#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1noe n SER 1 N 0.00 0.07 -4.76 0.00 7.64 -1.26 -4.84 113.62 110.47 1noe n SER 1 Ca 0.00 0.05 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 1noe n SER 1 Cb 0.00 -0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.09 1noe n SER 1 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1noe s ALA 2 N 1.08 2.86 0.66 -0.43 0.00 -1.26 -5.00 121.76 119.68 1noe s ALA 2 Ca 0.18 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.13 1noe s ALA 2 Cb -0.19 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 1noe s ALA 2 CO 0.08 -1.03 1.08 -1.25 0.00 0.00 0.00 175.76 174.64 1noe s PRO 3 N -2.85 2.91 0.36 0.00 0.04 -1.26 -4.95 135.00 129.25 1noe s PRO 3 Ca 0.69 1.21 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1noe s PRO 3 Cb -0.34 -1.98 0.76 0.00 0.04 0.00 0.00 34.50 32.98 1noe s PRO 3 CO 0.40 -1.14 1.95 0.00 0.04 0.00 0.00 177.00 178.25 1noe h ALA 4 N -0.16 1.73 -0.35 8.56 0.00 -2.02 -3.22 119.26 123.80 1noe h ALA 4 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1noe h ALA 4 Cb 1.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1noe h ALA 4 CO 0.55 0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.21 1noe n ASN 5 N -4.49 0.00 0.00 0.00 6.94 -1.26 -4.92 115.26 111.53 1noe n ASN 5 Ca 0.12 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 55.22 1noe n ASN 5 Cb 0.27 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1noe n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1noe n ALA 6 N -1.82 0.00 -1.85 -2.53 0.00 -1.22 -3.82 120.51 109.26 1noe n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1noe n ALA 6 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1noe n ALA 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1noe n VAL 7 N -1.40 -5.34 -2.01 0.00 0.31 -0.97 -4.61 118.33 104.31 1noe n VAL 7 Ca 0.00 2.47 -0.41 0.00 -0.01 0.00 0.00 64.34 66.39 1noe n VAL 7 Cb 0.33 -3.23 -0.02 0.00 -0.91 0.00 0.00 33.84 30.01 1noe n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1noe s ALA 8 N -2.31 3.55 0.30 3.52 0.00 -1.25 -4.89 121.76 120.69 1noe s ALA 8 Ca 0.00 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.37 1noe s ALA 8 Cb 0.00 -3.53 0.75 0.00 0.00 0.00 0.00 23.12 20.34 1noe s ALA 8 CO 0.00 -0.77 1.77 0.00 0.00 0.00 0.00 175.76 176.77 1noe h ALA 9 N 3.72 1.67 -0.83 0.00 0.00 -1.92 -1.44 119.26 120.45 1noe h ALA 9 Ca -0.49 0.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.96 1noe h ALA 9 Cb 1.23 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.64 1noe h ALA 9 CO 0.68 -0.07 0.27 -3.47 0.00 0.00 0.00 179.25 176.67 1noe n ASP 10 N -4.78 5.65 -4.77 0.00 2.03 -1.26 -4.46 116.55 108.96 1noe n ASP 10 Ca 0.24 -3.76 -0.38 0.00 0.52 0.00 0.00 54.79 51.40 1noe n ASP 10 Cb 0.59 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 1noe n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1noe s ASP 11 N -2.31 6.81 0.23 1.67 -1.08 -0.54 -4.85 116.67 116.59 1noe s ASP 11 Ca 0.57 2.24 -0.09 0.00 -0.52 0.00 0.00 52.55 54.75 1noe s ASP 11 Cb 0.46 -2.61 0.35 0.00 -1.46 0.00 0.00 42.92 39.66 1noe s ASP 11 CO 0.02 -0.47 1.65 0.00 0.52 0.00 0.00 175.17 176.90 1noe h ALA 12 N 2.95 0.67 -0.67 3.66 0.00 -1.94 