#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 0.81 0.11 0.00 2.02 -1.26 -1.56 118.70 118.82 2jts s GLU 2 Ca 0.00 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 53.82 2jts s GLU 2 Cb 0.00 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.75 2jts s GLU 2 CO 0.00 0.06 0.05 -1.01 0.02 0.00 0.00 175.26 174.38 2jts s HIS 3 N -2.55 0.74 -0.03 1.61 3.76 -0.64 -4.90 115.29 113.27 2jts s HIS 3 Ca 0.05 -1.15 0.04 0.00 -0.15 0.00 0.00 55.06 53.84 2jts s HIS 3 Cb -0.02 -0.43 -0.00 0.00 1.11 0.00 0.00 32.58 33.24 2jts s HIS 3 CO -0.01 -0.50 -0.14 -1.58 -0.85 0.00 0.00 174.74 171.66 2jts s TRP 4 N -4.01 1.42 -0.07 1.40 0.52 -1.26 -0.71 118.94 116.24 2jts s TRP 4 Ca 0.19 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2jts s TRP 4 Cb 0.07 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.45 2jts s TRP 4 CO -0.01 -0.12 -0.08 0.42 0.02 0.00 0.00 176.95 177.17 2jts s ILE 5 N 0.03 0.88 -0.25 2.03 -1.09 -0.25 -1.41 121.20 121.14 2jts s ILE 5 Ca -0.02 -0.30 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 2jts s ILE 5 Cb -0.10 -0.86 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2jts s ILE 5 CO 0.01 0.31 0.41 -0.62 -1.23 0.00 0.00 174.94 173.83 2jts s ASP 6 N 0.98 6.34 -0.08 3.58 2.15 -0.00 -1.41 116.67 128.23 2jts s ASP 6 Ca -0.09 0.41 0.14 0.00 0.43 0.00 0.00 52.55 53.44 2jts s ASP 6 Cb -0.15 -2.23 0.47 0.00 -0.30 0.00 0.00 42.92 40.71 2jts s ASP 6 CO 0.00 -0.18 1.39 1.33 -0.17 0.00 0.00 175.17 177.54 2jts n VAL 7 N 4.92 1.56 -2.70 1.11 0.24 -0.75 -0.38 118.33 122.33 2jts n VAL 7 Ca -0.07 -1.31 -0.23 0.00 -2.04 0.00 0.00 64.34 60.69 2jts n VAL 7 Cb 0.51 0.20 0.11 0.00 -1.47 0.00 0.00 33.84 33.18 2jts n VAL 7 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2jts s ARG 8 N -1.72 1.69 0.54 7.34 0.52 -1.26 -0.63 118.95 125.41 2jts s ARG 8 Ca 0.35 -1.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.04 2jts s ARG 8 Cb 0.23 -2.39 -0.08 0.00 0.52 0.00 0.00 34.95 33.23 2jts s ARG 8 CO 0.16 -1.42 0.80 1.33 0.02 0.00 0.00 175.30 176.18 2jts n VAL 9 N -2.76 2.79 -0.01 3.52 0.24 -1.26 -4.10 118.33 116.74 2jts n VAL 9 Ca 0.17 -0.50 0.23 0.00 -2.04 0.00 0.00 64.34 62.20 2jts n VAL 9 Cb 0.61 -0.95 0.72 0.00 -1.47 0.00 0.00 33.84 32.75 2jts n VAL 9 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2jts h PRO 10 N 0.67 0.00 -0.99 7.34 0.11 -1.97 -2.34 132.00 134.82 2jts h PRO 10 Ca -0.46 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 2jts h PRO 10 Cb 1.37 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.39 2jts h PRO 10 CO 0.51 0.00 0.62 1.49 -0.21 0.00 0.00 178.00 180.41 2jts h GLU 11 N 0.00 0.87 -0.32 1.05 4.57 -1.98 -0.06 114.58 118.71 2jts h GLU 11 Ca 0.29 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.28 2jts h GLU 11 Cb 1.39 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2jts h GLU 11 CO -0.00 0.58 -0.33 -0.56 -1.18 0.00 0.00 179.01 177.52 2jts h GLN 12 N 0.90 0.79 -0.98 1.92 -0.00 -1.78 -3.08 115.11 112.89 2jts h GLN 12 Ca 0.51 -0.42 0.05 0.00 -0.00 0.00 0.00 58.65 58.79 2jts h GLN 12 Cb 0.62 0.02 -0.06 0.00 -0.00 0.00 0.00 27.48 28.06 2jts h GLN 12 CO -0.28 1.05 0.64 -0.92 -0.00 0.00 0.00 178.83 179.31 2jts h TYR 13 N 