#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 0.33 0.04 0.00 2.02 -1.26 -3.22 118.70 116.61 2jts s GLU 2 Ca 0.00 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 2jts s GLU 2 Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 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 -1.33 0.29 0.03 1.61 3.76 -0.61 -4.98 115.29 114.05 2jts s HIS 3 Ca -0.15 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.12 2jts s HIS 3 Cb -0.09 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 2jts s HIS 3 CO -0.00 -0.33 -0.06 -1.58 -0.85 0.00 0.00 174.74 171.92 2jts s TRP 4 N -2.72 0.49 -0.07 1.40 0.51 -1.26 -0.95 118.94 116.35 2jts s TRP 4 Ca -0.04 -0.46 -0.05 0.00 -2.12 0.00 0.00 56.10 53.44 2jts s TRP 4 Cb -0.01 -0.31 0.03 0.00 -0.81 0.00 0.00 33.47 32.37 2jts s TRP 4 CO -0.05 -0.11 0.16 0.42 -0.51 0.00 0.00 176.95 176.86 2jts s ILE 5 N -1.25 -0.02 -0.33 2.03 1.09 -1.23 -3.56 121.20 117.94 2jts s ILE 5 Ca -0.11 0.07 -0.20 0.00 -1.10 0.00 0.00 60.65 59.31 2jts s ILE 5 Cb -0.09 -0.25 -0.00 0.00 -1.06 0.00 0.00 42.46 41.06 2jts s ILE 5 CO -0.00 0.03 0.63 -0.62 -0.10 0.00 0.00 174.94 174.87 2jts s ASP 6 N 0.53 6.46 -0.04 3.58 2.15 0.08 -1.11 116.67 128.32 2jts s ASP 6 Ca -0.04 0.31 0.19 0.00 0.43 0.00 0.00 52.55 53.44 2jts s ASP 6 Cb -0.05 -2.33 0.60 0.00 -0.30 0.00 0.00 42.92 40.84 2jts s ASP 6 CO -0.03 -0.52 1.51 1.33 -0.17 0.00 0.00 175.17 177.29 2jts n VAL 7 N 5.47 1.31 -2.08 1.11 0.24 -0.51 -0.73 118.33 123.13 2jts n VAL 7 Ca -0.01 -1.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.06 2jts n VAL 7 Cb 0.49 0.35 0.07 0.00 -1.47 0.00 0.00 33.84 33.29 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 1.18 -0.06 -1.41 7.34 0.63 -1.26 -0.49 116.66 122.59 2jts n ARG 8 Ca 0.22 -1.23 -0.36 0.00 -0.92 0.00 0.00 57.85 55.57 2jts n ARG 8 Cb 0.68 -0.45 0.09 0.00 0.45 0.00 0.00 32.46 33.23 2jts n ARG 8 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2jts n VAL 9 N -2.39 3.30 0.29 5.15 0.24 -1.26 -4.16 118.33 119.49 2jts n VAL 9 Ca 0.08 -0.37 0.16 0.00 -2.04 0.00 0.00 64.34 62.17 2jts n VAL 9 Cb 0.29 -1.25 0.75 0.00 -1.47 0.00 0.00 33.84 32.16 2jts n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jts h PRO 10 N -0.17 0.00 -0.95 7.34 0.13 -1.96 -2.88 132.00 133.51 2jts h PRO 10 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2jts h PRO 10 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 2jts h PRO 10 CO 0.49 0.00 0.62 0.93 -0.23 0.00 0.00 178.00 179.80 2jts h GLU 11 N 0.00 1.04 -0.19 0.86 5.08 -2.02 -1.83 114.58 117.52 2jts h GLU 11 Ca 0.00 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2jts h GLU 11 Cb 0.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jts h GLU 11 CO 0.00 0.69 -0.45 -0.56 -1.00 0.00 0.00 179.01 177.69 2jts h GLN 12 N 1.07 0.48 0.00 2.33 -0.00 -1.88 -2.68 115.11 114.43 2jts h GLN 12 Ca 0.42 -0.25 -0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2jts h GLN 12 Cb 0.23 0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.72 2jts h GLN 12 CO -0.17 0.83 -0.01 -0.92 -0.00 0.00 0.00 178.83 178.56 2jts h TYR 13 N 0.39 0.00 -0.12 0.06 3.20 -1.48 -2.95 116.97 116.07 2jts h TYR 