#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 0.37 0.20 0.00 2.12 -1.26 -2.02 118.70 118.11 2jts s GLU 2 Ca 0.00 -0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 2jts s GLU 2 Cb 0.00 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2jts s GLU 2 CO 0.00 -0.08 0.14 -1.58 -0.54 0.00 0.00 175.26 173.20 2jts s HIS 3 N -0.91 1.13 -0.02 5.30 2.46 -0.20 -4.95 115.29 118.10 2jts s HIS 3 Ca -0.10 -1.36 0.03 0.00 0.47 0.00 0.00 55.06 54.11 2jts s HIS 3 Cb -0.06 -0.53 -0.00 0.00 -0.13 0.00 0.00 32.58 31.85 2jts s HIS 3 CO 0.01 -0.65 -0.11 -1.58 -2.47 0.00 0.00 174.74 169.94 2jts s TRP 4 N -4.15 1.05 -0.03 3.88 0.51 -1.26 -1.39 118.94 117.55 2jts s TRP 4 Ca 0.38 -0.23 0.00 0.00 -2.12 0.00 0.00 56.10 54.14 2jts s TRP 4 Cb 0.07 -0.70 0.03 0.00 -0.81 0.00 0.00 33.47 32.05 2jts s TRP 4 CO 0.12 -0.05 0.00 0.42 -0.51 0.00 0.00 176.95 176.93 2jts s ILE 5 N -0.11 0.17 -0.23 2.03 -1.09 -0.53 -3.49 121.20 117.95 2jts s ILE 5 Ca 0.02 0.09 -0.25 0.00 -2.23 0.00 0.00 60.65 58.28 2jts s ILE 5 Cb -0.06 -0.27 -0.01 0.00 -1.58 0.00 0.00 42.46 40.55 2jts s ILE 5 CO 0.00 0.14 0.84 -0.62 -1.23 0.00 0.00 174.94 174.07 2jts s ASP 6 N 1.03 6.86 -0.16 3.58 2.15 0.04 -3.13 116.67 127.04 2jts s ASP 6 Ca -0.10 1.07 0.17 0.00 0.43 0.00 0.00 52.55 54.12 2jts s ASP 6 Cb -0.14 -2.44 0.49 0.00 -0.30 0.00 0.00 42.92 40.54 2jts s ASP 6 CO -0.02 -0.50 1.38 1.33 -0.17 0.00 0.00 175.17 177.20 2jts n VAL 7 N 5.17 2.18 -2.95 1.11 0.24 -1.15 -0.33 118.33 122.60 2jts n VAL 7 Ca 0.06 -1.87 -0.16 0.00 -2.04 0.00 0.00 64.34 60.33 2jts n VAL 7 Cb 0.48 -0.21 0.06 0.00 -1.47 0.00 0.00 33.84 32.69 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 -0.55 0.58 -1.28 7.34 0.63 -1.26 -0.44 116.66 121.68 2jts n ARG 8 Ca 0.20 -2.41 -0.34 0.00 -0.92 0.00 0.00 57.85 54.38 2jts n ARG 8 Cb 0.84 -0.24 0.11 0.00 0.45 0.00 0.00 32.46 33.62 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 -1.92 2.05 0.62 5.15 -7.23 -1.26 -3.91 120.40 113.91 2jts s VAL 9 Ca 0.49 0.03 0.29 0.00 -1.81 0.00 0.00 61.98 60.97 2jts s VAL 9 Cb -0.04 -2.58 0.29 0.00 0.56 0.00 0.00 36.38 34.61 2jts s VAL 9 CO 0.31 -0.01 1.87 -0.65 -0.31 0.00 0.00 175.10 176.31 2jts h PRO 10 N -0.53 0.00 -0.82 4.82 0.11 -1.98 -3.21 132.00 130.39 2jts h PRO 10 Ca -0.47 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.83 2jts h PRO 10 Cb 1.31 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 2jts h PRO 10 CO 0.48 0.00 0.23 1.49 -0.21 0.00 0.00 178.00 179.99 2jts h GLU 11 N 0.00 0.26 -0.08 1.05 4.81 -1.99 0.04 114.58 118.67 2jts h GLU 11 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 2jts h GLU 11 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2jts h GLU 11 CO 0.00 0.17 -0.30 -0.56 -0.73 0.00 0.00 179.01 177.59 2jts h GLN 12 N 0.26 0.34 -0.85 1.92 3.07 -1.89 -3.29 115.11 114.68 2jts h GLN 12 Ca 0.49 -0.26 0.12 0.00 0.09 0.00 0.00 58.65 59.08 2jts h GLN 12 Cb 0.92 0.05 -0.06 0.00 0.08 0.00 0.00 27.48 28.47 2jts h GLN 12 CO -0.58 0.90 0.55 -0.92 0.09 0.00 0.00 178.83 178.87 2jts h TYR 13 N -0.14 0.83 0.00 0.06 5.03 -1.26 0.94 116.97 122.44 2jts h TYR 13 Ca -0.02 