 1.46 0.00 0.00 0.00 176.54 178.13 2jts h GLN 56 N 0.44 0.09 -0.77 4.80 1.08 -0.80 -2.63 115.11 117.32 2jts h GLN 56 Ca 0.29 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.54 2jts h GLN 56 Cb 0.32 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 2jts h GLN 56 CO -0.27 0.29 0.50 0.00 -0.95 0.00 0.00 178.83 178.41 2jts h ALA 57 N 0.79 1.70 -0.59 3.87 0.00 -0.93 -0.72 119.26 123.38 2jts h ALA 57 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jts h ALA 57 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jts h ALA 57 CO 0.00 0.17 0.18 -0.22 0.00 0.00 0.00 179.25 179.38 2jts h LYS 58 N 0.78 0.92 -0.16 0.00 3.11 -0.54 -0.40 116.57 120.28 2jts h LYS 58 Ca 0.34 -0.20 -0.14 0.00 -2.81 0.00 0.00 60.65 57.84 2jts h LYS 58 Cb 0.31 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2jts h LYS 58 CO -0.12 0.83 -0.49 0.93 -2.81 0.00 0.00 179.45 177.79 2jts h GLU 59 N 0.84 0.44 -0.02 1.90 4.39 -0.96 -0.93 114.58 120.23 2jts h GLU 59 Ca 0.19 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2jts h GLU 59 Cb 0.29 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jts h GLU 59 CO -0.01 0.83 -0.04 0.82 -1.16 0.00 0.00 179.01 179.46 2jts h ILE 60 N 0.35 0.89 -0.30 3.13 2.04 -0.72 -0.41 117.51 122.49 2jts h ILE 60 Ca 0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2jts h ILE 60 Cb 0.99 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2jts h ILE 60 CO 0.09 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 178.06 2jts h LEU 61 N -0.06 0.48 -0.76 1.44 3.38 -0.91 -0.57 115.31 118.32 2jts h LEU 61 Ca 0.03 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2jts h LEU 61 Cb 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2jts h LEU 61 CO -0.06 0.62 0.31 0.28 0.09 0.00 0.00 178.44 179.68 2jts h SER 62 N 0.47 1.05 -0.16 -0.43 0.02 -0.86 -0.81 113.55 112.82 2jts h SER 62 Ca 0.09 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2jts h SER 62 Cb 0.46 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2jts h SER 62 CO 0.03 0.93 -0.20 -0.08 -1.14 0.00 0.00 176.83 176.36 2jts h GLU 63 N 1.10 0.59 0.00 3.45 4.81 -0.28 -0.98 114.58 123.26 2jts h GLU 63 Ca 0.25 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jts h GLU 63 Cb 0.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2jts h GLU 63 CO -0.02 0.76 0.00 -1.33 -0.73 0.00 0.00 179.01 177.68 2jts n MET 64 N -4.14 0.16 -0.51 1.92 2.81 -0.30 -4.88 117.12 112.18 2jts n MET 64 Ca 0.00 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2jts n MET 64 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 -0.13 0.73 3.66 3.03 0.00 -0.37 -5.03 105.19 107.08 2jts n GLY 65 Ca 0.06 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 1.85 -0.42 1.61 1.51 -0.37 -4.85 117.35 114.69 2jts s TYR 66 Ca 0.00 0.13 0.23 0.00 -1.01 0.00 0.00 57.07 56.42 2jts s TYR 66 Cb 0.00 -3.97 0.30 0.00 -0.11 0.00 0.00 41.96 38.17 2jts s TYR 66 CO 0.00 -4.05 1.53 1.79 -1.11 0.00 0.00 175.55 173.70 2jts h THR 67 N 5.68 0.00 -2.41 -0.71 1.35 -1.83 -3.39 112.91 111.60 2jts h THR 67 Ca -0.40 -0.99 -0.59 0.00 -0.55 0.00 0.00 66.41 63.88 2jts h THR 67 Cb 1.19 1.91 -0.39 0.00 -1.73 0.00 0.00 68.15 69.12 2jts h THR 67 CO 0.96 0.00 -0.89 1.41 -0.25 0.00 0.00 175.52 176.75 2jts n HIS 68 N -3.01 0.48 -4.52 4.73 8.25 -1.26 -5.08 115.22 114.80 2jts n HIS 68 Ca 0.03 -3.65 -0.21 0.00 -0.26 0.00 0.00 57.72 53.63 2jts n HIS 68 Cb 0.53 -0.13 -0.14 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.78 1.08 -0.00 1.59 1.01 -1.26 -1.07 120.40 120.97 2jts s VAL 69 Ca 0.32 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2jts s VAL 69 Cb 0.06 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 2jts s VAL 69 CO -0.16 0.20 0.01 -0.70 0.00 0.00 0.00 175.10 174.45 2jts s GLU 70 N -0.60 0.04 -0.57 2.72 2.56 -0.97 -4.99 118.70 116.89 2jts s GLU 70 Ca 0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 