13 Ca 0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2jts h TYR 13 Cb 0.94 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2jts h TYR 13 CO 0.03 0.01 -0.21 1.96 -1.64 0.00 0.00 178.16 178.31 2jts h GLN 14 N 0.00 0.35 0.19 1.82 1.08 -1.23 -3.14 115.11 114.18 2jts h GLN 14 Ca -0.00 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2jts h GLN 14 Cb 0.02 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2jts h GLN 14 CO 0.00 0.81 -0.09 -0.56 -0.95 0.00 0.00 178.83 178.04 2jts h GLN 15 N -0.07 -0.24 -1.97 1.46 3.07 -1.61 -0.76 115.11 114.98 2jts h GLN 15 Ca 0.01 0.02 0.12 0.00 0.09 0.00 0.00 58.65 58.89 2jts h GLN 15 Cb 0.79 0.06 -0.18 0.00 0.08 0.00 0.00 27.48 28.23 2jts h GLN 15 CO 0.05 -0.05 0.56 -1.83 0.09 0.00 0.00 178.83 177.65 2jts s GLU 16 N -5.56 0.68 0.03 0.06 1.03 -1.21 -4.42 118.70 109.31 2jts s GLU 16 Ca -0.15 -0.16 -0.07 0.00 0.03 0.00 0.00 54.97 54.63 2jts s GLU 16 Cb 0.04 0.32 -0.00 0.00 -0.80 0.00 0.00 34.13 33.68 2jts s GLU 16 CO 0.63 -0.28 0.13 -3.38 -1.33 0.00 0.00 175.26 171.04 2jts s HIS 17 N -2.48 0.12 -0.04 4.83 -3.43 -0.26 -4.34 115.29 109.69 2jts s HIS 17 Ca 0.04 -0.34 -0.35 0.00 -0.80 0.00 0.00 55.06 53.61 2jts s HIS 17 Cb -0.01 -0.09 -0.13 0.00 -1.43 0.00 0.00 32.58 30.92 2jts s HIS 17 CO -0.06 -0.36 1.75 0.28 -2.00 0.00 0.00 174.74 174.35 2jts n VAL 18 N 0.95 0.36 0.09 -5.38 0.31 -1.26 -1.72 118.33 111.68 2jts n VAL 18 Ca -0.20 -0.06 0.09 0.00 -0.01 0.00 0.00 64.34 64.16 2jts n VAL 18 Cb 0.58 -1.63 0.56 0.00 -0.91 0.00 0.00 33.84 32.45 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 7.78 0.22 -0.16 5.55 -0.00 -1.45 -1.07 115.11 125.98 2jts h GLN 19 Ca -0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2jts h GLN 19 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.71 2jts h GLN 19 CO 0.92 0.14 0.00 0.41 0.00 0.00 0.00 178.83 180.31 2jts n GLY 20 N -1.53 -0.00 3.65 2.39 0.00 -1.26 -4.92 105.19 103.52 2jts n GLY 20 Ca 0.03 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.79 3.27 -0.01 4.61 0.00 -0.41 -4.10 121.76 123.33 2jts s ALA 21 Ca 0.26 -1.92 0.02 0.00 0.00 0.00 0.00 51.96 50.32 2jts s ALA 21 Cb 0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2jts s ALA 21 CO 0.20 0.07 -0.05 0.96 0.00 0.00 0.00 175.76 176.94 2jts s ILE 22 N -2.49 0.44 -0.36 0.00 -4.36 -1.23 -4.88 121.20 108.31 2jts s ILE 22 Ca 0.35 -0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 60.23 2jts s ILE 22 Cb -0.01 -0.38 0.02 0.00 1.25 0.00 0.00 42.46 43.34 2jts s ILE 22 CO 0.20 0.13 1.16 0.21 0.24 0.00 0.00 174.94 176.88 2jts s ASN 23 N -0.03 6.77 -0.36 4.36 3.84 -1.26 -0.74 114.94 127.52 2jts s ASN 23 Ca 0.01 0.93 0.01 0.00 0.21 0.00 0.00 52.86 54.02 2jts s ASN 23 Cb -0.03 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.27 2jts s ASN 23 CO -0.00 -1.04 0.25 -0.63 -2.79 0.00 0.00 177.10 172.89 2jts s ILE 24 N 4.10 0.05 0.80 -5.21 1.01 0.09 -4.96 121.20 117.08 2jts s ILE 24 Ca 0.49 -1.