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2jts h TYR 13 Cb 0.94 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.96 2jts h TYR 13 CO 0.13 0.36 0.00 1.96 -1.32 0.00 0.00 178.16 179.28 2jts h GLN 14 N 0.75 0.00 0.00 1.82 1.08 -1.11 -3.16 115.11 114.49 2jts h GLN 14 Ca 0.41 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.60 2jts h GLN 14 Cb 0.55 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2jts h GLN 14 CO -0.17 0.00 -0.65 1.04 -0.95 0.00 0.00 178.83 178.10 2jts n GLN 15 N -2.50 0.47 -3.43 1.46 1.13 0.24 -4.02 117.38 110.73 2jts n GLN 15 Ca 0.01 0.45 -0.13 0.00 -1.94 0.00 0.00 57.00 55.40 2jts n GLN 15 Cb 0.20 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.89 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 -2.40 1.25 0.03 -1.09 -1.05 -0.70 -1.16 118.70 113.58 2jts s GLU 16 Ca -0.18 -0.39 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 2jts s GLU 16 Cb 0.03 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.27 2jts s GLU 16 CO 0.28 -0.53 -0.02 -3.38 0.95 0.00 0.00 175.26 172.55 2jts s HIS 17 N -3.46 0.36 0.38 4.83 -3.43 0.05 -3.61 115.29 110.42 2jts s HIS 17 Ca -0.00 -0.75 -0.27 0.00 -0.80 0.00 0.00 55.06 53.24 2jts s HIS 17 Cb -0.01 -0.27 -0.11 0.00 -1.43 0.00 0.00 32.58 30.76 2jts s HIS 17 CO -0.10 -0.28 1.29 0.28 -2.00 0.00 0.00 174.74 173.92 2jts n VAL 18 N 0.94 2.27 -1.69 -5.38 0.31 -1.26 -0.88 118.33 112.65 2jts n VAL 18 Ca -0.20 -0.50 -0.56 0.00 -0.01 0.00 0.00 64.34 63.07 2jts n VAL 18 Cb 0.58 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 31.85 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 0.29 1.22 -0.92 5.55 0.00 -0.43 -1.26 117.38 121.84 2jts n GLN 19 Ca 0.05 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 2jts n GLN 19 Cb 0.38 -2.13 0.00 0.00 0.00 0.00 0.00 30.24 28.48 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 3.98 0.65 3.73 1.69 0.00 -1.26 -4.90 105.19 109.08 2jts n GLY 20 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.85 2.20 -0.10 4.61 0.00 -0.39 -4.64 121.76 120.60 2jts s ALA 21 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2jts s ALA 21 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2jts s ALA 21 CO 0.00 -1.74 -0.18 0.42 0.00 0.00 0.00 175.76 174.27 2jts s ILE 22 N -2.10 1.63 -0.26 0.00 1.01 -1.23 -4.84 121.20 115.42 2jts s ILE 22 Ca 0.72 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 2jts s ILE 22 Cb -0.27 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2jts s ILE 22 CO 0.44 0.47 1.54 0.21 0.00 0.00 0.00 174.94 177.60 2jts s ASN 23 N 0.69 6.42 -0.41 3.58 3.84 -1.26 -0.78 114.94 127.02 2jts s ASN 23 Ca -0.12 1.45 0.04 0.00 0.21 0.00 0.00 52.86 54.44 2jts s ASN 23 Cb -0.16 -2.53 0.17 0.00 -0.55 0.00 0.00 41.25 38.18 2jts s ASN 23 CO 0.03 -1.25 0.36 -0.38 -2.79 0.00 0.00 177.10 173.06 2jts n ILE 24 N 6.46 -1.18 -1.48 -5.21 5.41 0.55 -4.97 119.36 118.94 2jts n ILE 24 Ca 0.18 -3.37 -0.37 0.00 1.00 0.00 0.00 62.75 60.19 2jts n ILE 24 Cb 0.46 -1.59 0.06 0.00 -0.71 0.00 0.00 39.64 37.86 2jts n ILE 24 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2jts n PRO 25 N 2.80 0.62 -0.34 0.38 -0.02 -1.25 -4.22 135.00 132.97 