0.42 119.26 124.35 1noe h ALA 12 Ca -0.48 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1noe h ALA 12 Cb 1.22 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1noe h ALA 12 CO 0.64 -0.40 0.21 1.15 0.00 0.00 0.00 179.25 180.84 1noe h THR 13 N 0.11 1.25 -0.22 0.00 2.02 -1.91 -0.68 112.91 113.48 1noe h THR 13 Ca 0.36 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 1noe h THR 13 Cb 0.60 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1noe h THR 13 CO -0.58 0.33 -0.18 0.00 0.37 0.00 0.00 175.52 175.46 1noe h ALA 14 N 1.22 1.28 0.48 6.16 0.00 -0.58 0.31 119.26 128.14 1noe h ALA 14 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1noe h ALA 14 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1noe h ALA 14 CO -0.01 0.48 -0.23 0.82 0.00 0.00 0.00 179.25 180.31 1noe h ILE 15 N 0.35 0.00 -0.43 0.00 2.04 -0.47 0.60 117.51 119.61 1noe h ILE 15 Ca 0.06 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1noe h ILE 15 Cb 0.53 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 1noe h ILE 15 CO 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 1noe h ALA 16 N -1.46 0.29 -0.51 1.87 0.00 -0.96 -0.65 119.26 117.84 1noe h ALA 16 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1noe h ALA 16 Cb 0.50 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1noe h ALA 16 CO 0.11 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.19 1noe n LEU 17 N -5.31 3.00 -3.86 0.00 4.77 0.08 -4.96 117.00 110.72 1noe n LEU 17 Ca 0.03 -1.50 -0.25 0.00 -0.03 0.00 0.00 56.01 54.26 1noe n LEU 17 Cb 0.23 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1noe n LEU 17 CO 0.14 0.68 -0.18 0.29 -1.33 0.00 0.00 177.39 176.99 1noe n LYS 18 N 0.96 -3.55 -2.16 3.23 5.02 -0.25 -0.09 118.16 121.31 1noe n LYS 18 Ca 0.18 0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 56.63 1noe n LYS 18 Cb 0.50 -4.67 -0.05 0.00 -0.02 0.00 0.00 35.03 30.80 1noe n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1noe s TYR 19 N -3.84 2.01 -0.37 2.13 5.04 0.06 -3.67 117.35 118.71 1noe s TYR 19 Ca 0.04 0.24 -0.29 0.00 -2.44 0.00 0.00 57.07 54.62 1noe s TYR 19 Cb -0.01 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.12 1noe s TYR 19 CO 0.87 -1.65 1.50 1.21 -1.34 0.00 0.00 175.55 176.14 1noe s ASN 20 N 6.99 6.27 0.61 4.32 2.47 -1.26 -4.86 114.94 129.47 1noe s ASN 20 Ca 0.65 1.02 0.31 0.00 0.42 0.00 0.00 52.86 55.26 1noe s ASN 20 Cb -0.04 -2.54 1.81 0.00 -1.45 0.00 0.00 41.25 39.04 1noe s ASN 20 CO 0.02 -1.45 2.17 -0.61 -3.72 0.00 0.00 177.10 173.51 1noe h GLN 21 N 11.05 0.00 -4.09 0.43 -0.00 -1.91 -0.28 115.11 120.31 1noe h GLN 21 Ca -0.29 0.00 -0.75 0.00 -0.00 0.00 0.00 58.65 57.61 1noe h GLN 21 Cb 1.12 0.00 -0.26 0.00 0.00 0.00 0.00 27.48 28.34 1noe h GLN 21 CO 1.06 0.00 -0.23 0.34 0.00 0.00 0.00 178.83 180.01 1noe s ASP 22 N -5.72 6.10 0.16 -0.69 -1.08 -1.26 -3.17 116.67 111.01 1noe s ASP 22 Ca -0.05 -2.00 -0.15 0.00 -0.52 0.00 0.00 52.55 49.84 1noe s ASP 22 Cb 0.14 -2.14 0.04 0.00 -1.46 0.00 0.00 42.92 39.50 1noe s ASP 22 CO 0.51 -0.75 1.80 0.00 0.52 0.00 0.00 175.17 177.25 1noe h ALA 23 N 8.53 0.61 -0.87 3.66 0.00 -0.71 0.71 119.26 131.19 1noe h ALA 23 Ca -0.20 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1noe