#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 1.24 0.49 0.00 1.03 -1.26 -4.74 118.70 115.46 2jts s GLU 2 Ca 0.00 -0.96 -0.19 0.00 0.03 0.00 0.00 54.97 53.85 2jts s GLU 2 Cb 0.00 0.46 -0.08 0.00 -0.80 0.00 0.00 34.13 33.70 2jts s GLU 2 CO 0.00 -0.50 1.01 -1.01 -1.33 0.00 0.00 175.26 173.43 2jts s HIS 3 N -3.90 3.17 -0.04 4.83 3.76 -0.74 -4.93 115.29 117.44 2jts s HIS 3 Ca 0.11 1.55 0.04 0.00 -0.15 0.00 0.00 55.06 56.62 2jts s HIS 3 Cb 0.01 -2.94 -0.00 0.00 1.11 0.00 0.00 32.58 30.75 2jts s HIS 3 CO -0.03 -0.59 -0.17 -1.58 -0.85 0.00 0.00 174.74 171.52 2jts s TRP 4 N -2.24 1.68 -0.05 1.40 0.52 -1.26 -0.83 118.94 118.17 2jts s TRP 4 Ca 0.64 -0.48 -0.00 0.00 0.02 0.00 0.00 56.10 56.27 2jts s TRP 4 Cb -0.13 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 31.08 2jts s TRP 4 CO 0.23 -0.16 -0.00 0.42 0.02 0.00 0.00 176.95 177.46 2jts s ILE 5 N 0.04 0.27 -0.22 2.03 -1.09 -0.75 -3.44 121.20 118.05 2jts s ILE 5 Ca -0.04 0.10 -0.25 0.00 -2.23 0.00 0.00 60.65 58.23 2jts s ILE 5 Cb -0.11 -0.39 -0.01 0.00 -1.58 0.00 0.00 42.46 40.37 2jts s ILE 5 CO 0.02 0.20 0.84 -0.62 -1.23 0.00 0.00 174.94 174.15 2jts s ASP 6 N 1.42 6.87 -0.20 3.58 2.15 -0.11 -3.47 116.67 126.91 2jts s ASP 6 Ca -0.04 1.08 0.15 0.00 0.43 0.00 0.00 52.55 54.18 2jts s ASP 6 Cb -0.13 -2.44 0.53 0.00 -0.30 0.00 0.00 42.92 40.57 2jts s ASP 6 CO -0.03 -0.49 1.44 1.33 -0.17 0.00 0.00 175.17 177.25 2jts n VAL 7 N 5.12 2.35 -3.51 1.11 0.24 -1.20 -0.45 118.33 121.99 2jts n VAL 7 Ca 0.05 -2.04 -0.09 0.00 -2.04 0.00 0.00 64.34 60.22 2jts n VAL 7 Cb 0.48 -0.27 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 -0.65 1.11 -1.61 7.34 0.63 -1.26 -0.45 116.66 121.76 2jts n ARG 8 Ca 0.24 -1.27 -0.35 0.00 -0.92 0.00 0.00 57.85 55.55 2jts n ARG 8 Cb 0.93 0.09 0.08 0.00 0.45 0.00 0.00 32.46 34.01 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 -0.87 2.23 -0.49 5.15 -7.23 -1.26 -4.06 120.40 113.86 2jts s VAL 9 Ca 0.14 0.13 0.17 0.00 -1.81 0.00 0.00 61.98 60.61 2jts s VAL 9 Cb -0.01 -2.87 0.17 0.00 0.56 0.00 0.00 36.38 34.23 2jts s VAL 9 CO 0.09 -0.05 1.52 -0.81 -0.31 0.00 0.00 175.10 175.55 2jts n PRO 10 N -2.28 0.11 -0.33 4.82 -0.04 -1.26 -2.25 135.00 133.77 2jts n PRO 10 Ca 0.14 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 64.21 2jts n PRO 10 Cb 0.49 -1.81 0.27 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.92 -0.13 0.54 4.81 -2.00 0.04 114.58 118.76 2jts h GLU 11 Ca 0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2jts h GLU 11 Cb 0.10 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2jts h GLU 11 CO 0.00 0.61 -0.00 -0.56 -0.73 0.00 0.00 179.01 178.33 2jts h GLN 12 N 0.95 0.23 -0.83 1.92 3.07 -1.78 -3.23 115.11 115.43 2jts h GLN 12 Ca 0.46 -0.08 0.09 0.00 0.09 0.00 0.00 58.65 59.21 2jts h GLN 12 Cb 0.46 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.94 2jts h GLN 12 CO -0.22 0.47 0.54 -0.92 0.09 0.00 0.00 178.83 178.79 2jts h TYR 13 N -0.03 0.87 0.23 0.06 3.20 -1.35 -0.30 116.97 119.65 2jts h TYR 13 Ca 0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2jts h TYR 13 Cb 0.37 