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.37 2jts s ILE 24 Cb -0.12 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.35 2jts s ILE 24 CO 0.22 -0.92 0.82 -2.65 0.00 0.00 0.00 174.94 172.41 2jts n PRO 25 N 3.99 0.17 -0.31 2.79 -0.02 -1.26 -4.11 135.00 136.25 2jts n PRO 25 Ca 0.13 0.12 0.22 0.00 -2.02 0.00 0.00 63.50 61.95 2jts n PRO 25 Cb 0.39 -2.12 0.50 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 -0.78 0.45 -1.90 2.45 5.85 -1.06 0.20 115.31 120.52 2jts h LEU 26 Ca -0.46 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2jts h LEU 26 Cb 1.32 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2jts h LEU 26 CO 0.43 0.11 0.00 0.11 -0.34 0.00 0.00 178.44 178.75 2jts h LYS 27 N 0.41 0.00 0.00 1.25 1.57 -1.90 -3.27 116.57 114.64 2jts h LYS 27 Ca 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2jts h LYS 27 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2jts h LYS 27 CO -0.27 0.00 -0.42 0.39 -0.57 0.00 0.00 179.45 178.58 2jts n GLU 28 N -2.69 2.95 -0.26 3.15 1.02 -0.04 -4.78 120.64 120.00 2jts n GLU 28 Ca -0.01 0.00 0.28 0.00 -0.02 0.00 0.00 57.16 57.40 2jts n GLU 28 Cb 0.12 -0.65 0.65 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 0.00 0.53 -0.28 2.62 3.04 -1.32 0.15 116.25 120.98 2jts h VAL 29 Ca 0.00 -0.05 0.08 0.00 -1.01 0.00 0.00 66.70 65.72 2jts h VAL 29 Cb 0.00 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 2jts h VAL 29 CO 0.00 0.03 0.30 0.50 -1.01 0.00 0.00 177.57 177.38 2jts h LYS 30 N 0.14 0.00 0.00 4.17 3.64 -1.86 -1.28 116.57 121.38 2jts h LYS 30 Ca 0.50 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.82 2jts h LYS 30 Cb 1.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 2jts h LYS 30 CO -0.09 0.00 -1.24 0.39 -2.27 0.00 0.00 179.45 176.24 2jts n GLU 31 N -3.83 0.10 0.00 1.90 1.02 -0.38 -4.74 120.64 114.72 2jts n GLU 31 Ca 0.04 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 2jts n GLU 31 Cb 0.44 -0.95 0.31 0.00 -0.02 0.00 0.00 31.44 31.22 2jts n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jts n ARG 32 N -2.80 0.04 -0.27 3.49 1.74 -0.10 -2.07 116.66 116.70 2jts n ARG 32 Ca -0.08 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.37 2jts n ARG 32 Cb 0.57 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.91 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 0.80 -0.70 0.55 6.09 -1.46 -0.64 117.51 122.15 2jts h ILE 33 Ca 0.00 -0.22 -0.06 0.00 -1.37 0.00 0.00 64.86 63.21 2jts h ILE 33 Cb 0.22 0.10 -0.03 0.00 0.47 0.00 0.00 36.82 37.58 2jts h ILE 33 CO 0.00 0.12 0.20 0.00 -3.07 0.00 0.00 178.15 175.40 2jts h ALA 34 N 1.61 0.91 -0.10 0.18 0.00 -1.58 0.95 119.26 121.22 2jts h ALA 34 Ca 0.46 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2jts h ALA 34 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jts h ALA 34 CO -0.21 0.61 -0.59 1.79 0.00 0.00 0.00 179.25 180.85 2jts h THR 35 N 1.03 1.36 -0.21 0.00 1.35 -1.62 -3.24 112.91 111.59 2jts h THR 35 Ca 0.22 -1.92 -0.05 0.00 -0.55 0.00 0.00 66.41 64.11 2jts h THR 35 Cb 0.33 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 2jts h THR 35 CO -0.00 0.58 -0.07 0.00 -0.25 0.00 0.00 175.52 175.77 2jts h ALA 36 N 1.12 0.29 -2.72 6.62 0.00 -0.59 -3.44 119.26 120.55 2jts h ALA 36 Ca -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.34 2jts h ALA 36 Cb 1.11 