#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 0.42 0.09 0.00 2.02 -1.26 -2.42 118.70 117.55 2jts s GLU 2 Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.20 2jts s GLU 2 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 2jts s GLU 2 CO 0.00 -0.06 -0.09 -1.01 0.02 0.00 0.00 175.26 174.12 2jts s HIS 3 N -2.26 0.95 -0.04 1.61 3.76 -0.27 -4.94 115.29 114.10 2jts s HIS 3 Ca -0.08 -0.72 0.06 0.00 -0.15 0.00 0.00 55.06 54.17 2jts s HIS 3 Cb -0.04 -0.53 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 2jts s HIS 3 CO -0.04 -0.06 -0.23 -1.58 -0.85 0.00 0.00 174.74 171.98 2jts s TRP 4 N -2.72 2.20 -0.06 1.40 0.52 -1.26 -1.12 118.94 117.90 2jts s TRP 4 Ca 0.06 -0.54 0.00 0.00 0.02 0.00 0.00 56.10 55.64 2jts s TRP 4 Cb -0.01 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 2jts s TRP 4 CO -0.02 -0.13 -0.05 0.42 0.02 0.00 0.00 176.95 177.20 2jts s ILE 5 N -0.32 0.64 -0.50 2.03 -1.09 -0.23 -1.83 121.20 119.91 2jts s ILE 5 Ca 0.02 -0.13 -0.26 0.00 -2.23 0.00 0.00 60.65 58.05 2jts s ILE 5 Cb -0.11 -0.68 0.03 0.00 -1.58 0.00 0.00 42.46 40.12 2jts s ILE 5 CO 0.01 0.27 1.00 -0.62 -1.23 0.00 0.00 174.94 174.37 2jts s ASP 6 N 1.26 6.49 -0.28 3.58 2.15 0.23 -1.78 116.67 128.32 2jts s ASP 6 Ca -0.05 0.09 0.12 0.00 0.43 0.00 0.00 52.55 53.14 2jts s ASP 6 Cb -0.14 -2.48 0.74 0.00 -0.30 0.00 0.00 42.92 40.75 2jts s ASP 6 CO -0.02 -1.17 1.74 1.33 -0.17 0.00 0.00 175.17 176.88 2jts n VAL 7 N 6.49 2.81 -3.80 1.11 0.24 -0.62 -0.59 118.33 123.97 2jts n VAL 7 Ca 0.07 -1.64 -0.19 0.00 -2.04 0.00 0.00 64.34 60.54 2jts n VAL 7 Cb 0.48 -0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 0.02 0.90 -1.83 7.34 0.63 -1.26 -0.80 116.66 121.67 2jts n ARG 8 Ca 0.35 -2.50 -0.34 0.00 -0.92 0.00 0.00 57.85 54.43 2jts n ARG 8 Cb 1.27 0.28 0.05 0.00 0.45 0.00 0.00 32.46 34.50 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 -1.99 2.88 0.30 5.15 -7.23 -1.26 -4.03 120.40 114.22 2jts s VAL 9 Ca 0.22 0.47 0.23 0.00 -1.81 0.00 0.00 61.98 61.08 2jts s VAL 9 Cb -0.02 -3.06 0.23 0.00 0.56 0.00 0.00 36.38 34.09 2jts s VAL 9 CO 0.14 -0.20 1.66 -0.65 -0.31 0.00 0.00 175.10 175.74 2jts h PRO 10 N 0.35 0.00 -0.88 4.82 0.11 -1.99 -2.91 132.00 131.50 2jts h PRO 10 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 2jts h PRO 10 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 2jts h PRO 10 CO 0.54 0.00 0.57 1.49 -0.21 0.00 0.00 178.00 180.39 2jts h GLU 11 N 0.00 0.93 -0.06 1.05 4.81 -2.00 -0.22 114.58 119.09 2jts h GLU 11 Ca 0.00 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2jts h GLU 11 Cb 0.54 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2jts h GLU 11 CO 0.00 0.61 -0.40 -0.56 -0.73 0.00 0.00 179.01 177.93 2jts h GLN 12 N 0.96 0.38 -1.00 1.92 3.07 -1.84 -3.34 115.11 115.26 2jts h GLN 12 Ca 0.39 -0.33 0.16 0.00 0.09 0.00 0.00 58.65 58.96 2jts h GLN 12 Cb 0.26 0.07 -0.09 0.00 0.08 0.00 0.00 27.48 27.80 2jts h GLN 12 CO -0.15 0.97 0.62 -0.92 0.09 0.00 0.00 178.83 179.45 2jts h TYR 13 N -0.11 1.08 0.08 0.06 5.03 -1.33 -0.90 116.97 120.87 2jts h TYR 13 Ca -0.03 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.33 