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2jts h TYR 13 CO 0.03 0.42 -0.16 0.37 -1.64 0.00 0.00 178.16 177.19 2jts h GLN 14 N 0.82 -0.37 -0.02 1.82 5.75 -1.09 -2.58 115.11 119.44 2jts h GLN 14 Ca 0.38 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.88 2jts h GLN 14 Cb 0.38 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.01 2jts h GLN 14 CO -0.15 -0.25 -0.06 -0.56 -2.65 0.00 0.00 178.83 175.16 2jts h GLN 15 N -0.39 0.08 -1.97 1.69 3.07 -1.23 -0.88 115.11 115.47 2jts h GLN 15 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 2jts h GLN 15 Cb 0.33 0.01 -0.19 0.00 0.08 0.00 0.00 27.48 27.71 2jts h GLN 15 CO 0.01 0.67 0.32 -1.83 0.09 0.00 0.00 178.83 178.09 2jts s GLU 16 N -3.76 0.93 0.04 0.06 1.03 -0.25 -4.30 118.70 112.43 2jts s GLU 16 Ca -0.16 0.13 0.00 0.00 0.03 0.00 0.00 54.97 54.97 2jts s GLU 16 Cb 0.01 0.43 -0.03 0.00 -0.80 0.00 0.00 34.13 33.75 2jts s GLU 16 CO 0.70 -0.31 -0.04 -3.38 -1.33 0.00 0.00 175.26 170.90 2jts s HIS 17 N -1.50 0.44 0.12 4.83 -3.43 -0.11 -3.86 115.29 111.77 2jts s HIS 17 Ca -0.06 -0.68 -0.34 0.00 -0.80 0.00 0.00 55.06 53.18 2jts s HIS 17 Cb -0.00 -0.30 -0.13 0.00 -1.43 0.00 0.00 32.58 30.72 2jts s HIS 17 CO 0.04 -0.21 1.63 0.28 -2.00 0.00 0.00 174.74 174.48 2jts n VAL 18 N 1.11 0.10 -1.83 -5.38 0.31 -1.26 -1.13 118.33 110.24 2jts n VAL 18 Ca -0.21 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 2jts n VAL 18 Cb 0.57 -1.60 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 2jts n VAL 18 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2jts s GLN 19 N 1.43 2.97 0.00 5.55 -0.44 -0.09 -1.29 119.66 127.80 2jts s GLN 19 Ca 0.81 1.46 0.00 0.00 -2.50 0.00 0.00 55.36 55.13 2jts s GLN 19 Cb -0.68 -4.34 0.00 0.00 -1.64 0.00 0.00 33.01 26.36 2jts s GLN 19 CO 0.40 -2.29 0.00 0.41 0.50 0.00 0.00 175.29 174.31 2jts n GLY 20 N 5.65 1.81 3.84 2.59 0.00 -1.26 -4.88 105.19 112.93 2jts n GLY 20 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.58 2.53 -0.00 4.61 0.00 -0.41 -4.55 121.76 122.36 2jts s ALA 21 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2jts s ALA 21 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2jts s ALA 21 CO 0.00 -1.48 0.00 0.96 0.00 0.00 0.00 175.76 175.24 2jts s ILE 22 N -3.25 0.01 -0.30 0.00 -4.36 -1.22 -4.91 121.20 107.17 2jts s ILE 22 Ca 0.60 0.02 -0.29 0.00 -0.26 0.00 0.00 60.65 60.71 2jts s ILE 22 Cb -0.13 -0.03 0.01 0.00 1.25 0.00 0.00 42.46 43.56 2jts s ILE 22 CO 0.53 0.01 1.21 0.21 0.24 0.00 0.00 174.94 177.15 2jts s ASN 23 N 0.10 6.79 -0.39 4.36 3.84 -1.26 -0.94 114.94 127.44 2jts s ASN 23 Ca -0.01 1.17 0.03 0.00 0.21 0.00 0.00 52.86 54.26 2jts s ASN 23 Cb -0.01 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.30 2jts s ASN 23 CO -0.00 -0.99 0.31 -0.63 -2.79 0.00 0.00 177.10 173.00 2jts s ILE 24 N 4.05 0.17 0.62 -5.21 1.01 0.41 -4.96 121.20 117.28 2jts s ILE 24 Ca 0.52 -2.16 -0.18 0.00 0.00 0.00 0.00 60.65 58.83 2jts s ILE 24 Cb -0.15 -1.12 -0.06 0.00 0.01 0.00 0.00 42.46 41.14 2jts s ILE 24 CO 0.20 -1.07 0.71 -2.65 0.00 0.00 0.00 174.94 172.13 2jts n PRO 25 N 3.35 0.61 -0.33 2.79 -0.02 -1.26 -4.15 135.00 135.99 2jts n PRO 