0.56 1.18 0.00 0.06 3.20 -1.33 -0.55 116.97 120.09 2jts h TYR 13 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2jts h TYR 13 Cb 0.91 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2jts h TYR 13 CO 0.07 0.65 0.00 1.04 -1.64 0.00 0.00 178.16 178.28 2jts n GLN 14 N -4.46 0.03 0.00 1.82 1.13 -0.16 -3.23 117.38 112.50 2jts n GLN 14 Ca 0.14 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 2jts n GLN 14 Cb 0.14 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2jts n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jts n GLN 15 N -1.60 0.00 -3.44 -1.09 1.13 -0.24 -3.24 117.38 108.90 2jts n GLN 15 Ca 0.04 0.40 -0.13 0.00 -1.94 0.00 0.00 57.00 55.37 2jts n GLN 15 Cb 0.19 -0.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 2jts n GLN 15 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2jts s GLU 16 N -0.87 1.20 0.02 -1.09 -1.05 -1.09 -2.25 118.70 113.57 2jts s GLU 16 Ca 0.00 -0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 54.43 2jts s GLU 16 Cb 0.00 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.24 2jts s GLU 16 CO 0.00 -0.50 0.09 -3.38 0.95 0.00 0.00 175.26 172.42 2jts s HIS 17 N -3.26 0.17 0.16 4.83 -3.43 -0.53 -4.34 115.29 108.88 2jts s HIS 17 Ca -0.01 -0.41 -0.34 0.00 -0.80 0.00 0.00 55.06 53.51 2jts s HIS 17 Cb -0.01 -0.13 -0.15 0.00 -1.43 0.00 0.00 32.58 30.87 2jts s HIS 17 CO -0.09 -0.32 1.44 0.28 -2.00 0.00 0.00 174.74 174.05 2jts n VAL 18 N 1.08 0.30 -1.69 -5.38 0.31 -1.26 -1.16 118.33 110.53 2jts n VAL 18 Ca -0.21 -0.07 -0.51 0.00 -0.01 0.00 0.00 64.34 63.54 2jts n VAL 18 Cb 0.57 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.17 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 2.72 1.93 -0.95 5.55 0.00 -0.33 -1.44 117.38 124.87 2jts n GLN 19 Ca 0.16 0.71 0.00 0.00 -0.00 0.00 0.00 57.00 57.87 2jts n GLN 19 Cb 0.26 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 27.99 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 4.33 0.75 3.77 1.69 0.00 -1.26 -5.00 105.19 109.46 2jts n GLY 20 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.93 3.31 -0.12 4.61 0.00 -0.52 -4.70 121.76 121.40 2jts s ALA 21 Ca 0.00 1.41 -0.22 0.00 0.00 0.00 0.00 51.96 53.15 2jts s ALA 21 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2jts s ALA 21 CO 0.00 -1.04 0.66 0.42 0.00 0.00 0.00 175.76 175.80 2jts s ILE 22 N -1.20 5.04 -0.31 0.00 1.01 -0.50 -4.83 121.20 120.41 2jts s ILE 22 Ca 0.58 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 2jts s ILE 22 Cb -0.42 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.06 2jts s ILE 22 CO 0.55 0.20 1.23 0.21 0.00 0.00 0.00 174.94 177.13 2jts s ASN 23 N 0.93 6.75 -0.42 3.58 3.84 -1.26 -0.82 114.94 127.54 2jts s ASN 23 Ca 0.33 1.14 0.03 0.00 0.21 0.00 0.00 52.86 54.58 2jts s ASN 23 Cb -0.17 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.16 2jts s ASN 23 CO 0.14 -1.02 0.33 -0.63 -2.79 0.00 0.00 177.10 173.13 2jts s ILE 24 N 4.15 0.48 0.56 -5.21 1.01 0.49 -4.96 121.20 117.73 2jts s ILE 24 Ca 0.53 -2.62 -0.19 0.00 0.00 0.00 0.00 60.65 58.37 2jts s ILE 24 Cb -0.15 -1.