2jts h TYR 13 Cb 1.07 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 38.98 2jts h TYR 13 CO 0.13 0.33 -0.27 1.96 -1.32 0.00 0.00 178.16 178.99 2jts h GLN 14 N 0.85 -0.44 -0.03 1.82 1.08 -1.21 -2.50 115.11 114.68 2jts h GLN 14 Ca 0.53 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.75 2jts h GLN 14 Cb 0.72 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2jts h GLN 14 CO -0.32 -0.30 -0.05 -0.56 -0.95 0.00 0.00 178.83 176.66 2jts h GLN 15 N -0.46 0.09 -2.07 1.46 3.07 -1.36 -2.24 115.11 113.61 2jts h GLN 15 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 2jts h GLN 15 Cb 0.50 0.01 -0.19 0.00 0.08 0.00 0.00 27.48 27.89 2jts h GLN 15 CO -0.18 0.62 0.31 -1.83 0.09 0.00 0.00 178.83 177.84 2jts s GLU 16 N -3.99 0.96 0.11 0.06 1.03 -0.48 -4.09 118.70 112.30 2jts s GLU 16 Ca -0.16 0.07 0.03 0.00 0.03 0.00 0.00 54.97 54.94 2jts s GLU 16 Cb 0.02 0.45 -0.04 0.00 -0.80 0.00 0.00 34.13 33.76 2jts s GLU 16 CO 0.70 -0.33 -0.08 -3.38 -1.33 0.00 0.00 175.26 170.83 2jts s HIS 17 N -1.73 1.00 0.19 4.83 -3.43 0.19 -3.70 115.29 112.65 2jts s HIS 17 Ca -0.05 -0.79 -0.33 0.00 -0.80 0.00 0.00 55.06 53.08 2jts s HIS 17 Cb -0.00 -0.55 -0.13 0.00 -1.43 0.00 0.00 32.58 30.46 2jts s HIS 17 CO 0.03 -0.06 1.63 0.28 -2.00 0.00 0.00 174.74 174.62 2jts n VAL 18 N 0.15 0.12 -1.70 -5.38 0.31 -1.26 -1.61 118.33 108.96 2jts n VAL 18 Ca -0.13 -0.03 -0.52 0.00 -0.01 0.00 0.00 64.34 63.64 2jts n VAL 18 Cb 0.60 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 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 3.49 1.73 -0.72 5.55 0.00 -0.23 -1.41 117.38 125.78 2jts n GLN 19 Ca 0.16 0.63 0.00 0.00 -0.00 0.00 0.00 57.00 57.79 2jts n GLN 19 Cb 0.32 -2.41 0.00 0.00 0.00 0.00 0.00 30.24 28.15 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 4.32 1.41 3.74 1.69 0.00 -1.26 -4.99 105.19 110.09 2jts n GLY 20 Ca 0.24 0.00 -0.41 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 -3.56 3.63 0.01 4.61 0.00 -0.50 -4.79 121.76 121.17 2jts s ALA 21 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 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 -0.72 0.96 0.42 0.00 0.00 0.00 175.76 176.42 2jts s ILE 22 N 0.15 4.83 -0.32 0.00 1.01 -0.76 -4.68 121.20 121.43 2jts s ILE 22 Ca 0.60 2.02 -0.29 0.00 0.00 0.00 0.00 60.65 62.99 2jts s ILE 22 Cb -0.41 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 37.75 2jts s ILE 22 CO 0.41 0.19 1.36 0.21 0.00 0.00 0.00 174.94 177.11 2jts s ASN 23 N 0.86 6.57 -0.40 3.58 3.84 -1.26 -0.60 114.94 127.52 2jts s ASN 23 Ca 0.50 1.15 0.04 0.00 0.21 0.00 0.00 52.86 54.76 2jts s ASN 23 Cb -0.21 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.12 2jts s ASN 23 CO 0.28 -1.18 0.33 -0.63 -2.79 0.00 0.00 177.10 173.11 2jts s ILE 24 N 4.70 0.25 0.66 -5.21 1.01 0.24 -4.96 121.20 117.89 2jts s ILE 24 Ca 0.59 -2.43 -0.17 0.00 0.00 0.00 0.00 60.65 58.64 2jts s ILE 24 Cb -0.17 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2jts s ILE 24 CO 0.26 -1.15 0.71 -2.65 0.00 0.00 0.00 174.94 172.10 2jts n PRO 25 N 3.04 0.51 -0.34 2.79 -0.02 -1.26 -4.19 135.00 135.53 2jts n PRO 25 