h ALA 23 Cb 1.08 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1noe h ALA 23 CO 0.94 0.09 0.42 1.79 0.00 0.00 0.00 179.25 182.48 1noe h THR 24 N 0.64 0.60 0.00 0.00 1.35 -1.93 -1.49 112.91 112.08 1noe h THR 24 Ca 0.17 -0.17 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 1noe h THR 24 Cb -0.02 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.43 1noe h THR 24 CO -0.03 0.09 -0.62 0.50 -0.25 0.00 0.00 175.52 175.21 1noe h LYS 25 N 0.51 0.00 -6.17 4.72 3.64 -1.86 -3.49 116.57 113.93 1noe h LYS 25 Ca 0.51 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 59.29 1noe h LYS 25 Cb 0.86 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 32.85 1noe h LYS 25 CO -0.45 0.55 -0.78 0.45 -2.27 0.00 0.00 179.45 176.96 1noe n SER 26 N -3.22 -2.29 0.09 4.20 2.88 0.20 -4.86 113.62 110.63 1noe n SER 26 Ca 0.01 0.78 0.06 0.00 -1.33 0.00 0.00 58.87 58.39 1noe n SER 26 Cb 0.77 -0.98 0.31 0.00 -0.75 0.00 0.00 64.21 63.55 1noe n SER 26 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1noe n GLU 27 N 0.95 0.07 -0.32 -1.46 0.00 -1.26 -3.40 120.64 115.23 1noe n GLU 27 Ca 0.10 0.55 0.07 0.00 0.00 0.00 0.00 57.16 57.89 1noe n GLU 27 Cb 0.43 -1.80 0.16 0.00 0.00 0.00 0.00 31.44 30.23 1noe n GLU 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1noe n ARG 28 N -1.89 -0.08 -0.30 3.44 1.85 -1.26 -0.37 116.66 118.06 1noe n ARG 28 Ca -0.01 1.39 0.11 0.00 -1.00 0.00 0.00 57.85 58.34 1noe n ARG 28 Cb 0.08 -2.10 0.28 0.00 -1.05 0.00 0.00 32.46 29.66 1noe n ARG 28 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1noe h VAL 29 N 0.00 0.51 0.06 8.89 2.07 -1.87 0.44 116.25 126.35 1noe h VAL 29 Ca 0.46 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.73 1noe h VAL 29 Cb 0.76 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1noe h VAL 29 CO -0.91 0.07 -0.50 0.00 0.02 0.00 0.00 177.57 176.26 1noe h ALA 30 N 1.68 0.01 0.00 1.67 0.00 -0.99 -3.37 119.26 118.26 1noe h ALA 30 Ca 0.53 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1noe h ALA 30 Cb 0.96 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1noe h ALA 30 CO -0.51 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1noe h ALA 31 N -0.02 1.00 -3.79 0.00 0.00 -0.06 -3.47 119.26 112.92 1noe h ALA 31 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1noe h ALA 31 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1noe h ALA 31 CO 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 1noe n ALA 32 N -1.88 -1.01 -1.20 0.00 0.00 0.15 -4.90 120.51 111.68 1noe n ALA 32 Ca 0.02 -0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1noe n ALA 32 Cb 0.26 -0.01 0.11 0.00 0.00 0.00 0.00 19.45 19.81 1noe n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1noe s ARG 33 N -1.20 1.88 0.00 0.00 3.00 -1.26 -4.96 118.95 116.40 1noe s ARG 33 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 55.73 57.40 1noe s ARG 33 Cb -0.00 -1.81 0.00 0.00 0.00 0.00 0.00 34.95 33.14 1noe s ARG 33 CO 0.01 -2.02 0.00 -0.35 0.00 0.00 0.00 175.30 172.94 1noe n PRO 34 N -3.13 0.05 0.00 3.54 -0.04 -1.26 -4.46 135.00 129.70 1noe n PRO 34 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1noe n PRO 34 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1noe