2jts n PRO 25 Ca 0.29 0.26 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 2jts n PRO 25 Cb 0.48 -2.03 0.44 0.00 -0.02 0.00 0.00 33.50 32.37 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 0.11 0.58 -2.30 2.45 5.85 -0.99 0.83 115.31 121.84 2jts h LEU 26 Ca -0.47 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2jts h LEU 26 Cb 1.36 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 2jts h LEU 26 CO 0.48 0.06 -0.01 0.11 -0.34 0.00 0.00 178.44 178.74 2jts h LYS 27 N 0.48 0.00 0.00 1.25 1.57 -1.90 -3.25 116.57 114.72 2jts h LYS 27 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 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 -0.44 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 178.84 2jts n GLU 28 N -3.14 0.92 -0.33 3.15 1.02 0.13 -4.85 120.64 117.55 2jts n GLU 28 Ca -0.01 -0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.09 2jts n GLU 28 Cb 0.18 -0.58 0.32 0.00 -0.02 0.00 0.00 31.44 31.33 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 0.32 0.62 -0.87 2.62 3.04 -1.17 -0.60 116.25 120.20 2jts h VAL 29 Ca 0.00 -0.21 0.08 0.00 -1.01 0.00 0.00 66.70 65.55 2jts h VAL 29 Cb 0.16 -0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.32 2jts h VAL 29 CO 0.00 0.11 0.56 0.11 -1.01 0.00 0.00 177.57 177.35 2jts h LYS 30 N 0.62 0.90 -0.01 4.17 1.57 -1.88 0.06 116.57 121.99 2jts h LYS 30 Ca 0.57 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2jts h LYS 30 Cb 0.98 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2jts h LYS 30 CO -0.43 0.60 -0.19 0.39 -0.57 0.00 0.00 179.45 179.24 2jts n GLU 31 N -4.50 1.05 0.00 3.15 -0.58 -0.24 -4.38 120.64 115.15 2jts n GLU 31 Ca 0.14 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 2jts n GLU 31 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.43 2.29 -0.13 3.49 1.74 -0.95 -4.76 116.66 117.90 2jts n ARG 32 Ca 0.14 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 2jts n ARG 32 Cb 0.35 -0.70 0.33 0.00 -1.02 0.00 0.00 32.46 31.43 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 1.13 -0.83 0.55 6.09 -1.20 -1.78 117.51 121.47 2jts h ILE 33 Ca 0.00 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 63.18 2jts h ILE 33 Cb 0.26 0.26 -0.04 0.00 0.47 0.00 0.00 36.82 37.77 2jts h ILE 33 CO 0.00 0.15 0.38 0.00 -3.07 0.00 0.00 178.15 175.60 2jts h ALA 34 N 1.62 1.07 -0.09 0.18 0.00 -1.80 0.16 119.26 120.39 2jts h ALA 34 Ca 0.24 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2jts h ALA 34 Cb -0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2jts h ALA 34 CO -0.06 0.66 -0.75 1.79 0.00 0.00 0.00 179.25 180.90 2jts h THR 35 N 1.19 1.36 -0.28 0.00 1.35 -1.79 -2.79 112.91 111.95 2jts h THR 35 Ca 0.28 -2.11 -0.13 0.00 -0.55 0.00 0.00 66.41 63.90 2jts h THR 35 Cb 0.15 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2jts h THR 35 CO -0.03 0.64 -0.33 0.00 -0.25 0.00 0.00 175.52 175.55 2jts h ALA 36 N 0.85 0.42 -2.25 6.62 0.00 -0.72 -3.40 119.26 120.77 2jts h ALA 36 Ca -0.04 -0.42 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 2jts h ALA 36 Cb 1.33 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.68 2jts