25 Ca 0.22 0.24 0.17 0.00 -2.02 0.00 0.00 63.50 62.11 2jts n PRO 25 Cb 0.44 -1.93 0.37 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.18 0.53 -1.05 2.45 5.85 -1.03 0.11 115.31 122.35 2jts h LEU 26 Ca -0.47 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2jts h LEU 26 Cb 1.38 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2jts h LEU 26 CO 0.48 0.03 0.00 0.29 -0.34 0.00 0.00 178.44 178.90 2jts n LYS 27 N -4.97 0.17 0.00 1.25 4.76 -1.26 -3.29 118.16 114.81 2jts n LYS 27 Ca 0.26 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2jts n LYS 27 Cb 0.74 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.24 2.33 -0.32 1.97 1.02 0.16 -4.81 120.64 118.75 2jts n GLU 28 Ca 0.00 -0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 2jts n GLU 28 Cb 0.13 -0.33 0.32 0.00 -0.02 0.00 0.00 31.44 31.54 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 0.12 0.84 -0.05 2.62 3.04 -0.98 0.01 116.25 121.85 2jts h VAL 29 Ca 0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 66.70 65.43 2jts h VAL 29 Cb 0.06 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.30 2jts h VAL 29 CO 0.00 0.15 0.05 0.50 -1.01 0.00 0.00 177.57 177.26 2jts h LYS 30 N 0.81 0.00 -0.02 4.17 3.64 -1.87 -0.05 116.57 123.26 2jts h LYS 30 Ca 0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2jts h LYS 30 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2jts h LYS 30 CO -0.25 0.00 -0.16 0.39 -2.27 0.00 0.00 179.45 177.15 2jts n GLU 31 N -3.99 1.53 0.00 1.90 -0.58 -0.04 -4.65 120.64 114.81 2jts n GLU 31 Ca -0.02 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.53 2jts n GLU 31 Cb 0.15 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.45 2.82 -0.05 3.49 1.74 -0.86 -4.72 116.66 119.54 2jts n ARG 32 Ca 0.09 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 2jts n ARG 32 Cb 0.39 -0.71 0.46 0.00 -1.02 0.00 0.00 32.46 31.58 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 0.99 0.00 0.55 6.09 -1.28 -0.97 117.51 122.89 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 0.15 0.46 0.00 0.00 0.47 0.00 0.00 36.82 37.90 2jts h ILE 33 CO 0.00 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.17 2jts h ALA 34 N 1.71 1.00 0.00 0.18 0.00 -1.82 0.13 119.26 120.47 2jts h ALA 34 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2jts h ALA 34 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jts h ALA 34 CO -0.06 0.00 -1.34 0.25 0.00 0.00 0.00 179.25 178.10 2jts n THR 35 N -2.55 0.30 -0.06 0.00 -2.24 -0.77 -3.76 114.28 105.21 2jts n THR 35 Ca -0.01 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 2jts n THR 35 Cb 0.09 -0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.29 0.56 -2.07 6.98 0.00 -0.89 -3.38 119.26 120.75 2jts h ALA 36 Ca -0.12 -0.51 -0.56 0.00 0.00 0.00 0.00 54.91 53.72 2jts h ALA 36 Cb 1.17 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.49 2jts h ALA 36 CO 0.01 0.68 -1.06 0.28 0.00 0.00 0.00 179.25 179.16 2jts n VAL 37 N -4.00 -0.83 -0.26 0.00 0.31 0.44 -5.01 118.33 108.97 2jts n VAL 37 Ca -0.04 -3.80 0.04 0.00 -0.01 0.00 0.00 64.34 60.53 2jts n VAL 37 Cb 0.61 -1.81 