#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 0.51 0.03 0.00 2.02 -1.26 -2.89 118.70 117.10 2jts s GLU 2 Ca 0.00 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 2jts s GLU 2 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 2jts s GLU 2 CO 0.00 -0.12 0.01 -1.01 0.02 0.00 0.00 175.26 174.16 2jts s HIS 3 N -2.17 0.29 0.12 1.61 3.76 -0.75 -4.96 115.29 113.19 2jts s HIS 3 Ca -0.09 -0.62 0.09 0.00 -0.15 0.00 0.00 55.06 54.29 2jts s HIS 3 Cb -0.04 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 2jts s HIS 3 CO -0.03 -0.28 -0.23 -1.58 -0.85 0.00 0.00 174.74 171.77 2jts s TRP 4 N -2.28 2.00 -0.03 1.40 0.51 -1.23 -0.96 118.94 118.35 2jts s TRP 4 Ca -0.08 -0.40 -0.01 0.00 -2.12 0.00 0.00 56.10 53.48 2jts s TRP 4 Cb -0.04 -1.08 0.03 0.00 -0.81 0.00 0.00 33.47 31.57 2jts s TRP 4 CO -0.04 0.27 0.05 0.42 -0.51 0.00 0.00 176.95 177.14 2jts s ILE 5 N -1.19 -0.09 -0.45 2.03 -1.09 -0.70 -3.53 121.20 116.18 2jts s ILE 5 Ca 0.10 0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 58.59 2jts s ILE 5 Cb -0.10 -0.13 0.03 0.00 -1.58 0.00 0.00 42.46 40.69 2jts s ILE 5 CO 0.05 0.15 1.09 -0.62 -1.23 0.00 0.00 174.94 174.38 2jts s ASP 6 N 1.76 6.66 -0.23 3.58 2.15 -0.07 -1.32 116.67 129.20 2jts s ASP 6 Ca -0.00 0.51 0.14 0.00 0.43 0.00 0.00 52.55 53.63 2jts s ASP 6 Cb -0.12 -2.53 0.73 0.00 -0.30 0.00 0.00 42.92 40.70 2jts s ASP 6 CO -0.03 -1.16 1.67 1.33 -0.17 0.00 0.00 175.17 176.81 2jts n VAL 7 N 6.61 2.67 -3.51 1.11 0.24 -0.78 -0.45 118.33 124.22 2jts n VAL 7 Ca 0.11 -1.59 -0.14 0.00 -2.04 0.00 0.00 64.34 60.68 2jts n VAL 7 Cb 0.49 -0.28 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.19 0.96 -1.54 7.34 0.63 -1.26 -0.70 116.66 122.28 2jts n ARG 8 Ca 0.28 -1.89 -0.32 0.00 -0.92 0.00 0.00 57.85 55.00 2jts n ARG 8 Cb 1.14 0.11 0.07 0.00 0.45 0.00 0.00 32.46 34.23 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 -1.39 3.19 -0.11 5.15 -7.23 -1.26 -4.06 120.40 114.69 2jts s VAL 9 Ca 0.23 0.49 0.13 0.00 -1.81 0.00 0.00 61.98 61.01 2jts s VAL 9 Cb -0.02 -2.99 0.13 0.00 0.56 0.00 0.00 36.38 34.06 2jts s VAL 9 CO 0.14 -0.41 1.30 -2.65 -0.31 0.00 0.00 175.10 173.18 2jts n PRO 10 N -2.87 0.09 -0.34 4.82 -0.02 -1.26 -2.92 135.00 132.50 2jts n PRO 10 Ca 0.10 0.55 0.21 0.00 -2.02 0.00 0.00 63.50 62.34 2jts n PRO 10 Cb 0.52 -2.01 0.45 0.00 -0.02 0.00 0.00 33.50 32.44 2jts n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jts h GLU 11 N 0.00 0.46 0.04 -0.52 4.81 -2.00 0.44 114.58 117.81 2jts h GLU 11 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2jts h GLU 11 Cb 0.46 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2jts h GLU 11 CO 0.00 0.31 -0.27 -0.56 -0.73 0.00 0.00 179.01 177.76 2jts h GLN 12 N 0.48 0.08 -0.95 1.92 3.07 -1.85 -3.39 115.11 114.47 2jts h GLN 12 Ca 0.62 -0.14 0.10 0.00 0.09 0.00 0.00 58.65 59.32 2jts h GLN 12 Cb 1.40 0.05 -0.07 0.00 0.08 0.00 0.00 27.48 28.94 2jts h GLN 12 CO -0.38 1.07 0.61 -0.92 0.09 0.00 0.00 178.83 179.29 2jts h TYR 13 N -0.83 1.06 0.00 0.06 5.03 -1.25 0.40 116.97 121.44 2jts h TYR 13 Ca -0.05 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2jts