Ca 0.27 0.21 0.24 0.00 -2.02 0.00 0.00 63.50 62.20 2jts n PRO 25 Cb 0.47 -1.95 0.50 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.04 0.46 -0.77 2.45 5.85 -1.25 0.11 115.31 122.12 2jts h LEU 26 Ca -0.47 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2jts h LEU 26 Cb 1.36 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2jts h LEU 26 CO 0.46 0.04 0.00 0.29 -0.34 0.00 0.00 178.44 178.89 2jts n LYS 27 N -4.71 0.19 0.00 1.25 4.76 -1.26 -3.65 118.16 114.74 2jts n LYS 27 Ca 0.27 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2jts n LYS 27 Cb 0.93 -1.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 -2.23 1.68 -0.29 1.97 1.02 0.23 -4.79 120.64 118.22 2jts n GLU 28 Ca 0.02 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.38 2jts n GLU 28 Cb 0.21 -0.86 0.54 0.00 -0.02 0.00 0.00 31.44 31.31 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 0.57 -0.33 2.62 3.04 -1.19 -0.94 116.25 120.01 2jts h VAL 29 Ca 0.00 -0.12 0.10 0.00 -1.01 0.00 0.00 66.70 65.67 2jts h VAL 29 Cb 0.00 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 2jts h VAL 29 CO 0.00 0.06 0.24 0.50 -1.01 0.00 0.00 177.57 177.36 2jts h LYS 30 N 0.35 0.00 0.00 4.17 3.64 -1.87 -2.51 116.57 120.35 2jts h LYS 30 Ca 0.54 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.74 2jts h LYS 30 Cb 1.46 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 2jts h LYS 30 CO -0.22 0.00 -1.63 0.39 -2.27 0.00 0.00 179.45 175.73 2jts n GLU 31 N -4.44 0.25 0.31 1.90 1.02 -0.47 -4.66 120.64 114.55 2jts n GLU 31 Ca 0.05 0.09 0.20 0.00 -0.02 0.00 0.00 57.16 57.48 2jts n GLU 31 Cb 0.41 -1.04 0.99 0.00 -0.02 0.00 0.00 31.44 31.79 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 -0.24 0.00 -0.67 3.49 3.08 -1.28 -2.02 114.38 116.74 2jts h ARG 32 Ca -0.27 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.90 2jts h ARG 32 Cb 1.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.31 2jts h ARG 32 CO -0.12 0.01 0.45 0.97 -1.07 0.00 0.00 179.97 180.21 2jts h ILE 33 N 0.00 0.86 -0.79 2.04 6.09 -1.68 -2.47 117.51 121.56 2jts h ILE 33 Ca -0.00 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.32 2jts h ILE 33 Cb 0.20 0.38 -0.04 0.00 0.47 0.00 0.00 36.82 37.84 2jts h ILE 33 CO 0.00 0.08 0.44 0.00 -3.07 0.00 0.00 178.15 175.60 2jts h ALA 34 N 1.67 1.01 0.04 0.18 0.00 -1.62 0.13 119.26 120.67 2jts h ALA 34 Ca 0.32 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.88 2jts h ALA 34 Cb 0.65 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jts h ALA 34 CO -0.10 0.52 -1.02 1.79 0.00 0.00 0.00 179.25 180.44 2jts h THR 35 N 1.10 1.46 -0.15 0.00 1.35 -1.71 -3.23 112.91 111.72 2jts h THR 35 Ca 0.28 -2.70 -0.16 0.00 -0.55 0.00 0.00 66.41 63.28 2jts h THR 35 Cb 0.02 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2jts h THR 35 CO -0.05 0.80 -0.57 0.00 -0.25 0.00 0.00 175.52 175.45 2jts h ALA 36 N 0.75 0.73 -2.44 6.62 0.00 -0.93 -3.39 119.26 120.59 2jts h ALA 36 Ca -0.09 -0.52 -0.59 0.00 0.00 0.00 0.00 54.91 53.71 2jts h ALA 36 Cb 1.69 -0.08 -0.38 0.00 0.00 0.00 0.00 17.79 19.02 2jts h ALA 36 CO 0.17 0.70 -0.93 0.08 0.00 0.00 