n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1noe n GLY 35 N 3.26 1.77 3.18 0.55 0.00 -1.26 -4.78 105.19 107.91 1noe n GLY 35 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1noe n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1noe s LEU 36 N 0.00 1.10 0.58 0.99 2.96 -1.26 -5.07 118.68 117.97 1noe s LEU 36 Ca 0.00 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.79 1noe s LEU 36 Cb 0.00 1.03 -0.04 0.00 0.50 0.00 0.00 46.19 47.68 1noe s LEU 36 CO 0.00 -0.37 1.15 -2.16 -1.32 0.00 0.00 176.35 173.65 1noe s PRO 37 N -1.13 3.12 0.30 0.98 0.04 -1.26 -4.77 135.00 132.29 1noe s PRO 37 Ca -0.12 1.63 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1noe s PRO 37 Cb -0.06 -1.97 0.80 0.00 0.04 0.00 0.00 34.50 33.31 1noe s PRO 37 CO 0.03 -1.04 1.72 -1.00 0.04 0.00 0.00 177.00 176.75 1noe h PRO 38 N 0.87 0.51 -1.09 0.56 0.13 -1.85 0.97 132.00 132.10 1noe h PRO 38 Ca -0.49 -0.03 0.30 0.00 -0.87 0.00 0.00 66.00 64.90 1noe h PRO 38 Cb 1.27 -0.12 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1noe h PRO 38 CO 0.56 0.34 0.70 1.05 -0.23 0.00 0.00 178.00 180.42 1noe h GLU 39 N 0.53 0.31 -0.90 0.86 4.11 -1.91 0.16 114.58 117.74 1noe h GLU 39 Ca 0.60 -0.02 -0.61 0.00 0.07 0.00 0.00 59.36 59.40 1noe h GLU 39 Cb 1.11 -0.07 -0.31 0.00 0.50 0.00 0.00 28.75 29.97 1noe h GLU 39 CO -0.48 0.21 0.40 -1.91 0.07 0.00 0.00 179.01 177.30 1noe n GLU 40 N -4.63 2.83 -3.97 1.06 0.00 0.33 -4.88 120.64 111.38 1noe n GLU 40 Ca 0.27 -3.47 -0.34 0.00 0.00 0.00 0.00 57.16 53.62 1noe n GLU 40 Cb 0.99 -2.25 -0.15 0.00 0.00 0.00 0.00 31.44 30.03 1noe n GLU 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1noe s GLN 41 N -3.70 3.07 -0.07 5.31 -0.21 0.57 -4.79 119.66 119.84 1noe s GLN 41 Ca 0.60 -0.82 -0.29 0.00 0.02 0.00 0.00 55.36 54.87 1noe s GLN 41 Cb 0.48 -2.91 0.11 0.00 1.00 0.00 0.00 33.01 31.68 1noe s GLN 41 CO 0.01 -0.29 0.92 -3.38 -2.12 0.00 0.00 175.29 170.43 1noe s HIS 42 N 1.38 -0.37 0.35 0.91 -3.43 -1.26 -4.77 115.29 108.09 1noe s HIS 42 Ca 0.03 0.43 0.15 0.00 -0.80 0.00 0.00 55.06 54.87 1noe s HIS 42 Cb -0.15 0.50 1.08 0.00 -1.43 0.00 0.00 32.58 32.58 1noe s HIS 42 CO -0.06 -0.47 1.67 0.00 -2.00 0.00 0.00 174.74 173.88 1noe h ALA 44 N 1.82 3.11 -3.00 0.00 0.00 -0.79 -2.67 119.26 117.73 1noe h ALA 44 Ca 0.72 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1noe h ALA 44 Cb 1.66 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1noe h ALA 44 CO -0.57 -1.60 0.00 0.09 0.00 0.00 0.00 179.25 177.17 1noe n ASN 45 N -4.32 0.00 -1.80 0.00 3.02 -0.27 -5.04 115.26 106.85 1noe n ASN 45 Ca 0.34 0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.91 1noe n ASN 45 Cb 1.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.63 1noe n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1noe n GLN 47 N -0.89 0.41 0.00 0.00 7.27 0.21 -2.93 117.38 121.45 1noe n GLN 47 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1noe n GLN 47 Cb 0.35 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 31.92 1noe n GLN 47 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1noe n PHE 48 N -0.58 0.00 -1.08 3.69 3.72 -1.26 -4.99 117.46 116.97 1noe n PHE 48 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 