h TYR 13 Cb 1.18 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 39.12 2jts h TYR 13 CO 0.25 0.48 0.00 1.04 -1.32 0.00 0.00 178.16 178.61 2jts n GLN 14 N -4.55 0.06 0.00 1.82 1.13 0.01 -0.85 117.38 114.99 2jts n GLN 14 Ca 0.16 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 2jts n GLN 14 Cb 0.30 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.15 2jts n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jts n GLN 15 N -1.39 1.99 -3.61 -1.09 10.64 -0.08 -4.34 117.38 119.49 2jts n GLN 15 Ca 0.03 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.09 2jts n GLN 15 Cb 0.08 -0.74 -0.06 0.00 -0.86 0.00 0.00 30.24 28.65 2jts n GLN 15 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2jts s GLU 16 N -1.47 0.59 0.03 2.61 -1.05 -0.07 -4.76 118.70 114.58 2jts s GLU 16 Ca 0.00 0.50 -0.06 0.00 -0.15 0.00 0.00 54.97 55.26 2jts s GLU 16 Cb 0.00 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2jts s GLU 16 CO 0.00 -0.11 0.10 -3.38 0.95 0.00 0.00 175.26 172.82 2jts s HIS 17 N -0.18 0.17 0.19 4.83 -3.43 0.33 -3.66 115.29 113.54 2jts s HIS 17 Ca 0.01 -0.42 -0.33 0.00 -0.80 0.00 0.00 55.06 53.52 2jts s HIS 17 Cb -0.04 -0.12 -0.14 0.00 -1.43 0.00 0.00 32.58 30.86 2jts s HIS 17 CO -0.03 -0.34 1.53 0.28 -2.00 0.00 0.00 174.74 174.19 2jts n VAL 18 N 0.98 0.32 -0.02 -5.38 0.31 -1.26 -1.09 118.33 112.19 2jts n VAL 18 Ca -0.20 -0.08 0.08 0.00 -0.01 0.00 0.00 64.34 64.12 2jts n VAL 18 Cb 0.58 -1.54 0.47 0.00 -0.91 0.00 0.00 33.84 32.43 2jts n VAL 18 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2jts h GLN 19 N 5.40 0.45 -0.52 5.55 -0.00 -1.44 -1.07 115.11 123.47 2jts h GLN 19 Ca -0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2jts h GLN 19 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.64 2jts h GLN 19 CO 0.85 0.30 0.00 0.41 0.00 0.00 0.00 178.83 180.38 2jts n GLY 20 N -1.50 1.39 3.58 2.39 0.00 -1.26 -4.95 105.19 104.84 2jts n GLY 20 Ca 0.06 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.60 3.07 -0.02 4.61 0.00 -0.41 -3.53 121.76 123.87 2jts s ALA 21 Ca 0.29 -2.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.11 2jts s ALA 21 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2jts s ALA 21 CO 0.16 0.03 0.08 0.96 0.00 0.00 0.00 175.76 177.00 2jts s ILE 22 N -2.61 0.02 -0.36 0.00 -4.36 -1.23 -4.86 121.20 107.80 2jts s ILE 22 Ca 0.34 -0.17 -0.29 0.00 -0.26 0.00 0.00 60.65 60.26 2jts s ILE 22 Cb 0.03 -0.18 0.02 0.00 1.25 0.00 0.00 42.46 43.59 2jts s ILE 22 CO 0.18 -0.09 1.09 0.21 0.24 0.00 0.00 174.94 176.56 2jts s ASN 23 N -0.27 6.85 -0.42 4.36 3.84 -1.26 -0.89 114.94 127.15 2jts s ASN 23 Ca -0.03 0.90 0.04 0.00 0.21 0.00 0.00 52.86 53.98 2jts s ASN 23 Cb -0.02 -2.55 0.17 0.00 -0.55 0.00 0.00 41.25 38.30 2jts s ASN 23 CO 0.00 -0.98 0.34 -0.63 -2.79 0.00 0.00 177.10 173.05 2jts s ILE 24 N 3.86 0.45 0.73 -5.21 1.01 0.40 -4.97 121.20 117.48 2jts s ILE 24 Ca 0.46 -2.69 -0.16 0.00 0.00 0.00 0.00 60.65 58.26 2jts s ILE 24 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2jts s ILE 24 CO 0.20 -1.22 0.72 -2.65 0.00 0.00 