0.00 179.25 179.26 2jts s VAL 37 N -3.92 0.61 -1.84 0.00 1.01 0.39 -5.00 120.40 111.65 2jts s VAL 37 Ca -0.06 -2.83 0.20 0.00 0.00 0.00 0.00 61.98 59.29 2jts s VAL 37 Cb 0.11 -1.43 0.51 0.00 0.00 0.00 0.00 36.38 35.57 2jts s VAL 37 CO 0.83 -1.21 1.60 -0.81 0.00 0.00 0.00 175.10 175.51 2jts n PRO 38 N 2.75 0.54 -3.81 2.72 -0.04 -1.22 -4.20 135.00 131.74 2jts n PRO 38 Ca 0.29 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.48 2jts n PRO 38 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 2jts n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jts s ASP 39 N -2.16 3.69 0.32 3.54 2.15 -1.26 -5.03 116.67 117.92 2jts s ASP 39 Ca 0.27 -1.30 0.23 0.00 0.43 0.00 0.00 52.55 52.19 2jts s ASP 39 Cb 0.14 -0.92 1.15 0.00 -0.30 0.00 0.00 42.92 42.99 2jts s ASP 39 CO 0.25 -0.33 1.70 0.29 -0.17 0.00 0.00 175.17 176.91 2jts n LYS 40 N 4.82 0.17 0.27 4.34 5.02 -1.26 -1.67 118.16 129.84 2jts n LYS 40 Ca -0.07 0.57 0.16 0.00 -2.02 0.00 0.00 58.31 56.96 2jts n LYS 40 Cb 0.44 -1.95 0.62 0.00 -0.02 0.00 0.00 35.03 34.12 2jts n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jts h ASN 41 N 0.00 0.00 -4.18 4.39 -1.24 -1.94 -2.06 115.58 110.55 2jts h ASN 41 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jts h ASN 41 Cb 0.12 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.31 2jts h ASN 41 CO 0.00 0.04 0.39 -0.62 -1.29 0.00 0.00 177.43 175.95 2jts s ASP 42 N -5.82 4.62 0.16 1.15 2.15 -0.67 -4.46 116.67 113.81 2jts s ASP 42 Ca 0.01 2.21 -0.30 0.00 0.43 0.00 0.00 52.55 54.91 2jts s ASP 42 Cb 0.09 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.07 2jts s ASP 42 CO 0.57 -1.97 1.06 -0.89 -0.17 0.00 0.00 175.17 173.77 2jts s THR 43 N -2.10 4.06 -0.43 1.71 2.01 -1.02 -4.26 115.64 115.61 2jts s THR 43 Ca 0.71 1.76 0.02 0.00 0.31 0.00 0.00 61.69 64.49 2jts s THR 43 Cb -0.26 -4.12 0.13 0.00 0.01 0.00 0.00 72.50 68.27 2jts s THR 43 CO 0.43 0.29 0.23 -0.69 -0.69 0.00 0.00 174.62 174.19 2jts s VAL 44 N -0.18 1.34 0.11 3.82 1.01 -0.34 -1.12 120.40 125.06 2jts s VAL 44 Ca 0.49 -2.49 -0.31 0.00 0.00 0.00 0.00 61.98 59.67 2jts s VAL 44 Cb -0.27 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 2jts s VAL 44 CO 0.33 -0.89 1.26 -0.54 0.00 0.00 0.00 175.10 175.25 2jts s LYS 45 N 0.41 4.41 0.02 2.72 1.02 -0.27 -1.15 119.74 126.91 2jts s LYS 45 Ca 0.17 1.89 0.08 0.00 0.02 0.00 0.00 55.97 58.14 2jts s LYS 45 Cb -0.24 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2jts s LYS 45 CO 0.00 -0.26 -0.23 0.14 -0.92 0.00 0.00 175.35 174.08 2jts s VAL 46 N 0.73 1.87 0.11 3.17 -7.23 -0.09 -1.07 120.40 117.89 2jts s VAL 46 Ca 0.59 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2jts s VAL 46 Cb -0.33 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2jts s VAL 46 CO 0.32 0.36 0.07 -0.72 -0.31 0.00 0.00 175.10 174.82 2jts s TYR 47 N -0.72 0.62 0.32 2.82 1.13 -0.73 -0.56 117.35 120.24 2jts s TYR 47 Ca 0.09 -1.06 0.03 0.00 -1.41 0.00 0.00 57.07 54.72 2jts s TYR 47 Cb -0.09 -0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 40.40 2jts s TYR 47 CO 0.01 -0.50 0.37 0.00 -2.51 0.00 0.00 175.55 172.92 2jts h ASN 