h ALA 36 CO 0.13 0.47 -0.90 0.08 0.00 0.00 0.00 179.25 179.04 2jts s VAL 37 N -4.29 0.14 0.32 0.00 1.01 0.49 -5.01 120.40 113.06 2jts s VAL 37 Ca -0.12 -2.24 0.01 0.00 0.00 0.00 0.00 61.98 59.63 2jts s VAL 37 Cb 0.09 -1.08 0.28 0.00 0.00 0.00 0.00 36.38 35.66 2jts s VAL 37 CO 0.84 -1.05 1.95 -0.65 0.00 0.00 0.00 175.10 176.19 2jts h PRO 38 N 5.90 0.95 -6.23 2.72 0.11 -1.69 -3.37 132.00 130.39 2jts h PRO 38 Ca 0.20 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 65.70 2jts h PRO 38 Cb 0.95 -0.22 -0.08 0.00 0.11 0.00 0.00 31.00 31.76 2jts h PRO 38 CO 0.31 0.63 1.23 0.34 -0.21 0.00 0.00 178.00 180.30 2jts s ASP 39 N -6.18 6.21 0.00 -2.05 -1.08 -1.26 -4.86 116.67 107.45 2jts s ASP 39 Ca -0.11 -0.79 0.15 0.00 -0.52 0.00 0.00 52.55 51.28 2jts s ASP 39 Cb 0.19 -2.56 0.80 0.00 -1.46 0.00 0.00 42.92 39.89 2jts s ASP 39 CO 0.79 -1.77 1.36 0.29 0.52 0.00 0.00 175.17 176.36 2jts n LYS 40 N 9.18 0.32 0.00 4.34 5.02 -1.26 -1.41 118.16 134.35 2jts n LYS 40 Ca 0.16 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 2jts n LYS 40 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.16 1.57 -4.76 4.39 5.15 -1.26 -2.17 115.26 117.02 2jts n ASN 41 Ca 0.09 -1.28 -0.35 0.00 -0.60 0.00 0.00 54.58 52.43 2jts n ASN 41 Cb 0.09 0.71 0.03 0.00 -0.53 0.00 0.00 39.78 40.08 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 -2.70 5.34 0.10 1.20 2.15 -0.50 -4.59 116.67 117.67 2jts s ASP 42 Ca 0.14 2.28 -0.30 0.00 0.43 0.00 0.00 52.55 55.09 2jts s ASP 42 Cb 0.17 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 40.14 2jts s ASP 42 CO 0.70 -1.49 1.19 -0.89 -0.17 0.00 0.00 175.17 174.52 2jts s THR 43 N -1.73 3.89 -0.36 1.71 2.01 -0.86 -4.50 115.64 115.81 2jts s THR 43 Ca 0.75 1.43 0.01 0.00 0.31 0.00 0.00 61.69 64.19 2jts s THR 43 Cb -0.27 -3.92 0.11 0.00 0.01 0.00 0.00 72.50 68.43 2jts s THR 43 CO 0.32 0.15 0.14 -0.69 -0.69 0.00 0.00 174.62 173.86 2jts s VAL 44 N 0.66 1.14 0.15 3.82 1.01 -0.48 -1.04 120.40 125.67 2jts s VAL 44 Ca 0.56 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 2jts s VAL 44 Cb -0.30 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2jts s VAL 44 CO 0.31 -0.75 1.14 -0.54 0.00 0.00 0.00 175.10 175.26 2jts s LYS 45 N 1.12 4.53 0.08 2.72 1.02 -0.49 -1.48 119.74 127.26 2jts s LYS 45 Ca 0.13 1.76 0.10 0.00 0.02 0.00 0.00 55.97 57.98 2jts s LYS 45 Cb -0.20 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2jts s LYS 45 CO -0.14 -0.04 -0.27 0.14 -0.92 0.00 0.00 175.35 174.12 2jts s VAL 46 N 0.09 2.20 0.13 3.17 -7.23 -0.30 -1.46 120.40 116.99 2jts s VAL 46 Ca 0.52 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 2jts s VAL 46 Cb -0.30 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2jts s VAL 46 CO 0.34 0.24 0.21 -0.72 -0.31 0.00 0.00 175.10 174.86 2jts s TYR 47 N -0.92 0.36 0.34 2.82 1.13 -1.18 -0.66 117.35 119.24 2jts s TYR 47 Ca 0.13 -0.76 -0.13 0.00 -1.41 0.00 0.00 57.07 54.90 2jts s TYR 47 Cb -0.10 -0.12 0.05 0.00 -1.10 0.00 0.00 41.96 40.70 2jts s TYR 47 CO 0.04 -0.62 0.69 0.00 -2.51 0.00 0.00 175.55 173.14 2jts s ASN 49 N -2.80 6.52 0.00 0.00 3.84 -1.26 -1.39 114.94 119.85 2jts s ASN 49 Ca 