0.00 174.94 171.99 2jts n PRO 25 N 2.84 0.34 -0.35 2.79 -0.02 -1.26 -4.18 135.00 135.18 2jts n PRO 25 Ca 0.29 0.17 0.23 0.00 -2.02 0.00 0.00 63.50 62.16 2jts n PRO 25 Cb 0.47 -2.01 0.47 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.40 0.54 -0.51 2.45 5.85 -1.18 0.71 115.31 122.76 2jts h LEU 26 Ca -0.46 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2jts h LEU 26 Cb 1.34 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2jts h LEU 26 CO 0.44 -0.02 0.00 0.29 -0.34 0.00 0.00 178.44 178.81 2jts n LYS 27 N -4.88 0.13 0.00 1.25 4.76 -1.26 -3.60 118.16 114.56 2jts n LYS 27 Ca 0.29 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2jts n LYS 27 Cb 0.92 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 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 -2.00 2.38 -0.30 1.97 1.02 0.10 -4.81 120.64 119.00 2jts n GLU 28 Ca 0.02 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.41 2jts n GLU 28 Cb 0.20 -0.77 0.57 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.53 -0.29 2.62 3.04 -1.22 -0.50 116.25 120.43 2jts h VAL 29 Ca 0.00 -0.10 0.08 0.00 -1.01 0.00 0.00 66.70 65.67 2jts h VAL 29 Cb 0.00 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 2jts h VAL 29 CO 0.00 0.05 0.21 0.50 -1.01 0.00 0.00 177.57 177.32 2jts h LYS 30 N 0.29 0.00 0.00 4.17 3.64 -1.88 -2.58 116.57 120.21 2jts h LYS 30 Ca 0.55 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.84 2jts h LYS 30 Cb 1.59 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 2jts h LYS 30 CO -0.20 0.00 -1.36 0.39 -2.27 0.00 0.00 179.45 176.01 2jts n GLU 31 N -4.43 0.15 0.21 1.90 1.02 -0.51 -4.66 120.64 114.32 2jts n GLU 31 Ca 0.04 0.04 0.15 0.00 -0.02 0.00 0.00 57.16 57.37 2jts n GLU 31 Cb 0.37 -1.08 0.71 0.00 -0.02 0.00 0.00 31.44 31.42 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 -0.03 0.00 -0.80 3.49 3.08 -1.17 -0.99 114.38 117.96 2jts h ARG 32 Ca -0.14 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.05 2jts h ARG 32 Cb 1.21 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 2jts h ARG 32 CO -0.03 0.00 0.53 0.97 -1.07 0.00 0.00 179.97 180.36 2jts h ILE 33 N 0.00 0.81 0.00 2.04 6.09 -1.70 -1.22 117.51 123.53 2jts h ILE 33 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 2jts h ILE 33 Cb 0.22 0.26 0.00 0.00 0.47 0.00 0.00 36.82 37.77 2jts h ILE 33 CO 0.00 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.17 2jts n ALA 34 N -2.49 1.67 -0.66 0.18 0.00 -0.38 -0.61 120.51 118.22 2jts n ALA 34 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.59 2jts n ALA 34 Cb 0.51 -1.20 0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.36 1.45 0.01 0.00 -2.24 -0.48 -4.40 114.28 107.27 2jts n THR 35 Ca 0.05 -1.