1noe n PHE 48 Cb 0.01 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.65 1noe n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1noe n MET 49 N -0.14 0.08 -3.88 -1.08 0.00 -1.15 -4.55 117.12 106.40 1noe n MET 49 Ca 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 57.70 57.43 1noe n MET 49 Cb 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 33.22 31.12 1noe n MET 49 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1noe s GLN 50 N -3.34 3.19 0.05 3.17 -0.21 0.44 -4.96 119.66 118.00 1noe s GLN 50 Ca 0.64 -0.76 -0.20 0.00 0.02 0.00 0.00 55.36 55.06 1noe s GLN 50 Cb -0.29 -3.10 -0.13 0.00 1.00 0.00 0.00 33.01 30.49 1noe s GLN 50 CO 0.60 -0.30 1.39 0.00 -2.12 0.00 0.00 175.29 174.85 1noe h ALA 51 N 8.12 0.23 0.00 6.09 0.00 -1.91 0.80 119.26 132.59 1noe h ALA 51 Ca -0.37 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1noe h ALA 51 Cb 1.14 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1noe h ALA 51 CO 0.60 0.06 -0.13 -0.25 0.00 0.00 0.00 179.25 179.53 1noe n ASP 52 N -4.60 4.63 -4.87 0.00 9.92 -1.26 -4.46 116.55 115.92 1noe n ASP 52 Ca -0.06 -2.29 -0.31 0.00 -0.53 0.00 0.00 54.79 51.61 1noe n ASP 52 Cb 0.32 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 1noe n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1noe s ALA 53 N 0.71 3.12 -0.89 2.24 0.00 -1.26 -4.92 121.76 120.76 1noe s ALA 53 Ca 0.27 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 1noe s ALA 53 Cb 0.13 -3.05 -0.13 0.00 0.00 0.00 0.00 23.12 20.07 1noe s ALA 53 CO 0.00 -0.58 2.22 0.00 0.00 0.00 0.00 175.76 177.40 1noe s ALA 54 N -3.05 0.95 0.00 0.00 0.00 -1.26 -0.85 121.76 117.56 1noe s ALA 54 Ca 0.55 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1noe s ALA 54 Cb -0.11 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.41 1noe s ALA 54 CO 0.49 -5.78 0.00 0.41 0.00 0.00 0.00 175.76 170.89 1noe n GLY 55 N 6.66 1.36 3.67 0.00 0.00 -1.26 -4.88 105.19 110.74 1noe n GLY 55 Ca 0.44 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1noe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noe n ALA 56 N -1.00 0.64 -3.14 4.61 0.00 -0.03 -4.99 120.51 116.61 1noe n ALA 56 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1noe n ALA 56 Cb 0.20 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 1noe n ALA 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1noe s THR 57 N -1.48 0.04 0.18 0.00 -1.32 0.08 -4.98 115.64 108.17 1noe s THR 57 Ca 0.80 -0.77 -0.26 0.00 -1.21 0.00 0.00 61.69 60.26 1noe s THR 57 Cb -0.39 -1.46 0.05 0.00 -1.51 0.00 0.00 72.50 69.19 1noe s THR 57 CO 0.43 -0.20 1.55 0.44 -2.21 0.00 0.00 174.62 174.63 1noe h ASP 58 N 2.29 -1.77 0.07 8.08 5.19 -2.00 0.34 116.42 128.63 1noe h ASP 58 Ca -0.31 0.30 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 1noe h ASP 58 Cb 1.26 0.82 -0.01 0.00 0.18 0.00 0.00 39.33 41.58 1noe h ASP 58 CO 0.42 -0.28 -0.21 -0.33 -3.12 0.00 0.00 179.24 175.71 1noe h GLU 59 N -0.08 0.25 -4.48 3.56 5.08 -1.98 -3.43 114.58 113.51 1noe h GLU 59 Ca 0.22 -0.08 -0.64 0.00 -1.00 0.00 0.00 59.36 57.86 1noe h GLU 59 Cb 0.51 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.34 1noe h GLU 59 CO -0.88 0.46 -0.73 -1.58 -1.00 0.00 0.00 