0.26 0.00 -0.91 0.00 0.00 33.84 31.99 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 4.46 0.95 -5.97 5.55 0.11 -1.69 -3.35 132.00 132.06 2jts h PRO 38 Ca 0.12 -0.06 -0.62 0.00 0.11 0.00 0.00 66.00 65.56 2jts h PRO 38 Cb 0.89 -0.21 -0.11 0.00 0.11 0.00 0.00 31.00 31.68 2jts h PRO 38 CO 0.43 0.63 1.51 0.34 -0.21 0.00 0.00 178.00 180.70 2jts s ASP 39 N -6.12 6.55 0.00 -2.05 2.15 -1.26 -4.85 116.67 111.09 2jts s ASP 39 Ca -0.11 -1.62 0.08 0.00 0.43 0.00 0.00 52.55 51.33 2jts s ASP 39 Cb 0.19 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.68 2jts s ASP 39 CO 0.79 -1.43 1.11 2.29 -0.17 0.00 0.00 175.17 177.76 2jts n LYS 40 N 8.60 0.14 0.21 4.34 2.85 -1.26 -1.37 118.16 131.67 2jts n LYS 40 Ca 0.34 0.18 0.13 0.00 -1.05 0.00 0.00 58.31 57.91 2jts n LYS 40 Cb 0.50 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.74 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 -4.14 -5.58 -1.24 -1.89 -2.36 115.58 100.38 2jts h ASN 41 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2jts h ASN 41 Cb 0.07 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.17 2jts h ASN 41 CO 0.00 0.00 0.39 -0.62 -1.29 0.00 0.00 177.43 175.91 2jts s ASP 42 N -5.64 5.86 0.51 1.15 2.15 -0.47 -4.77 116.67 115.47 2jts s ASP 42 Ca 0.06 1.95 -0.20 0.00 0.43 0.00 0.00 52.55 54.79 2jts s ASP 42 Cb 0.08 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.07 2jts s ASP 42 CO 0.61 -1.11 1.10 -0.89 -0.17 0.00 0.00 175.17 174.70 2jts s THR 43 N -2.15 3.37 0.04 1.71 2.01 -1.26 -4.56 115.64 114.80 2jts s THR 43 Ca 0.67 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.58 2jts s THR 43 Cb -0.18 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2jts s THR 43 CO 0.30 -0.16 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.26 2jts s VAL 44 N -1.81 0.92 0.04 3.82 1.01 -0.81 -1.79 120.40 121.78 2jts s VAL 44 Ca 0.70 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2jts s VAL 44 Cb -0.22 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2jts s VAL 44 CO 0.25 -0.11 -0.15 -0.54 0.00 0.00 0.00 175.10 174.56 2jts s LYS 45 N -1.24 1.01 0.06 2.72 1.02 -0.01 -2.86 119.74 120.45 2jts s LYS 45 Ca -0.01 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.26 2jts s LYS 45 Cb -0.08 -1.03 -0.03 0.00 -0.52 0.00 0.00 37.83 36.17 2jts s LYS 45 CO 0.01 0.26 -0.15 0.14 -0.92 0.00 0.00 175.35 174.69 2jts s VAL 46 N -0.82 1.17 0.20 3.17 -7.23 -0.89 -1.82 120.40 114.19 2jts s VAL 46 Ca 0.03 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 2jts s VAL 46 Cb -0.08 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.76 2jts s VAL 46 CO 0.01 -0.13 0.40 -0.72 -0.31 0.00 0.00 175.10 174.35 2jts s TYR 47 N -1.13 0.27 0.28 2.82 1.13 -1.23 -0.86 117.35 118.64 2jts s TYR 47 Ca -0.00 -0.63 -0.20 0.00 -1.41 0.00 0.00 57.07 54.83 2jts s TYR 47 Cb -0.09 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.93 2jts s TYR 47 CO 0.02 -0.86 0.79 0.00 -2.51 0.00 0.00 175.55 172.99 2jts h ASN 49 N 2.00 -0.53 0.32 0.00 -0.73 -1.93 -1.76 115.58 112.95 2jts h ASN 49 Ca -0.23 0.09 -0.21 0.00 1.87 0.00 0.00 56.30 57.81 2jts h ASN 49 Cb 1.25 