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 2jts n THR 35 Cb 0.11 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.00 3.00 -3.14 6.98 0.00 -0.68 -4.98 120.51 120.70 2jts n ALA 36 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 2jts n ALA 36 Cb 0.48 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.73 -0.51 0.24 0.00 0.31 0.22 -4.98 118.33 110.89 2jts n VAL 37 Ca 0.00 -3.86 0.07 0.00 -0.01 0.00 0.00 64.34 60.54 2jts n VAL 37 Cb 0.12 -1.20 0.59 0.00 -0.91 0.00 0.00 33.84 32.43 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 3.75 0.00 -5.76 5.55 0.13 -1.74 -3.28 132.00 130.65 2jts h PRO 38 Ca 0.05 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.62 2jts h PRO 38 Cb 0.92 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.98 2jts h PRO 38 CO 0.45 0.13 1.78 0.34 -0.23 0.00 0.00 178.00 180.47 2jts s ASP 39 N -6.83 6.22 0.58 1.44 2.15 -1.26 -4.83 116.67 114.14 2jts s ASP 39 Ca -0.04 -2.09 0.29 0.00 0.43 0.00 0.00 52.55 51.14 2jts s ASP 39 Cb 0.16 -2.58 1.48 0.00 -0.30 0.00 0.00 42.92 41.67 2jts s ASP 39 CO 0.67 -1.81 1.91 0.11 -0.17 0.00 0.00 175.17 175.87 2jts h LYS 40 N 8.48 0.00 0.00 4.34 1.57 -1.94 -1.09 116.57 127.93 2jts h LYS 40 Ca 0.35 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 2jts h LYS 40 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2jts h LYS 40 CO 1.38 0.00 -0.14 -0.97 -0.57 0.00 0.00 179.45 179.15 2jts h ASN 41 N 0.00 0.00 -4.10 0.86 -1.24 -1.90 -3.35 115.58 105.85 2jts h ASN 41 Ca 0.23 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.75 2jts h ASN 41 Cb 1.19 0.00 0.06 0.00 0.73 0.00 0.00 38.32 40.30 2jts h ASN 41 CO -0.00 0.14 0.41 -0.62 -1.29 0.00 0.00 177.43 176.07 2jts s ASP 42 N -6.13 5.86 0.28 1.15 2.15 -0.42 -4.55 116.67 115.01 2jts s ASP 42 Ca -0.02 2.08 -0.29 0.00 0.43 0.00 0.00 52.55 54.74 2jts s ASP 42 Cb 0.12 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 40.07 2jts s ASP 42 CO 0.59 -1.12 1.30 -0.89 -0.17 0.00 0.00 175.17 174.88 2jts s THR 43 N -1.90 2.94 -0.05 1.71 2.01 -1.14 -4.64 115.64 114.56 2jts s THR 43 Ca 0.70 0.87 0.02 0.00 0.31 0.00 0.00 61.69 63.59 2jts s THR 43 Cb -0.21 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2jts s THR 43 CO 0.26 0.18 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 2jts s VAL 44 N -0.64 0.93 -0.46 3.82 1.01 -0.53 -1.80 120.40 122.72 2jts s VAL 44 Ca 0.52 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2jts s VAL 44 Cb -0.38 -0.86 0.13 0.00 0.00 0.00 0.00 36.38 35.27 2jts s VAL 44 CO 0.46 0.30 0.23 -0.54 0.00 0.00 0.00 175.10 175.55 2jts s LYS 45 N 0.58 1.55 0.36 2.72 1.02 -0.13 -0.94 119.74 124.90 2jts s LYS 45 Ca -0.11 -2.21 -0.25 0.00 0.02 0.00 0.00 55.97 53.42 2jts s LYS 45 Cb -0.14 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.31 2jts s LYS 45 CO 0.02 -1.12 1.04 0.14 -0.92 0.00 0.00 175.35 174.52 2jts s VAL 46 N 0.18 3.74 0.11 3.17 -7.23 -0.81 -1.72 120.40 117.84 2jts s VAL 46 Ca 0.17 1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 61.69 2jts s VAL 46 Cb -0.25 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 2jts s VAL 46 CO -0.01 0.11 0.19 -0.72 -0.31 0.00 0.00 175.10 174.36 2jts s TYR 47 N -1.54 0.32 0.28 2.82 1.13 -0.43 -0.73 117.35 119.20 2jts s TYR 47 Ca 0.54 -0.73 -0.13 0.00 -1.41 0.00 0.00 57.07 55.34 2jts s TYR 47 Cb -0.24 -0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.51 2jts s TYR 47 CO 0.30 -0.59 0.55 0.00 -2.51 0.00 0.00 175.55 173.30 2jts h ASN 49 N 2.16 0.00 0.00 