0.14 2.75 0.00 0.00 0.21 0.00 0.00 52.86 55.95 2jts s ASN 49 Cb -0.04 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 2jts s ASN 49 CO 0.10 -0.84 0.00 0.00 -2.79 0.00 0.00 177.10 173.57 2jts n ALA 50 N 3.18 0.00 -0.19 1.71 0.00 -1.26 -3.64 120.51 120.31 2jts n ALA 50 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2jts n ALA 50 Cb 0.38 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.95 2.34 0.33 0.00 0.00 -1.18 -4.45 105.19 101.28 2jts n GLY 51 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 1.98 -0.77 0.00 1.61 2.43 -1.89 -1.39 114.38 116.35 2jts h ARG 52 Ca 0.00 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2jts h ARG 52 Cb 0.00 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2jts h ARG 52 CO 0.00 -0.47 -0.22 1.96 -1.51 0.00 0.00 179.97 179.73 2jts h GLN 53 N -0.95 0.00 0.01 0.20 4.20 -1.90 0.72 115.11 117.38 2jts h GLN 53 Ca -0.08 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 2jts h GLN 53 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2jts h GLN 53 CO 0.13 0.22 -0.90 0.66 -0.67 0.00 0.00 178.83 178.28 2jts h SER 54 N 0.00 0.30 -0.43 1.46 4.64 -1.82 -0.74 113.55 116.95 2jts h SER 54 Ca -0.00 -0.24 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2jts h SER 54 Cb 0.41 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2jts h SER 54 CO 0.03 1.05 0.12 1.23 -0.87 0.00 0.00 176.83 178.39 2jts h GLY 55 N 1.77 0.54 0.94 -0.77 0.00 0.13 0.98 103.07 106.66 2jts h GLY 55 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2jts h GLY 55 CO 0.14 -0.01 0.15 1.46 0.00 0.00 0.00 176.54 178.28 2jts h GLN 56 N 0.27 0.43 -0.56 4.80 4.20 -0.84 -2.43 115.11 120.99 2jts h GLN 56 Ca 0.21 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2jts h GLN 56 Cb 0.23 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2jts h GLN 56 CO -0.24 0.40 0.37 0.00 -0.67 0.00 0.00 178.83 178.69 2jts h ALA 57 N 1.00 1.65 -0.38 3.87 0.00 -0.75 -2.32 119.26 122.32 2jts h ALA 57 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jts h ALA 57 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jts h ALA 57 CO -0.01 0.31 0.10 -0.22 0.00 0.00 0.00 179.25 179.43 2jts h LYS 58 N 0.71 0.61 -0.13 0.00 3.11 -0.32 0.58 116.57 121.13 2jts h LYS 58 Ca 0.21 -0.14 -0.11 0.00 -2.81 0.00 0.00 60.65 57.80 2jts h LYS 58 Cb -0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 2jts h LYS 58 CO -0.05 0.63 -0.42 1.05 -2.81 0.00 0.00 179.45 177.85 2jts h GLU 59 N 0.47 0.30 -0.04 1.90 4.11 -1.27 0.13 114.58 120.18 2jts h GLU 59 Ca 0.12 -0.15 0.01 0.00 0.07 0.00 0.00 59.36 59.41 2jts h GLU 59 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2jts h GLU 59 CO -0.00 0.67 -0.00 0.82 0.07 0.00 0.00 179.01 180.57 2jts h ILE 60 N 0.25 0.97 -0.07 -1.06 2.04 -0.99 -1.51 117.51 117.14 2jts h ILE 60 Ca 0.02 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 2jts h ILE 60 Cb 0.85 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2jts h ILE 60 CO 0.07 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.78 2jts h LEU 61 N 0.01 0.13 -0.74 1.44 3.38 -0.54 -0.18 115.31 118.82 2jts h LEU 61 Ca 