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 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 2.96 0.79 -0.03 2.79 -0.02 -1.26 -4.15 135.00 136.08 2jts n PRO 25 Ca 0.27 0.30 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 2jts n PRO 25 Cb 0.45 -1.95 0.70 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.53 0.00 -2.95 2.45 6.46 -1.16 0.10 115.31 120.75 2jts h LEU 26 Ca -0.47 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2jts h LEU 26 Cb 1.38 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 2jts h LEU 26 CO 0.50 0.00 -0.00 0.11 -0.62 0.00 0.00 178.44 178.43 2jts h LYS 27 N 0.00 0.00 0.00 1.25 1.57 -1.89 -3.25 116.57 114.25 2jts h LYS 27 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2jts h LYS 27 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2jts h LYS 27 CO -0.00 0.00 -0.43 0.39 -0.57 0.00 0.00 179.45 178.84 2jts n GLU 28 N -3.13 2.92 -0.31 3.15 1.02 0.23 -4.84 120.64 119.68 2jts n GLU 28 Ca -0.03 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.32 2jts n GLU 28 Cb 0.07 -0.66 0.49 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.58 -0.08 2.62 3.04 -1.27 -0.64 116.25 120.50 2jts h VAL 29 Ca 0.00 -0.15 0.01 0.00 -1.01 0.00 0.00 66.70 65.55 2jts h VAL 29 Cb 0.00 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.38 2jts h VAL 29 CO 0.00 0.08 0.05 0.50 -1.01 0.00 0.00 177.57 177.19 2jts h LYS 30 N 0.44 0.06 0.00 4.17 3.64 -1.88 -2.28 116.57 120.72 2jts h LYS 30 Ca 0.57 -0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.58 2jts h LYS 30 Cb 1.37 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 2jts h LYS 30 CO -0.28 0.04 -2.24 -1.91 -2.27 0.00 0.00 179.45 172.79 2jts n GLU 31 N -4.52 0.48 0.28 1.90 2.13 -0.48 -4.60 120.64 115.83 2jts n GLU 31 Ca -0.01 0.19 0.19 0.00 0.66 0.00 0.00 57.16 58.18 2jts n GLU 31 Cb 0.12 -1.32 0.91 0.00 0.27 0.00 0.00 31.44 31.42 2jts n GLU 31 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jts h ARG 32 N -0.63 0.00 -0.97 5.31 3.08 -1.16 -2.04 114.38 117.98 2jts h ARG 32 Ca -0.55 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.66 2jts h ARG 32 Cb 1.55 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.50 2jts h ARG 32 CO -0.29 0.00 0.58 0.97 -1.07 0.00 0.00 179.97 180.17 2jts h ILE 33 N 0.00 0.78 -0.46 2.04 6.09 -1.65 -1.10 117.51 123.21 2jts h ILE 33 Ca 0.00 -0.28 -0.07 0.00 -1.37 0.00 0.00 64.86 63.14 2jts h ILE 33 Cb 0.18 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.35 2jts h ILE 33 CO 0.00 0.15 0.03 0.00 -3.07 0.00 0.00 178.15 175.26 2jts h ALA 34 N 1.59 0.62 -0.19 0.18 0.00 -1.58 0.70 119.26 120.58 2jts h ALA 34 Ca 0.53 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2jts h ALA 34 Cb 0.71 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jts h ALA 34 CO -0.34 0.39 -0.59 1.79 0.00 0.00 0.00 179.25 180.50 2jts h THR 35 N 0.65 1.32 -0.12 0.00 1.35 -1.67 -3.26 112.91 111.18 2jts h THR 35 Ca 0.14 -1.85 -0.13 0.00 -0.55 0.00 0.00 66.41 64.02 2jts h THR 35 Cb 0.45 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2jts h THR 35 CO 0.02 0.58 -0.43 0.00 -0.25 0.00 0.00 175.52 175.43 2jts h ALA 36 N 0.88 0.22 -2.64 6.62 0.00 -0.89 -3.42 119.26 120.03 2jts h ALA 36 Ca -0.00 -0.47 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 2jts h ALA 36 Cb 1.16 