0.00 -1.24 -1.94 0.14 115.58 114.71 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 -2.35 1.51 0.00 1.57 0.00 -1.26 -4.34 120.51 115.63 2jts n ALA 50 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2jts n ALA 50 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 0.04 1.08 0.21 0.00 0.00 -1.16 -4.70 105.19 100.66 2jts n GLY 51 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.68 0.00 1.61 9.65 -1.90 -1.96 114.38 122.46 2jts h ARG 52 Ca 0.00 -0.13 -0.12 0.00 -1.10 0.00 0.00 59.98 58.63 2jts h ARG 52 Cb 0.00 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 2jts h ARG 52 CO 0.00 0.63 -0.59 1.96 2.80 0.00 0.00 179.97 184.77 2jts h GLN 53 N 0.59 0.00 -0.09 0.20 4.20 -1.94 0.19 115.11 118.26 2jts h GLN 53 Ca 0.15 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 2jts h GLN 53 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2jts h GLN 53 CO -0.01 0.59 -0.47 0.66 -0.67 0.00 0.00 178.83 178.92 2jts h SER 54 N 0.00 0.24 -0.43 1.46 4.64 -1.83 -0.16 113.55 117.47 2jts h SER 54 Ca -0.01 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2jts h SER 54 Cb 1.10 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2jts h SER 54 CO 0.08 0.68 0.07 1.23 -0.87 0.00 0.00 176.83 178.02 2jts h GLY 55 N 1.32 0.50 1.01 -0.77 0.00 -0.38 0.08 103.07 104.83 2jts h GLY 55 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2jts h GLY 55 CO 0.07 -0.06 0.24 1.46 0.00 0.00 0.00 176.54 178.26 2jts h GLN 56 N 0.20 0.98 -0.39 4.80 4.20 -0.44 -0.58 115.11 123.88 2jts h GLN 56 Ca 0.21 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2jts h GLN 56 Cb 0.27 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2jts h GLN 56 CO -0.29 0.83 0.15 0.00 -0.67 0.00 0.00 178.83 178.85 2jts h ALA 57 N 1.10 1.52 -0.40 3.87 0.00 -0.62 0.19 119.26 124.92 2jts h ALA 57 Ca 0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2jts h ALA 57 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jts h ALA 57 CO -0.01 0.37 -0.22 -0.22 0.00 0.00 0.00 179.25 179.16 2jts h LYS 58 N 0.56 0.85 -0.57 0.00 3.11 -0.22 -0.36 116.57 119.94 2jts h LYS 58 Ca 0.14 -0.39 0.01 0.00 -2.81 0.00 0.00 60.65 57.60 2jts h LYS 58 Cb 0.13 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.32 2jts h LYS 58 CO -0.01 1.03 0.38 0.93 -2.81 0.00 0.00 179.45 178.96 2jts h GLU 59 N 0.66 0.75 0.13 1.90 5.08 -0.37 0.12 114.58 122.85 2jts h GLU 59 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jts h GLU 59 Cb 0.79 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2jts h GLU 59 CO 0.06 0.50 -0.12 0.82 -1.00 0.00 0.00 179.01 179.27 2jts h ILE 60 N 0.77 0.73 0.00 3.13 2.04 -0.83 -2.76 117.51 120.59 2jts h ILE 60 Ca 0.21 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.01 2jts h ILE 60 Cb -0.09 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2jts h ILE 60 CO -0.05 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.73 2jts h LEU 61 N -0.27 0.00 -0.98 1.44 3.38 -0.77 -1.81 115.31 116.30 2jts h LEU 61 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jts h LEU 61 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2jts