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2jts h LEU 61 Cb 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2jts h LEU 61 CO -0.04 0.50 0.32 0.28 0.09 0.00 0.00 178.44 179.59 2jts h SER 62 N 0.11 1.00 -0.17 -0.43 0.02 -0.77 -0.88 113.55 112.44 2jts h SER 62 Ca 0.01 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2jts h SER 62 Cb 0.71 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2jts h SER 62 CO 0.05 0.88 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.32 2jts h GLU 63 N 1.05 0.62 0.00 3.45 4.57 -0.40 -1.56 114.58 122.31 2jts h GLU 63 Ca 0.25 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2jts h GLU 63 Cb 0.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2jts h GLU 63 CO -0.02 0.80 0.00 -1.33 -1.18 0.00 0.00 179.01 177.27 2jts n MET 64 N -4.12 0.11 -0.42 1.92 2.81 -0.16 -4.87 117.12 112.38 2jts n MET 64 Ca -0.00 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 2jts n MET 64 Cb 0.41 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 -0.29 0.78 3.77 3.03 0.00 -0.59 -5.06 105.19 106.83 2jts n GLY 65 Ca 0.05 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 2.69 0.00 1.61 1.51 -0.41 -4.89 117.35 115.86 2jts s TYR 66 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.58 2jts s TYR 66 Cb 0.00 -3.40 0.00 0.00 -0.11 0.00 0.00 41.96 38.45 2jts s TYR 66 CO 0.00 -1.74 0.00 -2.37 -1.11 0.00 0.00 175.55 170.33 2jts n THR 67 N -0.95 0.00 -2.15 -0.71 5.66 -0.92 -4.38 114.28 110.83 2jts n THR 67 Ca 0.10 -0.29 -0.03 0.00 -3.05 0.00 0.00 64.05 60.78 2jts n THR 67 Cb 0.49 0.98 0.09 0.00 -1.55 0.00 0.00 70.33 70.34 2jts n THR 67 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2jts n HIS 68 N -0.61 0.90 -2.73 1.09 8.25 -1.26 -5.05 115.22 115.82 2jts n HIS 68 Ca 0.00 -1.55 -0.38 0.00 -0.26 0.00 0.00 57.72 55.53 2jts n HIS 68 Cb 0.00 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 2jts n HIS 68 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2jts s VAL 69 N -2.89 4.07 -0.11 1.59 -7.23 -1.26 -1.38 120.40 113.19 2jts s VAL 69 Ca 0.38 1.82 -0.05 0.00 -1.81 0.00 0.00 61.98 62.32 2jts s VAL 69 Cb 0.38 -4.06 0.05 0.00 0.56 0.00 0.00 36.38 33.31 2jts s VAL 69 CO -0.06 0.24 0.26 -0.70 -0.31 0.00 0.00 175.10 174.53 2jts s GLU 70 N -1.82 0.21 -0.58 4.82 2.12 -0.55 -4.93 118.70 117.98 2jts s GLU 70 Ca 0.48 0.58 -0.28 0.00 0.36 0.00 0.00 54.97 56.11 2jts s GLU 70 Cb -0.22 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.08 2jts s GLU 70 CO 0.28 -0.18 1.40 1.21 -0.54 0.00 0.00 175.26 177.42 2jts s ASN 71 N 1.42 6.13 0.35 -1.70 2.47 -1.26 -1.15 114.94 121.20 2jts s ASN 71 Ca -0.08 0.21 0.14 0.00 0.42 0.00 0.00 52.86 53.54 2jts s ASN 71 Cb -0.10 -2.55 0.65 0.00 -1.45 0.00 0.00 41.25 37.80 2jts s ASN 71 CO -0.09 -1.72 1.76 0.00 -3.72 0.00 0.00 177.10 173.33 2jts h ALA 72 N 10.96 1.21 0.00 1.71 0.00 -1.26 -3.48 119.26 128.40 2jts h ALA 72 Ca -0.27 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2jts h ALA 72 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jts h ALA 72 CO 1.19 0.54 0.00 0.41 0.00 0.00 0.00 179.25 181.39 2jts n GLY 73 N -0.18 0.90 3.81 0.00 0.00 -1.26 -4.72 105.19 103.74 2jts