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.54 2jts h ALA 36 CO 0.11 0.35 -0.77 0.08 0.00 0.00 0.00 179.25 179.02 2jts s VAL 37 N -3.80 -0.09 -0.93 0.00 1.01 0.21 -5.03 120.40 111.77 2jts s VAL 37 Ca -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2jts s VAL 37 Cb 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2jts s VAL 37 CO 0.82 -0.73 0.94 -2.65 0.00 0.00 0.00 175.10 173.48 2jts n PRO 38 N 5.05 0.00 -3.74 2.72 -0.02 -1.23 -4.45 135.00 133.33 2jts n PRO 38 Ca -0.02 0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 61.63 2jts n PRO 38 Cb 0.42 -1.54 -0.17 0.00 -0.02 0.00 0.00 33.50 32.19 2jts n PRO 38 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jts s ASP 39 N -2.88 2.73 0.14 2.55 2.15 -1.26 -5.01 116.67 115.07 2jts s ASP 39 Ca 0.00 -0.72 0.17 0.00 0.43 0.00 0.00 52.55 52.43 2jts s ASP 39 Cb 0.00 -0.57 0.76 0.00 -0.30 0.00 0.00 42.92 42.81 2jts s ASP 39 CO 0.00 -0.29 1.54 0.29 -0.17 0.00 0.00 175.17 176.54 2jts n LYS 40 N 5.07 0.09 0.00 4.34 5.02 -1.26 -1.79 118.16 129.63 2jts n LYS 40 Ca -0.09 0.38 0.14 0.00 -2.02 0.00 0.00 58.31 56.73 2jts n LYS 40 Cb 0.48 -1.70 0.55 0.00 -0.02 0.00 0.00 35.03 34.34 2jts n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jts n ASN 41 N -1.88 0.71 -4.76 4.39 5.15 -1.26 -1.11 115.26 116.50 2jts n ASN 41 Ca 0.02 -0.77 -0.35 0.00 -0.60 0.00 0.00 54.58 52.88 2jts n ASN 41 Cb 0.16 -0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.44 2jts n ASN 41 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jts s ASP 42 N -2.42 5.35 -1.43 1.20 2.15 -0.74 -4.41 116.67 116.37 2jts s ASP 42 Ca 0.29 2.23 -0.14 0.00 0.43 0.00 0.00 52.55 55.36 2jts s ASP 42 Cb 0.20 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.27 2jts s ASP 42 CO 0.47 -1.48 2.21 0.41 -0.17 0.00 0.00 175.17 176.61 2jts n THR 43 N -1.66 3.39 -2.25 1.71 -1.04 -0.60 -3.94 114.28 109.89 2jts n THR 43 Ca 0.12 -2.97 -0.38 0.00 -2.04 0.00 0.00 64.05 58.78 2jts n THR 43 Cb 0.51 -2.59 -0.03 0.00 -1.82 0.00 0.00 70.33 66.39 2jts n THR 43 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jts s VAL 44 N 3.30 3.54 0.27 12.58 1.01 -1.21 -1.62 120.40 138.26 2jts s VAL 44 Ca 0.48 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 2jts s VAL 44 Cb 0.14 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2jts s VAL 44 CO -0.08 -1.32 0.95 -0.54 0.00 0.00 0.00 175.10 174.12 2jts s LYS 45 N 6.42 4.76 -0.07 2.72 1.02 0.11 -0.96 119.74 133.75 2jts s LYS 45 Ca 0.55 1.47 0.01 0.00 0.02 0.00 0.00 55.97 58.02 2jts s LYS 45 Cb -0.09 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2jts s LYS 45 CO 0.13 0.43 -0.08 0.08 -0.92 0.00 0.00 175.35 174.98 2jts s VAL 46 N -1.30 0.89 0.24 3.17 1.01 0.34 -1.09 120.40 123.65 2jts s VAL 46 Ca 0.44 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2jts s VAL 46 Cb -0.24 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 2jts s VAL 46 CO 0.30 0.32 0.10 -0.72 0.00 0.00 0.00 175.10 175.10 2jts s TYR 47 N 1.11 1.41 0.35 5.22 1.13 -0.50 -0.77 117.35 125.31 2jts s TYR 47 Ca -0.07 -1.23 -0.05 0.00 -1.41 0.00 0.00 57.07 54.31 2jts s TYR 47 Cb -0.14 -0.79 0.01 0.00 -1.10 0.00 0.00 41.96 39.94 2jts s TYR 47 CO -0.01 -0.42 0.53 0.00 -2.51 0.00 0.00 175.55 173.14 2jts h ASN 49 N 2.09 0.00 -0.00 0.00 -0.73 -1.95 0.19 115.58 115.18 2jts h ASN 49 Ca -0.29 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.88 2jts h ASN 49 Cb 1.