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 2jts h ALA 36 CO 0.10 0.10 -0.62 0.08 0.00 0.00 0.00 179.25 178.91 2jts s VAL 37 N -4.68 -0.32 0.61 0.00 1.01 0.28 -5.01 120.40 112.29 2jts s VAL 37 Ca -0.14 0.05 0.31 0.00 0.00 0.00 0.00 61.98 62.20 2jts s VAL 37 Cb 0.07 -0.55 0.36 0.00 0.00 0.00 0.00 36.38 36.25 2jts s VAL 37 CO 0.75 -0.08 2.07 -0.65 0.00 0.00 0.00 175.10 177.19 2jts h PRO 38 N 8.32 0.00 -2.83 2.72 0.11 -1.80 -3.37 132.00 135.15 2jts h PRO 38 Ca -0.16 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.71 2jts h PRO 38 Cb 1.14 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.91 2jts h PRO 38 CO 0.23 0.00 -0.56 0.34 -0.21 0.00 0.00 178.00 177.80 2jts s ASP 39 N -5.35 0.54 0.14 -2.05 -1.08 -1.26 -4.99 116.67 102.63 2jts s ASP 39 Ca -0.04 0.44 0.10 0.00 -0.52 0.00 0.00 52.55 52.53 2jts s ASP 39 Cb 0.14 0.60 0.53 0.00 -1.46 0.00 0.00 42.92 42.73 2jts s ASP 39 CO 0.48 -0.25 1.30 2.29 0.52 0.00 0.00 175.17 179.50 2jts n LYS 40 N 5.34 0.06 0.25 4.34 2.85 -1.26 -1.42 118.16 128.33 2jts n LYS 40 Ca -0.06 0.56 0.14 0.00 -1.05 0.00 0.00 58.31 57.91 2jts n LYS 40 Cb 0.50 -1.71 0.44 0.00 -0.65 0.00 0.00 35.03 33.61 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 -4.20 -5.58 -0.73 -1.95 -3.34 115.58 99.78 2jts h ASN 41 Ca 0.00 0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.66 2jts h ASN 41 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 38.32 38.70 2jts h ASN 41 CO 0.00 0.04 0.37 -0.62 -0.37 0.00 0.00 177.43 176.85 2jts s ASP 42 N -5.97 4.88 0.14 1.15 2.15 -0.50 -4.59 116.67 113.94 2jts s ASP 42 Ca 0.03 2.05 -0.31 0.00 0.43 0.00 0.00 52.55 54.76 2jts s ASP 42 Cb 0.07 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 40.05 2jts s ASP 42 CO 0.61 -1.78 1.40 -0.89 -0.17 0.00 0.00 175.17 174.33 2jts s THR 43 N -2.32 3.17 -0.06 1.71 2.01 -1.20 -4.63 115.64 114.32 2jts s THR 43 Ca 0.68 0.87 0.02 0.00 0.31 0.00 0.00 61.69 63.57 2jts s THR 43 Cb -0.22 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.75 2jts s THR 43 CO 0.43 0.08 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.64 2jts s VAL 44 N 0.85 1.09 -0.57 3.82 1.01 -0.23 -1.58 120.40 124.79 2jts s VAL 44 Ca 0.63 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2jts s VAL 44 Cb -0.38 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.15 2jts s VAL 44 CO 0.33 0.35 0.37 -0.54 0.00 0.00 0.00 175.10 175.60 2jts s LYS 45 N 0.69 1.90 0.51 2.72 1.02 -0.13 -0.84 119.74 125.60 2jts s LYS 45 Ca -0.14 -2.74 -0.22 0.00 0.02 0.00 0.00 55.97 52.89 2jts s LYS 45 Cb -0.16 -2.89 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2jts s LYS 45 CO 0.03 -1.24 1.20 0.14 -0.92 0.00 0.00 175.35 174.57 2jts s VAL 46 N -0.61 2.86 0.17 3.17 -7.23 -0.66 -3.53 120.40 114.57 2jts s VAL 46 Ca 0.23 0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 60.98 2jts s VAL 46 Cb -0.12 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.49 2jts s VAL 46 CO -0.10 -0.04 0.15 -0.72 -0.31 0.00 0.00 175.10 174.08 2jts s TYR 47 N -1.54 0.86 0.34 2.82 1.13 -0.27 -0.77 117.35 119.92 2jts s TYR 47 Ca 0.68 -1.17 -0.03 0.00 -1.41 0.00 0.00 57.07 55.14 2jts s TYR 47 Cb -0.30 -0.39 0.01 0.00 -1.10 0.00 0.00 41.96 40.17 2jts s TYR 47 CO 0.36 -0.63 0.49 0.00 -2.51 0.00 0.00 175.55 173.26 2jts h ASN 49 N 2.10 0.58 0.00 0.00 -0.73 -1.93 -2.24 115.58 113.37 2jts h ASN 49 Ca -0.28 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.90 2jts h ASN 49 Cb 1.24 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2jts h ASN 49 CO 0.39 0.34 0.00 0.00 -0.37 0.00 0.00 177.43 177.79 2jts n ALA 50 N -2.47 1.65 0.00 1.57 0.00 -1.26 -1.77 120.51 118.23 2jts n ALA 50 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2jts n ALA 50 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.17 2.82 0.07 0.00 0.00 -1.22 -4.41 105.19 102.29 2jts n GLY 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.60 0.10 -0.05 1.61 9.65 -1.91 -1.40 114.38 122.98 2jts h ARG 52 Ca 0.00 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 2jts h ARG 52 Cb 0.00 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2jts h ARG 52 CO 0.00 0.28 -0.56 1.96 2.80 0.00 0.00 179.97 184.45 2jts h GLN 53 N -0.10 0.15 -0.06 0.20 1.08 -1.95 0.34 115.11 114.77 2jts h GLN 53 Ca 0.02 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.03 2jts h GLN 53 Cb 0.22 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2jts h GLN 53 CO -0.00 0.67 -0.42 0.66 -0.95 0.00 0.00 178.83 178.79 2jts h SER 54 N 0.12 0.13 -0.17 1.46 4.64 -1.80 0.51 113.55 118.43 2jts h SER 54 Ca -0.00 -0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2jts h SER 54 Cb 1.02 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 2jts h SER 54 CO 0.08 0.54 -0.05 1.23 -0.87 0.00 0.00 176.83 177.76 2jts h GLY 55 N 1.26 0.11 1.00 -0.77 0.00 -0.03 0.48 103.07 105.12 2jts h GLY 55 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2jts h GLY 55 CO 0.06 -0.07 0.28 1.46 0.00 0.00 0.00 176.54 178.27 2jts h GLN 56 N -0.02 0.91 -0.73 4.80 4.20 -0.57 -0.45 115.11 123.25 2jts h GLN 56 Ca 0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2jts h GLN 56 Cb 0.14 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2jts h GLN 56 CO -0.18 0.75 0.43 0.00 -0.67 0.00 0.00 178.83 179.16 2jts h ALA 57 N 1.12 1.38 -0.55 3.87 0.00 -0.67 -0.25 119.26 124.17 2jts h ALA 57 Ca 0.21 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2jts h ALA 57 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jts h ALA 57 CO -0.02 0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 179.45 2jts h LYS 58 N 1.01 1.01 -0.51 0.00 3.11 -0.15 -0.39 116.57 120.64 2jts h LYS 58 Ca 0.26 -0.35 -0.01 0.00 -2.81 0.00 0.00 60.65 57.74 2jts h LYS 58 Cb -0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.11 2jts h LYS 58 CO -0.05 1.03 0.28 0.93 -2.81 0.00 0.00 179.45 178.84 2jts h GLU 59 N 0.90 0.71 0.16 1.90 5.08 -0.27 0.13 114.58 123.18 2jts h GLU 59 Ca 0.15 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2jts h GLU 59 Cb 0.63 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2jts h GLU 59 CO 0.04 0.54 -0.17 0.82 -1.00 0.00 0.00 179.01 179.25 2jts h ILE 60 N 0.68 0.62 0.00 3.13 2.04 -0.80 -2.06 117.51 121.12 2jts h ILE 60 Ca 0.18 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.97 2jts h ILE 60 Cb 0.04 