n GLY 73 Ca -0.01 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 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 2.03 0.24 -0.02 0.00 -1.26 -3.44 107.32 104.86 2jts s GLY 74 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 2jts s GLY 74 CO 0.00 0.62 1.61 -2.00 0.00 0.00 0.00 173.10 173.33 2jts h LEU 75 N 0.24 -0.66 -1.67 0.66 5.85 -1.58 0.17 115.31 118.31 2jts h LEU 75 Ca -0.46 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2jts h LEU 75 Cb 1.21 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 2jts h LEU 75 CO 0.58 -0.24 -0.17 0.11 -0.34 0.00 0.00 178.44 178.37 2jts h LYS 76 N 0.01 0.00 0.00 1.25 6.56 -1.93 -3.03 116.57 119.43 2jts h LYS 76 Ca 0.37 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.77 2jts h LYS 76 Cb 0.58 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 2jts h LYS 76 CO -0.77 0.17 -1.04 0.22 -2.06 0.00 0.00 179.45 175.97 2jts h ASP 77 N 0.00 0.00 -2.20 0.86 3.58 -1.05 -3.45 116.42 114.16 2jts h ASP 77 Ca -0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2jts h ASP 77 Cb 0.45 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.52 2jts h ASP 77 CO 0.02 0.84 1.16 -0.38 -2.88 0.00 0.00 179.24 178.00 2jts n ILE 78 N -3.22 0.66 -1.49 2.25 -0.00 -0.95 -4.86 119.36 111.76 2jts n ILE 78 Ca -0.03 -0.12 -0.31 0.00 -0.00 0.00 0.00 62.75 62.29 2jts n ILE 78 Cb 0.90 -2.10 -0.06 0.00 -0.00 0.00 0.00 39.64 38.38 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 7.01 6.84 -2.44 -1.39 0.00 -1.26 -4.86 120.51 124.41 2jts n ALA 79 Ca 0.21 -3.22 -0.13 0.00 0.00 0.00 0.00 53.44 50.31 2jts n ALA 79 Cb 0.35 -2.69 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 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 0.03 0.79 0.85 0.00 -1.94 -1.26 -5.15 119.30 112.62 2jts s MET 80 Ca 0.62 -1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 53.31 2jts s MET 80 Cb 0.26 -0.37 0.03 0.00 2.01 0.00 0.00 34.83 36.75 2jts s MET 80 CO -0.10 0.04 0.63 -2.30 -0.01 0.00 0.00 175.02 173.28 2jts n PRO 81 N 0.49 -0.03 -4.12 2.03 -0.02 -1.26 -4.84 135.00 127.25 2jts n PRO 81 Ca -0.16 0.05 -0.20 0.00 -2.02 0.00 0.00 63.50 61.17 2jts n PRO 81 Cb 0.58 -1.98 -0.16 0.00 -0.02 0.00 0.00 33.50 31.92 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 -3.50 0.78 -0.07 -0.52 1.02 -1.26 -1.31 119.74 114.87 2jts s LYS 82 Ca 0.63 -0.08 -0.10 0.00 0.02 0.00 0.00 55.97 56.44 2jts s LYS 82 Cb -0.27 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.17 2jts s LYS 82 CO 0.61 -0.10 0.26 0.08 -0.92 0.00 0.00 175.35 175.28 2jts s VAL 83 N 0.99 5.30 0.76 3.17 1.01 -0.05 -4.86 120.40 126.71 2jts s VAL 83 Ca -0.10 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 2jts s VAL 83 Cb -0.14 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.76 2jts s VAL 83 CO -0.00 0.59 1.17 -1.59 0.00 0.00 0.00 175.10 175.27 2jts s LYS 84 N -0.99 2.03 0.00 2.72 -2.85 -1.26 -0.77 119.74 118.62 2jts s LYS 84 Ca 0.19 1.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.78 2jts s LYS 84 Cb -0.14 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 2jts s LYS 84 CO 0.08 -1.89 0.49 0.41 0.10 0.00 0.00 175.35 174.54