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.83 2jts h ASN 49 CO 0.39 0.06 -0.14 0.00 -0.37 0.00 0.00 177.43 177.38 2jts n ALA 50 N -2.22 2.53 -2.32 1.57 0.00 -1.26 -4.25 120.51 114.55 2jts n ALA 50 Ca -0.02 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 2jts n ALA 50 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 0.83 -0.30 1.08 0.00 0.00 -1.24 -4.80 105.19 100.77 2jts n GLY 51 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jts n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jts n ARG 52 N -2.57 0.00 0.27 1.61 3.00 -1.26 -4.65 116.66 113.06 2jts n ARG 52 Ca -0.19 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 57.81 2jts n ARG 52 Cb 0.64 -0.28 0.74 0.00 0.00 0.00 0.00 32.46 33.57 2jts n ARG 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jts h GLN 53 N 0.00 0.00 -0.57 -0.14 4.20 -1.95 -0.24 115.11 116.41 2jts h GLN 53 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2jts h GLN 53 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2jts h GLN 53 CO 0.00 0.08 0.16 0.66 -0.67 0.00 0.00 178.83 179.06 2jts h SER 54 N 0.00 0.85 -0.70 1.46 4.64 -1.85 0.03 113.55 117.98 2jts h SER 54 Ca -0.00 -0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2jts h SER 54 Cb 0.41 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.24 2jts h SER 54 CO 0.01 0.85 0.44 1.23 -0.87 0.00 0.00 176.83 178.49 2jts h GLY 55 N 0.81 1.01 1.05 -0.77 0.00 -1.41 -1.10 103.07 102.65 2jts h GLY 55 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2jts h GLY 55 CO -0.00 0.29 0.33 1.46 0.00 0.00 0.00 176.54 178.62 2jts h GLN 56 N 0.87 1.20 -0.26 4.80 4.20 -0.71 0.10 115.11 125.31 2jts h GLN 56 Ca 0.28 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2jts h GLN 56 Cb 0.01 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2jts h GLN 56 CO -0.10 0.96 -0.07 0.00 -0.67 0.00 0.00 178.83 178.95 2jts h ALA 57 N 1.18 1.40 -0.48 3.87 0.00 -0.70 -0.01 119.26 124.52 2jts h ALA 57 Ca 0.27 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2jts h ALA 57 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jts h ALA 57 CO -0.02 0.41 -0.20 -0.22 0.00 0.00 0.00 179.25 179.22 2jts h LYS 58 N 0.39 0.98 -0.57 0.00 3.11 -0.03 -0.40 116.57 120.05 2jts h LYS 58 Ca 0.08 -0.41 -0.00 0.00 -2.81 0.00 0.00 60.65 57.51 2jts h LYS 58 Cb 0.37 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 2jts h LYS 58 CO 0.02 1.08 0.34 0.93 -2.81 0.00 0.00 179.45 179.01 2jts h GLU 59 N 0.85 0.77 -0.15 1.90 5.08 -0.23 0.13 114.58 122.93 2jts h GLU 59 Ca 0.11 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2jts h GLU 59 Cb 0.78 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2jts h GLU 59 CO 0.06 0.56 -0.06 0.82 -1.00 0.00 0.00 179.01 179.39 2jts h ILE 60 N 0.76 0.79 0.00 3.13 2.04 -0.83 -2.12 117.51 121.29 2jts h ILE 60 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2jts h ILE 60 Cb -0.01 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2jts h ILE 60 CO -0.04 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.04 2jts h LEU 61 N -0.04 0.00 -0.71 1.44 3.38 -0.62 -1.17 115.31 117.58 2jts h LEU 61 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2jts h LEU 61 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jts h LEU 61 CO -0.18 0.00 -0.28 0.28 0.09 0.00 0.00 178.44 178.35 2jts h SER 62 N 0.00 0.70 -0.47 -0.43 0.02 -0.10 -1.96 113.55 111.31 2jts h SER 62 Ca 0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2jts h SER 62 Cb 0.52 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2jts h SER 62 CO 0.00 0.94 0.16 -0.33 -1.14 0.00 0.00 176.83 176.46 2jts h GLU 63 N 0.58 0.78 0.00 3.45 5.08 -0.80 -2.05 114.58 121.62 2jts h GLU 63 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jts h GLU 63 Cb 0.78 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2jts h GLU 63 CO 0.06 0.68 0.00 -1.33 -1.00 0.00 0.00 179.01 177.43 2jts n MET 64 N -4.30 0.54 -2.52 2.33 2.81 -0.96 -4.90 117.12 110.12 2jts n MET 64 Ca 0.04 0.03 -0.05 0.00 -1.81 0.00 0.00 57.70 55.91 2jts n MET 64 Cb 0.20 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.23 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 0.35 0.38 3.24 3.03 0.00 -0.77 -5.03 105.19 106.39 2jts n GLY 65 Ca 0.14 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.30 -3.03 0.00 1.61 4.11 -0.78 -5.00 117.16 111.77 2jts n TYR 66 Ca -0.04 0.15 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 2jts n TYR 66 Cb 0.53 -1.65 0.00 0.00 -0.00 0.00 0.00 39.34 38.22 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 -2.83 0.00 -2.12 -3.48 -2.24 -1.09 -4.92 114.28 97.60 2jts n THR 67 Ca 0.04 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2jts n THR 67 Cb 0.54 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 2jts n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jts n HIS 68 N -0.72 0.00 -2.08 4.78 -0.00 -0.27 -4.85 115.22 112.09 2jts n HIS 68 Ca 0.00 -0.19 -0.38 0.00 0.46 0.00 0.00 57.72 57.60 2jts n HIS 68 Cb 0.09 0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 2jts n HIS 68 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jts s VAL 69 N 0.00 2.70 -0.09 3.57 1.01 -1.24 -3.36 120.40 122.98 2jts s VAL 69 Ca 0.08 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 2jts s VAL 69 Cb 0.09 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 33.20 2jts s VAL 69 CO -0.04 0.04 0.20 -0.70 0.00 0.00 0.00 175.10 174.60 2jts s GLU 70 N -2.51 0.14 -0.50 2.72 2.12 -0.13 -4.93 118.70 115.62 2jts s GLU 70 Ca 0.62 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 2jts s GLU 70 Cb -0.35 -0.15 0.02 0.00 0.26 0.00 0.00 34.13 33.91 2jts s GLU 70 CO 0.44 -0.19 1.30 1.21 -0.54 0.00 0.00 175.26 177.48 2jts s ASN 71 N 1.42 6.39 0.12 -1.70 3.04 -1.26 -0.51 114.94 122.44 2jts s ASN 71 Ca -0.07 0.46 -0.12 0.00 0.04 0.00 0.00 52.86 53.17 2jts s ASN 71 Cb -0.11 -2.55 -0.07 0.00 -1.54 0.00 0.00 41.25 36.98 2jts s ASN 71 CO -0.07 -1.46 1.43 0.00 -3.04 0.00 0.00 177.10 173.96 2jts h ALA 72 N 10.17 0.49 0.00 1.71 0.00 -1.30 -3.46 119.26 126.86 2jts h ALA 72 Ca -0.26 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jts h ALA 72 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jts