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2jts h ILE 60 CO -0.03 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.72 2jts h LEU 61 N -0.37 0.00 -0.50 1.44 3.38 -0.85 -1.64 115.31 116.77 2jts h LEU 61 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jts h LEU 61 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jts h LEU 61 CO -0.05 0.33 0.13 0.28 0.09 0.00 0.00 178.44 179.22 2jts h SER 62 N 0.00 0.75 -0.09 -0.43 0.02 -0.49 -2.38 113.55 110.93 2jts h SER 62 Ca -0.00 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 2jts h SER 62 Cb 0.70 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2jts h SER 62 CO 0.04 0.78 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.38 2jts h GLU 63 N 0.69 0.34 0.00 3.45 4.57 -0.61 -0.69 114.58 122.33 2jts h GLU 63 Ca 0.16 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2jts h GLU 63 Cb 0.32 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2jts h GLU 63 CO -0.00 0.41 0.00 -1.33 -1.18 0.00 0.00 179.01 176.91 2jts n MET 64 N -4.30 0.71 -1.98 1.92 2.81 -0.71 -4.88 117.12 110.70 2jts n MET 64 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jts n MET 64 Cb 0.24 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 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 0.34 0.59 3.38 3.03 0.00 -0.26 -5.05 105.19 107.21 2jts n GLY 65 Ca 0.10 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.32 -1.24 0.00 1.61 4.11 -0.93 -5.01 117.16 114.38 2jts n TYR 66 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 2jts n TYR 66 Cb 0.46 -1.68 0.00 0.00 -0.00 0.00 0.00 39.34 38.13 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 -4.31 0.00 -2.53 -3.48 -2.24 -1.26 -4.95 114.28 95.50 2jts n THR 67 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 2jts n THR 67 Cb 0.58 -0.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.09 0.40 -3.45 4.78 8.25 -1.25 -5.06 115.22 117.79 2jts n HIS 68 Ca 0.00 -1.04 -0.38 0.00 -0.26 0.00 0.00 57.72 56.04 2jts n HIS 68 Cb 0.04 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.31 4.98 -0.02 1.59 1.01 -1.26 -1.07 120.40 124.32 2jts s VAL 69 Ca 0.33 0.91 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2jts s VAL 69 Cb 0.37 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2jts s VAL 69 CO -0.12 0.56 0.18 -0.70 0.00 0.00 0.00 175.10 175.02 2jts s GLU 70 N -0.99 0.44 -0.36 2.72 2.12 -0.02 -4.95 118.70 117.66 2jts s GLU 70 Ca 0.25 -0.17 -0.23 0.00 0.36 0.00 0.00 54.97 55.18 2jts s GLU 70 Cb -0.17 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.42 2jts s GLU 70 CO 0.14 -0.10 0.76 1.21 -0.54 0.00 0.00 175.26 176.74 2jts s ASN 71 N -0.94 6.54 0.05 -1.70 2.47 -1.26 -1.65 114.94 118.45 2jts s ASN 71 Ca -0.10 0.34 -0.25 0.00 0.42 0.00 0.00 52.86 53.27 2jts s ASN 71 Cb -0.05 -2.39 -0.17 0.00 -1.45 0.00 0.00 41.25 37.19 2jts s ASN 71 CO 0.02 -0.71 1.52 0.00 -3.72 0.00 0.00 177.10 174.21 2jts h ALA 72 N 8.46 -0.16 0.00 1.71 0.00 -1.24 -3.48 119.26 124.54 2jts h ALA 72 Ca -0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jts h ALA 72 Cb 1.