0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.07 2jts h ASN 49 CO 0.28 -0.23 -0.88 0.00 -0.37 0.00 0.00 177.43 176.23 2jts h ALA 50 N 0.71 0.43 0.00 1.57 0.00 -1.97 -3.32 119.26 116.67 2jts h ALA 50 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jts h ALA 50 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jts h ALA 50 CO -0.21 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2jts n GLY 51 N 0.84 0.90 0.00 0.00 0.00 -1.11 -4.53 105.19 101.29 2jts n GLY 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jts n GLY 51 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jts n ARG 52 N -2.11 1.95 0.01 1.61 1.85 -1.26 -4.38 116.66 114.33 2jts n ARG 52 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 2jts n ARG 52 Cb 0.00 -0.90 0.46 0.00 -1.05 0.00 0.00 32.46 30.97 2jts n ARG 52 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2jts h GLN 53 N 0.00 0.46 -0.50 2.89 7.50 -1.94 0.63 115.11 124.16 2jts h GLN 53 Ca 0.00 -0.03 -0.09 0.00 0.50 0.00 0.00 58.65 59.03 2jts h GLN 53 Cb 0.29 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 2jts h GLN 53 CO 0.00 0.31 -0.05 0.66 -1.50 0.00 0.00 178.83 178.25 2jts h SER 54 N 0.48 0.84 -0.39 1.46 4.64 -1.82 0.28 113.55 119.04 2jts h SER 54 Ca 0.15 -0.23 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2jts h SER 54 Cb 0.03 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 2jts h SER 54 CO -0.04 0.93 0.09 1.23 -0.87 0.00 0.00 176.83 178.18 2jts h GLY 55 N 0.98 0.47 0.91 -0.77 0.00 -1.18 0.10 103.07 103.58 2jts h GLY 55 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jts h GLY 55 CO 0.03 -0.02 -0.04 1.46 0.00 0.00 0.00 176.54 177.96 2jts h GLN 56 N 0.22 -0.12 -0.70 4.80 4.20 -0.66 -2.79 115.11 120.07 2jts h GLN 56 Ca 0.19 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2jts h GLN 56 Cb 0.22 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2jts h GLN 56 CO -0.24 0.01 0.45 0.00 -0.67 0.00 0.00 178.83 178.38 2jts h ALA 57 N 0.69 1.47 -0.90 3.87 0.00 -0.76 -2.10 119.26 121.53 2jts h ALA 57 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jts h ALA 57 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2jts h ALA 57 CO 0.02 0.48 0.50 -0.22 0.00 0.00 0.00 179.25 180.03 2jts h LYS 58 N 0.96 1.24 -0.13 0.00 3.11 -0.55 0.09 116.57 121.28 2jts h LYS 58 Ca 0.26 -0.14 -0.16 0.00 -2.81 0.00 0.00 60.65 57.80 2jts h LYS 58 Cb -0.09 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 30.89 2jts h LYS 58 CO -0.05 0.90 -0.60 0.93 -2.81 0.00 0.00 179.45 177.82 2jts h GLU 59 N 1.25 0.44 -0.11 1.90 4.39 -1.15 -0.91 114.58 120.39 2jts h GLU 59 Ca 0.32 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.74 2jts h GLU 59 Cb 0.01 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2jts h GLU 59 CO -0.05 0.91 -0.01 0.82 -1.16 0.00 0.00 179.01 179.52 2jts h ILE 60 N 0.33 0.92 -0.29 3.13 2.04 -0.74 -0.54 117.51 122.36 2jts h ILE 60 Ca -0.00 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2jts h ILE 60 Cb 1.