49 N 1.91 0.85 0.00 0.00 -0.73 -1.93 0.20 115.58 115.87 2jts h ASN 49 Ca -0.24 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 57.76 2jts h ASN 49 Cb 1.13 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 39.50 2jts h ASN 49 CO 0.34 0.84 -1.05 0.00 -0.37 0.00 0.00 177.43 177.19 2jts n ALA 50 N -2.46 2.04 0.00 1.57 0.00 -1.26 -2.50 120.51 117.90 2jts n ALA 50 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jts n ALA 50 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 2.44 2.29 0.25 0.00 0.00 -1.25 -3.86 105.19 105.06 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 0.07 0.00 0.00 0.00 173.32 173.39 2jts h ARG 52 N 0.79 0.88 -0.21 1.61 -0.00 -1.93 -1.47 114.38 114.05 2jts h ARG 52 Ca 0.00 -0.41 -0.08 0.00 -0.00 0.00 0.00 59.98 59.49 2jts h ARG 52 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 29.95 2jts h ARG 52 CO 0.00 1.06 -0.21 1.96 -0.00 0.00 0.00 179.97 182.78 2jts h GLN 53 N 0.69 0.37 -0.03 0.08 4.20 -1.97 0.27 115.11 118.72 2jts h GLN 53 Ca 0.08 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 2jts h GLN 53 Cb 0.83 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 2jts h GLN 53 CO 0.07 0.57 -0.58 0.66 -0.67 0.00 0.00 178.83 178.88 2jts h SER 54 N 0.33 0.11 -0.36 1.46 4.64 -1.82 -0.57 113.55 117.35 2jts h SER 54 Ca 0.06 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 2jts h SER 54 Cb 0.56 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 2jts h SER 54 CO 0.04 0.67 0.09 1.23 -0.87 0.00 0.00 176.83 177.99 2jts h GLY 55 N 1.62 0.43 0.96 -0.77 0.00 -0.12 0.24 103.07 105.43 2jts h GLY 55 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2jts h GLY 55 CO 0.08 -0.00 0.19 1.46 0.00 0.00 0.00 176.54 178.26 2jts h GLN 56 N 0.22 0.49 -0.52 4.80 4.20 -0.66 -2.18 115.11 121.46 2jts h GLN 56 Ca 0.17 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2jts h GLN 56 Cb 0.17 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2jts h GLN 56 CO -0.20 0.41 0.35 0.00 -0.67 0.00 0.00 178.83 178.72 2jts h ALA 57 N 1.05 1.67 -0.62 3.87 0.00 -0.83 -1.74 119.26 122.66 2jts h ALA 57 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2jts h ALA 57 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jts h ALA 57 CO -0.02 0.29 0.26 -0.22 0.00 0.00 0.00 179.25 179.56 2jts h LYS 58 N 0.67 0.92 -0.42 0.00 3.11 -0.33 -0.35 116.57 120.17 2jts h LYS 58 Ca 0.20 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 2jts h LYS 58 Cb -0.01 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.04 2jts h LYS 58 CO -0.05 0.77 0.15 0.93 -2.81 0.00 0.00 179.45 178.44 2jts h GLU 59 N 0.86 0.65 -0.12 1.90 5.08 -0.94 -0.06 114.58 121.95 2jts h GLU 59 Ca 0.21 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2jts h GLU 59 Cb 0.18 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2jts h GLU 59 CO -0.02 0.62 -0.12 0.82 -1.00 0.00 0.00 179.01 179.31 2jts h ILE 60 N 0.54 0.67 0.00 3.13 2.04 -0.97 -1.37 117.51 121.54 2jts h ILE 60 Ca 0.14 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 2jts h ILE 60 Cb 0.23 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jts h ILE 60 CO -0.01 0.00 -0.45 -0.07 0.00 0.00 0.00 178.15 177.62 2jts h LEU 61 N -0.14 0.00 -0.47 1.44 3.38 -0.88 -0.84 115.31 117.79 2jts h LEU 61 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2jts h LEU 61 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jts h LEU 61 CO -0.21 0.45 0.10 0.28 0.09 0.00 0.00 178.44 179.15 2jts h SER 62 N 0.00 0.73 -0.12 -0.43 0.02 -0.60 -1.22 113.55 111.92 2jts h SER 62 Ca -0.00 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 2jts h SER 62 Cb 0.91 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2jts h SER 62 CO 0.06 0.79 -0.15 -0.33 -1.14 0.00 0.00 176.83 176.05 2jts h GLU 63 N 0.64 0.49 0.00 3.45 5.08 -0.71 -1.27 114.58 122.26 2jts h GLU 63 Ca 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jts h GLU 63 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jts h GLU 63 CO 0.01 0.64 0.00 -1.33 -1.00 0.00 0.00 179.01 177.32 2jts n MET 64 N -4.18 0.23 -0.55 2.33 2.81 -0.37 -4.90 117.12 112.49 2jts n MET 64 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2jts n MET 64 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.23 0.69 3.67 3.03 0.00 -0.48 -5.03 105.19 107.30 2jts n GLY 65 Ca 0.08 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 2.76 0.23 1.61 1.51 -0.53 -4.87 117.35 116.06 2jts s TYR 66 Ca 0.00 0.84 0.10 0.00 -1.01 0.00 0.00 57.07 57.00 2jts s TYR 66 Cb 0.00 -3.61 0.19 0.00 -0.11 0.00 0.00 41.96 38.43 2jts s TYR 66 CO 0.00 -2.25 1.52 1.15 -1.11 0.00 0.00 175.55 174.86 2jts h THR 67 N 5.22 1.52 -0.74 -0.71 2.02 -1.66 -3.37 112.91 115.19 2jts h THR 67 Ca -0.34 -2.49 -0.34 0.00 0.77 0.00 0.00 66.41 64.01 2jts h THR 67 Cb 1.15 2.35 -0.40 0.00 -1.74 0.00 0.00 68.15 69.50 2jts h THR 67 CO 0.93 0.71 -1.08 1.41 0.37 0.00 0.00 175.52 177.86 2jts n HIS 68 N -3.67 1.55 -2.46 3.16 8.25 -1.26 -5.07 115.22 115.72 2jts n HIS 68 Ca -0.01 -2.44 -0.36 0.00 -0.26 0.00 0.00 57.72 54.66 2jts n HIS 68 Cb 0.71 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 -3.80 3.58 -0.11 1.59 1.01 -1.26 -1.20 120.40 120.21 2jts s VAL 69 Ca 0.31 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 2jts s VAL 69 Cb 0.38 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 33.31 2jts s VAL 69 CO -0.02 -0.10 0.23 -0.70 0.00 0.00 0.00 175.10 174.51 2jts s GLU 70 N -2.88 0.14 -0.50 2.72 2.12 -0.30 -4.89 118.70 115.10 2jts s GLU 70 Ca 0.64 0.62 -0.28 0.00 0.36 0.00 0.00 54.97 56.31 2jts s GLU 70 Cb -0.21 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.07 2jts s GLU 70 CO 0.26 -0.24 1.48 1.21 -0.54 0.00 0.00 175.26 177.42 2jts s ASN 71 N 1.96 6.11 0.41 -1.70 2.47 -1.26 -0.91 114.94 122.01 2jts s ASN 71 Ca -0.02 0.54 0.17 0.00 0.42 0.00 0.00 52.86 53.96 2jts s ASN 71 Cb -0.12 -2.54 0.88 0.00 -1.45 0.00 0.00 41.25 38.03 2jts s ASN 71 CO -0.08 -1.68 1.87 0.00 -3.72 0.00 0.00 177.10 173.50 2jts h ALA 72 N 11.40 1.32 0.00 1.71 0.00 -1.20 -3.48 119.26 129.01 2jts h ALA 72 Ca -0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2jts h ALA 72 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jts h ALA 72 CO 1.14 0.39 0.00 0.41 0.00 0.00 0.00 179.25 181.19 2jts n GLY 