h ALA 72 CO 1.14 0.61 0.00 0.41 0.00 0.00 0.00 179.25 181.41 2jts n GLY 73 N 0.24 -0.03 3.50 0.00 0.00 -1.24 -4.86 105.19 102.81 2jts n GLY 73 Ca -0.03 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 2.09 0.30 -0.02 0.00 -1.26 -3.73 107.32 104.70 2jts s GLY 74 Ca 0.00 -2.05 0.06 0.00 0.00 0.00 0.00 44.72 42.73 2jts s GLY 74 CO 0.00 -1.94 1.77 -2.00 0.00 0.00 0.00 173.10 170.93 2jts h LEU 75 N 2.09 0.76 -1.35 0.66 5.85 -1.13 0.17 115.31 122.37 2jts h LEU 75 Ca -0.41 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 2jts h LEU 75 Cb 1.24 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2jts h LEU 75 CO 0.71 0.26 -0.30 0.11 -0.34 0.00 0.00 178.44 178.88 2jts h LYS 76 N 0.74 0.00 0.11 1.25 1.57 -1.87 -3.21 116.57 115.17 2jts h LYS 76 Ca 0.58 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 59.04 2jts h LYS 76 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2jts h LYS 76 CO -0.39 0.30 -1.69 0.22 -0.57 0.00 0.00 179.45 177.32 2jts h ASP 77 N 0.00 0.36 -2.46 0.86 3.58 -1.09 -3.44 116.42 114.23 2jts h ASP 77 Ca -0.00 -0.59 -0.54 0.00 0.42 0.00 0.00 57.03 56.31 2jts h ASP 77 Cb 0.63 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.57 2jts h ASP 77 CO 0.04 1.51 1.18 -0.63 -2.88 0.00 0.00 179.24 178.46 2jts s ILE 78 N -2.60 3.25 -0.39 2.25 1.09 -0.86 -4.87 121.20 119.06 2jts s ILE 78 Ca -0.12 0.29 0.09 0.00 -1.10 0.00 0.00 60.65 59.81 2jts s ILE 78 Cb 0.07 -3.19 0.61 0.00 -1.06 0.00 0.00 42.46 38.88 2jts s ILE 78 CO 0.83 -0.03 1.54 0.00 -0.10 0.00 0.00 174.94 177.18 2jts n ALA 79 N 7.51 3.97 -1.93 9.38 0.00 -1.26 -4.92 120.51 133.25 2jts n ALA 79 Ca 0.19 -1.71 -0.31 0.00 0.00 0.00 0.00 53.44 51.62 2jts n ALA 79 Cb 0.42 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.43 3.69 0.77 0.00 -1.94 -1.26 -5.06 119.30 113.07 2jts s MET 80 Ca 0.43 0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 54.97 2jts s MET 80 Cb 0.34 -2.15 -0.01 0.00 2.01 0.00 0.00 34.83 35.02 2jts s MET 80 CO 0.11 -0.42 0.61 -2.30 -0.01 0.00 0.00 175.02 173.01 2jts n PRO 81 N -2.32 0.21 -4.14 2.03 -0.02 -1.26 -4.86 135.00 124.64 2jts n PRO 81 Ca 0.05 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 2jts n PRO 81 Cb 0.54 -1.92 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 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 -3.08 0.74 -0.00 -0.52 1.02 -1.26 -1.18 119.74 115.46 2jts s LYS 82 Ca 0.65 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 55.62 2jts s LYS 82 Cb -0.32 -0.41 -0.01 0.00 -0.52 0.00 0.00 37.83 36.57 2jts s LYS 82 CO 0.58 0.06 -0.13 0.08 -0.92 0.00 0.00 175.35 175.02 2jts s VAL 83 N -2.29 0.99 0.85 3.17 1.01 -0.31 -4.83 120.40 118.98 2jts s VAL 83 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2jts s VAL 83 Cb -0.04 -0.84 0.10 0.00 0.00 0.00 0.00 36.38 35.61 2jts s VAL 83 CO -0.01 0.22 1.11 -0.54 0.00 0.00 0.00 175.10 175.88 2jts s LYS 84 N -0.44 1.62 0.00 2.72 -0.14 -1.26 -1.46 119.74 120.79 2jts s LYS 84 Ca 0.04 1.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 2jts s LYS 84 Cb -0.05 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.28 2jts s LYS 84 CO -0.00 -2.11 0.28 0.41 -0.76 0.00 0.00 175.35 173.18