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2jts h ILE 60 CO 0.11 0.01 -0.16 -0.07 0.00 0.00 0.00 178.15 178.03 2jts h LEU 61 N 0.03 0.50 -0.62 1.44 3.38 -0.84 -0.45 115.31 118.76 2jts h LEU 61 Ca 0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2jts h LEU 61 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2jts h LEU 61 CO -0.09 0.69 0.17 0.28 0.09 0.00 0.00 178.44 179.58 2jts h SER 62 N 0.47 0.92 -0.42 -0.43 0.02 -0.89 -1.08 113.55 112.15 2jts h SER 62 Ca 0.08 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2jts h SER 62 Cb 0.55 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2jts h SER 62 CO 0.04 0.90 0.01 -0.08 -1.14 0.00 0.00 176.83 176.56 2jts h GLU 63 N 0.90 0.81 0.00 3.45 4.57 -0.45 -1.09 114.58 122.77 2jts h GLU 63 Ca 0.20 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jts h GLU 63 Cb 0.32 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2jts h GLU 63 CO -0.00 0.81 0.00 -1.33 -1.18 0.00 0.00 179.01 177.30 2jts n MET 64 N -4.22 0.40 -0.81 1.92 2.81 -0.24 -4.89 117.12 112.10 2jts n MET 64 Ca 0.03 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2jts n MET 64 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.16 0.54 3.69 3.03 0.00 -0.41 -5.02 105.19 107.18 2jts n GLY 65 Ca 0.11 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 2.23 0.33 1.61 1.51 -0.48 -4.87 117.35 115.68 2jts s TYR 66 Ca 0.00 0.10 0.14 0.00 -1.01 0.00 0.00 57.07 56.30 2jts s TYR 66 Cb 0.00 -4.09 0.70 0.00 -0.11 0.00 0.00 41.96 38.46 2jts s TYR 66 CO 0.00 -4.49 1.79 1.79 -1.11 0.00 0.00 175.55 173.54 2jts h THR 67 N 4.77 1.19 -1.98 -0.71 1.35 -1.69 -3.41 112.91 112.44 2jts h THR 67 Ca -0.45 -1.41 -0.20 0.00 -0.55 0.00 0.00 66.41 63.80 2jts h THR 67 Cb 1.21 1.78 -0.31 0.00 -1.73 0.00 0.00 68.15 69.10 2jts h THR 67 CO 0.94 0.39 -0.53 -2.28 -0.25 0.00 0.00 175.52 173.79 2jts s HIS 68 N -4.00 -0.74 0.01 4.73 5.65 -1.26 -5.11 115.29 114.57 2jts s HIS 68 Ca -0.02 0.53 0.01 0.00 0.25 0.00 0.00 55.06 55.82 2jts s HIS 68 Cb 0.13 -0.13 -0.01 0.00 -1.18 0.00 0.00 32.58 31.40 2jts s HIS 68 CO 0.72 -0.78 -0.04 0.08 -0.65 0.00 0.00 174.74 174.07 2jts s VAL 69 N 2.49 0.23 -0.02 0.89 1.01 -1.26 -1.93 120.40 121.81 2jts s VAL 69 Ca 0.11 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2jts s VAL 69 Cb -0.15 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.97 2jts s VAL 69 CO -0.20 -0.16 0.13 -0.70 0.00 0.00 0.00 175.10 174.17 2jts s GLU 70 N -0.67 0.35 -0.36 2.72 2.56 -1.13 -5.01 118.70 117.14 2jts s GLU 70 Ca -0.05 -0.17 -0.21 0.00 0.00 0.00 0.00 54.97 54.54 2jts s GLU 70 Cb -0.05 0.15 0.01 0.00 2.00 0.00 0.00 34.13 36.24 2jts s GLU 70 CO -0.00 -0.07 0.66 1.21 -0.56 0.00 0.00 175.26 176.49 2jts s ASN 71 N -0.80 6.44 0.37 -1.70 2.47 -1.26 -2.10 114.94 118.36 2jts s ASN 71 Ca -0.09 0.14 0.13 0.00 0.42 0.00 0.00 52.86 53.46 2jts s ASN 71 Cb -0.05 -2.34 0.73 0.00 -1.45 0.00 0.00 41.25 38.15 2jts s ASN 71 CO 0.01 -0.63 1.83 0.00 -3.72 0.00 0.00 177.10 174.59 2jts h ALA 72 N 8.50 1.38 0.00 1.71 0.00 -1.38 -3.49 119.26 125.98 2jts h ALA 72 Ca -0.26 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jts h ALA 72 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jts h ALA 72 CO 0.85 