h LEU 61 CO -0.03 0.31 0.48 0.28 0.09 0.00 0.00 178.44 179.57 2jts h SER 62 N 0.00 1.07 -0.36 -0.43 0.02 -0.52 -1.10 113.55 112.23 2jts h SER 62 Ca -0.00 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2jts h SER 62 Cb 0.69 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2jts h SER 62 CO 0.04 0.85 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.26 2jts h GLU 63 N 1.21 0.81 0.00 3.45 4.81 -1.07 -3.17 114.58 120.61 2jts h GLU 63 Ca 0.31 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2jts h GLU 63 Cb 0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jts h GLU 63 CO -0.05 1.01 0.00 0.00 -0.73 0.00 0.00 179.01 179.24 2jts h MET 64 N 0.60 0.00 0.00 1.92 -0.00 -1.08 -3.46 114.93 112.92 2jts h MET 64 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 2jts h MET 64 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 2jts h MET 64 CO 0.07 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.39 2jts n GLY 65 N 0.56 0.57 3.53 -3.00 0.00 -0.54 -5.09 105.19 101.22 2jts n GLY 65 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.30 0.00 1.61 4.11 -0.53 -4.96 117.16 117.10 2jts n TYR 66 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 57.90 58.23 2jts n TYR 66 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 39.34 37.41 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 -3.32 0.00 -2.51 -3.48 -2.24 -1.26 -4.94 114.28 96.52 2jts n THR 67 Ca 0.10 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 2jts n THR 67 Cb 0.52 -0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.58 2jts n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jts n HIS 68 N -1.96 0.85 -2.99 4.78 8.25 -1.26 -5.05 115.22 117.84 2jts n HIS 68 Ca 0.00 -1.50 -0.40 0.00 -0.26 0.00 0.00 57.72 55.57 2jts n HIS 68 Cb 0.00 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 30.84 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 -2.46 4.67 0.01 1.59 1.01 -1.26 -1.45 120.40 122.50 2jts s VAL 69 Ca 0.33 1.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.94 2jts s VAL 69 Cb 0.36 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2jts s VAL 69 CO -0.08 0.40 -0.01 -1.61 0.00 0.00 0.00 175.10 173.79 2jts s GLU 70 N -0.28 0.22 -0.38 2.72 0.41 -0.11 -4.95 118.70 116.33 2jts s GLU 70 Ca 0.38 -0.41 -0.29 0.00 -0.41 0.00 0.00 54.97 54.24 2jts s GLU 70 Cb -0.21 0.08 0.02 0.00 -1.78 0.00 0.00 34.13 32.24 2jts s GLU 70 CO 0.23 -0.04 1.09 1.21 -0.49 0.00 0.00 175.26 177.27 2jts s ASN 71 N -1.00 6.81 0.36 -0.19 2.47 -1.26 -1.92 114.94 120.20 2jts s ASN 71 Ca -0.11 0.81 0.10 0.00 0.42 0.00 0.00 52.86 54.08 2jts s ASN 71 Cb -0.07 -2.54 0.68 0.00 -1.45 0.00 0.00 41.25 37.87 2jts s ASN 71 CO -0.01 -1.02 1.83 0.00 -3.72 0.00 0.00 177.10 174.18 2jts h ALA 72 N 8.54 1.37 0.00 1.71 0.00 -1.23 -3.48 119.26 126.17 2jts h ALA 72 Ca -0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jts h ALA 72 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jts h ALA 72 CO 1.07 0.45 0.00 0.41 0.00 0.00 0.00 179.25 181.18 2jts n GLY 73 N -0.56 0.80 3.91 0.00 0.00 -1.26 -4.83 105.19 103.26 