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jts h ALA 72 CO 0.90 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2jts n GLY 73 N -0.67 0.57 3.64 0.00 0.00 -1.26 -4.88 105.19 102.60 2jts n GLY 73 Ca -0.08 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 1.56 0.50 -0.02 0.00 -1.26 -3.39 107.32 104.71 2jts s GLY 74 Ca 0.00 -0.42 0.22 0.00 0.00 0.00 0.00 44.72 44.51 2jts s GLY 74 CO 0.00 0.24 2.00 -2.00 0.00 0.00 0.00 173.10 173.34 2jts h LEU 75 N -2.08 0.10 -1.55 0.66 5.85 -0.70 0.06 115.31 117.65 2jts h LEU 75 Ca -0.55 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 2jts h LEU 75 Cb 1.33 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2jts h LEU 75 CO 0.55 0.06 -0.18 0.11 -0.34 0.00 0.00 178.44 178.63 2jts h LYS 76 N 0.11 0.00 -0.02 1.25 1.57 -1.90 -3.32 116.57 114.26 2jts h LYS 76 Ca 0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2jts h LYS 76 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2jts h LYS 76 CO -0.03 0.18 -0.12 0.22 -0.57 0.00 0.00 179.45 179.13 2jts h ASP 77 N 0.00 0.15 -2.26 0.86 3.58 -1.31 -3.45 116.42 113.99 2jts h ASP 77 Ca -0.00 -0.67 -0.56 0.00 0.42 0.00 0.00 57.03 56.22 2jts h ASP 77 Cb 0.53 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.54 2jts h ASP 77 CO 0.02 0.80 1.33 -0.63 -2.88 0.00 0.00 179.24 177.88 2jts s ILE 78 N -3.54 3.10 -1.05 2.25 1.09 -1.25 -4.85 121.20 116.95 2jts s ILE 78 Ca -0.16 0.11 -0.08 0.00 -1.10 0.00 0.00 60.65 59.42 2jts s ILE 78 Cb 0.01 -3.10 -0.12 0.00 -1.06 0.00 0.00 42.46 38.20 2jts s ILE 78 CO 0.72 -0.04 3.11 0.00 -0.10 0.00 0.00 174.94 178.63 2jts n ALA 79 N 9.35 7.10 -2.49 9.38 0.00 -1.26 -4.85 120.51 137.74 2jts n ALA 79 Ca 0.24 -3.04 -0.12 0.00 0.00 0.00 0.00 53.44 50.52 2jts n ALA 79 Cb 0.43 -2.95 -0.11 0.00 0.00 0.00 0.00 19.45 16.83 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 1.34 0.70 0.66 0.00 -1.94 -1.26 -5.15 119.30 113.66 2jts s MET 80 Ca 0.67 -1.07 -0.17 0.00 -1.71 0.00 0.00 55.69 53.41 2jts s MET 80 Cb 0.23 -0.27 -0.05 0.00 2.01 0.00 0.00 34.83 36.75 2jts s MET 80 CO -0.05 0.02 0.64 -2.30 -0.01 0.00 0.00 175.02 173.32 2jts n PRO 81 N 0.65 0.47 -4.13 2.03 -0.02 -1.26 -4.85 135.00 127.89 2jts n PRO 81 Ca -0.17 0.20 -0.15 0.00 -2.02 0.00 0.00 63.50 61.36 2jts n PRO 81 Cb 0.58 -1.89 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 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 -2.64 0.46 0.04 -0.52 1.02 -1.26 -1.11 119.74 115.73 2jts s LYS 82 Ca 0.69 -0.38 -0.02 0.00 0.02 0.00 0.00 55.97 56.28 2jts s LYS 82 Cb -0.38 -0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 36.52 2jts s LYS 82 CO 0.54 0.09 0.01 0.14 -0.92 0.00 0.00 175.35 175.21 2jts s VAL 83 N -0.54 0.16 0.80 3.17 -7.23 -0.70 -4.90 120.40 111.16 2jts s VAL 83 Ca -0.02 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2jts s VAL 83 Cb -0.05 -0.96 0.07 0.00 0.56 0.00 0.00 36.38 36.01 2jts s VAL 83 CO 0.00 -0.73 1.11 -0.54 -0.31 0.00 0.00 175.10 174.62 2jts s LYS 84 N -2.80 2.02 0.00 4.82 1.02 -1.26 -1.10 119.74 122.44 2jts s LYS 84 Ca -0.03 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2jts s LYS 84 Cb -0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2jts s LYS 84 CO -0.06 -1.84 0.24 0.41 -0.92 0.00 0.00 175.35 173.19