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.97 2jts n GLY 73 N -0.47 0.13 3.67 0.00 0.00 -1.26 -4.75 105.19 102.52 2jts n GLY 73 Ca -0.02 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 1.65 0.52 -0.02 0.00 -1.26 -3.25 107.32 104.96 2jts s GLY 74 Ca 0.00 0.30 0.21 0.00 0.00 0.00 0.00 44.72 45.23 2jts s GLY 74 CO 0.00 0.76 2.06 -2.00 0.00 0.00 0.00 173.10 173.92 2jts h LEU 75 N -1.78 0.02 -1.26 0.66 6.46 -1.43 -0.42 115.31 117.56 2jts h LEU 75 Ca -0.47 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.22 2jts h LEU 75 Cb 1.27 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 2jts h LEU 75 CO 0.47 0.01 -0.34 0.50 -0.62 0.00 0.00 178.44 178.47 2jts h LYS 76 N 0.03 0.00 -0.13 1.25 3.64 -1.89 -3.34 116.57 116.12 2jts h LYS 76 Ca 0.14 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 2jts h LYS 76 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2jts h LYS 76 CO -0.01 0.34 -0.33 0.22 -2.27 0.00 0.00 179.45 177.40 2jts h ASP 77 N 0.00 0.52 -2.06 4.20 1.82 -1.41 -3.45 116.42 116.04 2jts h ASP 77 Ca -0.00 -0.58 -0.60 0.00 -0.39 0.00 0.00 57.03 55.45 2jts h ASP 77 Cb 0.69 -0.15 0.02 0.00 0.68 0.00 0.00 39.33 40.57 2jts h ASP 77 CO 0.04 1.01 1.14 -0.38 -1.61 0.00 0.00 179.24 179.44 2jts n ILE 78 N -4.37 0.60 -1.17 2.25 -0.00 -1.26 -4.84 119.36 110.58 2jts n ILE 78 Ca -0.07 -0.12 -0.21 0.00 -0.00 0.00 0.00 62.75 62.35 2jts n ILE 78 Cb 0.50 -1.96 -0.12 0.00 -0.00 0.00 0.00 39.64 38.06 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 6.99 6.69 -2.54 -1.39 0.00 -1.26 -4.84 120.51 124.16 2jts n ALA 79 Ca 0.23 -2.45 -0.11 0.00 0.00 0.00 0.00 53.44 51.11 2jts n ALA 79 Cb 0.31 -2.57 -0.11 0.00 0.00 0.00 0.00 19.45 17.09 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 0.90 0.63 0.80 0.00 -1.94 -1.26 -5.15 119.30 113.27 2jts s MET 80 Ca 0.66 -1.01 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 2jts s MET 80 Cb 0.29 -0.17 -0.00 0.00 2.01 0.00 0.00 34.83 36.95 2jts s MET 80 CO -0.04 -0.00 0.60 -2.30 -0.01 0.00 0.00 175.02 173.27 2jts n PRO 81 N 0.78 0.14 -3.98 2.03 -0.02 -1.26 -4.86 135.00 127.83 2jts n PRO 81 Ca -0.18 0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 2jts n PRO 81 Cb 0.58 -1.93 -0.12 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 -3.20 0.27 0.03 -0.52 1.02 -1.26 -0.91 119.74 115.16 2jts s LYS 82 Ca 0.64 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 56.20 2jts s LYS 82 Cb -0.30 -0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.95 2jts s LYS 82 CO 0.59 -0.00 0.01 0.14 -0.92 0.00 0.00 175.35 175.17 2jts s VAL 83 N -0.89 0.13 0.84 3.17 -7.23 -0.28 -4.86 120.40 111.26 2jts s VAL 83 Ca -0.09 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 2jts s VAL 83 Cb -0.06 -0.57 0.10 0.00 0.56 0.00 0.00 36.38 36.40 2jts s VAL 83 CO -0.00 -0.58 1.10 -0.54 -0.31 0.00 0.00 175.10 174.76 2jts s LYS 84 N -2.01 1.72 0.00 4.82 1.02 -1.26 -0.94 119.74 123.09 2jts s LYS 84 Ca -0.11 1.11 0.00 0.00 0.02 0.00 0.00 55.97 56.99 2jts s LYS 84 Cb -0.06 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2jts s LYS 84 CO -0.03 -2.00 0.22 0.41 -0.92 0.00 0.00 175.35 173.04