2jts n GLY 73 Ca -0.01 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 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 1.49 0.45 -0.02 0.00 -1.26 -3.71 107.32 104.27 2jts s GLY 74 Ca 0.00 -0.56 0.24 0.00 0.00 0.00 0.00 44.72 44.39 2jts s GLY 74 CO 0.00 -0.40 1.81 -2.00 0.00 0.00 0.00 173.10 172.51 2jts h LEU 75 N 0.24 0.29 0.00 0.66 5.85 -0.91 0.16 115.31 121.61 2jts h LEU 75 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2jts h LEU 75 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2jts h LEU 75 CO 0.61 0.07 0.00 0.29 -0.34 0.00 0.00 178.44 179.08 2jts n LYS 76 N -4.47 0.01 0.00 1.25 5.02 -1.26 -3.63 118.16 115.07 2jts n LYS 76 Ca 0.23 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2jts n LYS 76 Cb 0.93 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2jts n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jts n ASP 77 N -1.49 3.78 -4.56 4.39 2.03 0.52 -4.86 116.55 116.36 2jts n ASP 77 Ca 0.02 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.05 2jts n ASP 77 Cb 0.11 0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 40.94 2jts n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jts s ILE 78 N -1.69 3.51 -0.26 5.18 1.09 -0.95 -4.81 121.20 123.27 2jts s ILE 78 Ca 0.00 -0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.12 2jts s ILE 78 Cb 0.00 -4.14 0.00 0.00 -1.06 0.00 0.00 42.46 37.26 2jts s ILE 78 CO 0.00 -1.07 0.81 0.00 -0.10 0.00 0.00 174.94 174.58 2jts n ALA 79 N 13.35 2.42 -1.58 9.38 0.00 -1.26 -4.86 120.51 137.95 2jts n ALA 79 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 2jts n ALA 79 Cb 0.47 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.21 3.04 0.78 0.00 -1.94 -1.26 -5.04 119.30 114.67 2jts s MET 80 Ca 0.00 1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 55.01 2jts s MET 80 Cb 0.00 -2.00 -0.00 0.00 2.01 0.00 0.00 34.83 34.84 2jts s MET 80 CO 0.00 -1.03 0.65 -2.30 -0.01 0.00 0.00 175.02 172.32 2jts n PRO 81 N -2.48 0.19 -4.17 2.03 -0.02 -1.26 -4.84 135.00 124.45 2jts n PRO 81 Ca 0.09 0.11 -0.15 0.00 -2.02 0.00 0.00 63.50 61.54 2jts n PRO 81 Cb 0.53 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 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 -3.19 0.83 0.33 -0.52 1.02 -1.26 -1.12 119.74 115.83 2jts s LYS 82 Ca 0.66 -1.13 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2jts s LYS 82 Cb -0.31 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 2jts s LYS 82 CO 0.58 0.09 0.13 0.08 -0.92 0.00 0.00 175.35 175.31 2jts s VAL 83 N -2.29 0.56 0.05 3.17 1.01 -0.25 -4.82 120.40 117.84 2jts s VAL 83 Ca 0.04 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.09 2jts s VAL 83 Cb -0.04 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2jts s VAL 83 CO 0.00 0.00 -0.20 -0.54 0.00 0.00 0.00 175.10 174.36 2jts s LYS 84 N -3.83 1.28 0.00 2.72 1.02 -1.26 -0.51 119.74 119.15 2jts s LYS 84 Ca 0.33 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2jts s LYS 84 Cb 0.05 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 2jts s LYS 84 CO 0.16 0.35 0.41 0.41 -0.92 0.00 0.00 175.35 175.76