73 N -0.43 0.68 3.90 0.00 0.00 -1.26 -4.72 105.19 103.36 2jts n GLY 73 Ca -0.02 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 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 1.57 0.57 -0.02 0.00 -1.25 -3.27 107.32 104.92 2jts s GLY 74 Ca 0.00 -0.40 0.27 0.00 0.00 0.00 0.00 44.72 44.59 2jts s GLY 74 CO 0.00 -0.22 2.14 -2.00 0.00 0.00 0.00 173.10 173.03 2jts h LEU 75 N 0.21 0.00 -0.08 0.66 5.85 -0.28 0.18 115.31 121.85 2jts h LEU 75 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2jts h LEU 75 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jts h LEU 75 CO 0.62 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 179.01 2jts n LYS 76 N -3.97 0.02 0.00 1.25 4.76 -1.26 -3.98 118.16 114.98 2jts n LYS 76 Ca 0.00 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2jts n LYS 76 Cb 0.24 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2jts n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jts n ASP 77 N -1.58 3.83 -4.73 4.39 2.03 0.55 -4.99 116.55 116.05 2jts n ASP 77 Ca 0.03 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 2jts n ASP 77 Cb 0.16 0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 2jts n ASP 77 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jts n ILE 78 N -1.92 1.16 -1.24 5.18 -0.00 -0.68 -4.91 119.36 116.95 2jts n ILE 78 Ca 0.00 -0.29 0.06 0.00 -0.00 0.00 0.00 62.75 62.52 2jts n ILE 78 Cb 0.41 -1.82 0.19 0.00 -0.00 0.00 0.00 39.64 38.42 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 1.80 3.07 -1.18 -1.39 0.00 -1.26 -4.94 120.51 116.61 2jts n ALA 79 Ca 0.08 -2.81 -0.31 0.00 0.00 0.00 0.00 53.44 50.40 2jts n ALA 79 Cb 0.36 -0.50 0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.02 2.07 0.75 0.00 -1.94 -1.26 -5.04 119.30 110.86 2jts s MET 80 Ca 0.37 1.21 -0.14 0.00 -1.71 0.00 0.00 55.69 55.42 2jts s MET 80 Cb 0.33 -1.87 0.05 0.00 2.01 0.00 0.00 34.83 35.35 2jts s MET 80 CO 0.01 -1.79 1.19 -1.25 -0.01 0.00 0.00 175.02 173.17 2jts s PRO 81 N -4.87 2.05 0.01 2.03 0.04 -1.26 -4.88 135.00 128.12 2jts s PRO 81 Ca 0.62 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2jts s PRO 81 Cb -0.18 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2jts s PRO 81 CO 0.56 -1.88 -0.03 0.15 0.04 0.00 0.00 177.00 175.84 2jts s LYS 82 N -4.07 0.25 0.01 4.56 1.02 -1.26 -1.07 119.74 119.18 2jts s LYS 82 Ca 0.72 -0.34 -0.06 0.00 0.02 0.00 0.00 55.97 56.31 2jts s LYS 82 Cb -0.27 -0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 36.95 2jts s LYS 82 CO 0.47 0.01 0.11 0.14 -0.92 0.00 0.00 175.35 175.16 2jts s VAL 83 N -0.68 0.09 0.87 3.17 -7.23 -0.63 -4.91 120.40 111.08 2jts s VAL 83 Ca -0.06 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2jts s VAL 83 Cb -0.05 -0.46 0.12 0.00 0.56 0.00 0.00 36.38 36.55 2jts s VAL 83 CO -0.00 -0.43 1.11 -1.59 -0.31 0.00 0.00 175.10 173.88 2jts s LYS 84 N -1.55 1.42 0.00 4.82 -2.85 -1.26 -0.64 119.74 119.68 2jts s LYS 84 Ca -0.14 1.22 0.00 0.00 -1.00 0.00 0.00 55.97 56.05 2jts s LYS 84 Cb -0.07 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2jts s LYS 84 CO 0.00 -2.25 0.00 0.41 0.10 0.00 0.00 175.35 173.62