54.97 54.76 2jts s GLU 70 Cb -0.06 0.01 0.07 0.00 2.00 0.00 0.00 34.13 36.15 2jts s GLU 70 CO 0.00 -0.01 0.77 1.21 -0.56 0.00 0.00 175.26 176.67 2jts s ASN 71 N -0.12 6.22 0.37 -1.70 2.47 -1.26 -1.70 114.94 119.21 2jts s ASN 71 Ca -0.01 -0.97 0.06 0.00 0.42 0.00 0.00 52.86 52.36 2jts s ASN 71 Cb -0.01 -2.34 0.70 0.00 -1.45 0.00 0.00 41.25 38.15 2jts s ASN 71 CO -0.00 -1.12 1.92 0.00 -3.72 0.00 0.00 177.10 174.18 2jts h ALA 72 N 9.22 1.48 0.00 1.71 0.00 -1.31 -3.49 119.26 126.87 2jts h ALA 72 Ca -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jts h ALA 72 Cb 1.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jts h ALA 72 CO 1.07 0.38 0.00 0.41 0.00 0.00 0.00 179.25 181.10 2jts n GLY 73 N -1.00 0.42 3.78 0.00 0.00 -1.26 -4.83 105.19 102.30 2jts n GLY 73 Ca 0.01 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 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 2.27 0.28 -0.02 0.00 -1.26 -3.53 107.32 105.07 2jts s GLY 74 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.32 2jts s GLY 74 CO 0.00 0.94 1.64 -2.00 0.00 0.00 0.00 173.10 173.68 2jts h LEU 75 N 0.41 -0.08 -1.58 0.66 5.85 -1.07 0.66 115.31 120.15 2jts h LEU 75 Ca -0.48 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2jts h LEU 75 Cb 1.25 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 2jts h LEU 75 CO 0.55 -0.18 -0.19 0.11 -0.34 0.00 0.00 178.44 178.40 2jts h LYS 76 N 0.18 0.00 0.08 1.25 1.57 -1.88 -3.10 116.57 114.66 2jts h LYS 76 Ca 0.54 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 59.07 2jts h LYS 76 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2jts h LYS 76 CO -0.68 0.19 -1.11 0.22 -0.57 0.00 0.00 179.45 177.50 2jts h ASP 77 N 0.00 0.40 -2.62 0.86 3.58 -1.22 -3.44 116.42 113.98 2jts h ASP 77 Ca -0.00 -0.39 -0.53 0.00 0.42 0.00 0.00 57.03 56.53 2jts h ASP 77 Cb 0.51 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.45 2jts h ASP 77 CO 0.02 1.26 1.05 -0.63 -2.88 0.00 0.00 179.24 178.07 2jts s ILE 78 N -2.87 3.01 -0.29 2.25 1.09 -1.17 -4.88 121.20 118.34 2jts s ILE 78 Ca -0.04 0.38 0.12 0.00 -1.10 0.00 0.00 60.65 60.01 2jts s ILE 78 Cb 0.08 -3.25 0.74 0.00 -1.06 0.00 0.00 42.46 38.97 2jts s ILE 78 CO 0.87 -0.01 1.74 0.00 -0.10 0.00 0.00 174.94 177.44 2jts n ALA 79 N 6.01 4.23 -1.69 9.38 0.00 -1.26 -4.95 120.51 132.22 2jts n ALA 79 Ca 0.17 -2.27 -0.33 0.00 0.00 0.00 0.00 53.44 51.00 2jts n ALA 79 Cb 0.40 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.94 3.39 0.85 0.00 -1.94 -1.26 -5.05 119.30 112.36 2jts s MET 80 Ca 0.53 1.29 -0.13 0.00 -1.71 0.00 0.00 55.69 55.67 2jts s MET 80 Cb 0.42 -2.04 0.04 0.00 2.01 0.00 0.00 34.83 35.27 2jts s MET 80 CO 0.13 -0.76 0.72 -2.30 -0.01 0.00 0.00 175.02 172.80 2jts n PRO 81 N -1.75 -0.04 -4.14 2.03 -0.02 -1.26 -4.86 135.00 124.97 2jts n PRO 81 Ca 0.09 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 2jts n PRO 81 Cb 0.52 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 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 -3.64 0.74 0.18 -0.52 1.02 -1.26 -1.05 119.74 115.21 2jts s LYS 82 Ca 0.64 -1.20 0.02 0.00 0.02 0.00 0.00 55.97 55.45 2jts s LYS 82 Cb -0.27 -0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 2jts s LYS 82 CO 0.60 -0.02 0.00 0.08 -0.92 0.00 0.00 175.35 175.09 2jts s VAL 83 N -3.21 0.73 0.26 3.17 1.01 -0.17 -4.77 120.40 117.42 2jts s VAL 83 Ca 0.07 -1.99 -0.07 0.00 0.00 0.00 0.00 61.98 59.99 2jts s VAL 83 Cb 0.03 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2jts s VAL 83 CO -0.04 -0.45 0.38 -1.59 0.00 0.00 0.00 175.10 173.40 2jts s LYS 84 N -3.91 1.55 0.00 2.72 -2.85 -1.26 -0.54 119.74 115.45 2jts s LYS 84 Ca 0.25 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 2jts s LYS 84 Cb 0.06 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2jts s LYS 84 CO 0.05 -0.61 0.00 0.41 0.10 0.00 0.00 175.35 175.30