179.01 175.28 1noe s TRP 60 N -4.55 3.31 0.47 4.33 0.52 0.12 -0.42 118.94 122.72 1noe s TRP 60 Ca -0.05 -2.70 0.06 0.00 0.02 0.00 0.00 56.10 53.43 1noe s TRP 60 Cb 0.15 -2.61 -0.01 0.00 -1.15 0.00 0.00 33.47 29.85 1noe s TRP 60 CO 0.75 -0.93 0.27 0.15 0.02 0.00 0.00 176.95 177.21 1noe s LYS 61 N 1.06 2.28 0.18 4.98 3.01 -0.48 -0.74 119.74 130.03 1noe s LYS 61 Ca 0.09 -1.91 0.00 0.00 -1.01 0.00 0.00 55.97 53.15 1noe s LYS 61 Cb -0.19 -2.04 -0.04 0.00 -1.01 0.00 0.00 37.83 34.55 1noe s LYS 61 CO -0.11 -0.33 0.35 0.20 0.51 0.00 0.00 175.35 175.98 1noe s GLY 62 N -4.07 1.76 0.00 -3.33 0.00 0.27 0.22 107.32 102.17 1noe s GLY 62 Ca 0.36 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1noe s GLY 62 CO 0.21 -0.87 0.00 0.00 0.00 0.00 0.00 173.10 172.44 1noe n GLN 64 N 0.00 0.00 -0.89 0.00 7.27 -1.26 -1.77 117.38 120.73 1noe n GLN 64 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 1noe n GLN 64 Cb 0.00 0.00 0.26 0.00 2.41 0.00 0.00 30.24 32.91 1noe n GLN 64 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1noe n LEU 65 N -3.32 5.54 -3.40 1.69 -0.00 -1.26 -4.51 117.00 111.75 1noe n LEU 65 Ca 0.00 -2.88 -0.26 0.00 -0.00 0.00 0.00 56.01 52.87 1noe n LEU 65 Cb 0.00 -0.72 -0.08 0.00 -0.00 0.00 0.00 43.42 42.62 1noe n LEU 65 CO 0.00 0.74 -0.02 0.49 -0.00 0.00 0.00 177.39 178.61 1noe n PHE 66 N -0.09 2.69 -2.48 1.96 3.01 -1.26 -4.89 117.46 116.40 1noe n PHE 66 Ca 0.35 -4.02 -0.38 0.00 1.01 0.00 0.00 57.45 54.41 1noe n PHE 66 Cb 1.25 -0.50 -0.04 0.00 -0.01 0.00 0.00 39.48 40.18 1noe n PHE 66 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1noe s PRO 67 N -2.10 4.29 -1.84 -1.08 0.04 -1.26 -3.46 135.00 129.59 1noe s PRO 67 Ca 0.38 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1noe s PRO 67 Cb 0.14 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1noe s PRO 67 CO -0.04 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1noe n GLY 68 N 0.67 0.08 3.35 0.56 0.00 -1.26 -4.97 105.19 103.62 1noe n GLY 68 Ca 0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1noe n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1noe s LYS 69 N -4.72 1.51 -0.03 1.61 1.02 -1.22 -4.98 119.74 112.92 1noe s LYS 69 Ca 0.00 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.36 1noe s LYS 69 Cb 0.00 0.35 0.01 0.00 -0.52 0.00 0.00 37.83 37.67 1noe s LYS 69 CO 0.00 -0.56 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.29 1noe s LEU 70 N -3.18 1.68 0.06 3.17 1.43 -1.26 -4.72 118.68 115.85 1noe s LEU 70 Ca 0.34 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 1noe s LEU 70 Cb 0.03 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.75 1noe s LEU 70 CO 0.16 0.02 0.56 0.27 0.23 0.00 0.00 176.35 177.59 1noe s ILE 71 N 0.37 4.78 0.21 -0.59 -5.25 0.13 -2.29 121.20 118.56 1noe s ILE 71 Ca -0.05 1.19 -0.31 0.00 -0.99 0.00 0.00 60.65 60.50 1noe s ILE 71 Cb -0.09 -3.89 -0.10 0.00 2.95 0.00 0.00 42.46 41.33 1noe s ILE 71 CO 0.00 0.54 1.47 0.21 -1.79 0.00 0.00 174.94 175.37 1noe s ASN 72 N -1.00 6.65 0.53 4.36 3.84 -1.26 -1.39 114.94 126.68 1noe s ASN 72 Ca 0.29 2.61 0.25 0.00 0.21 0.00 0.00 52.86 56.22 1noe s ASN 72 Cb -0.19 -2.61 1.40 0.00 -0.55 0.00 0.00 41.25 39.30 1noe s ASN 72 CO 0.18 -0.73 2.00 -0.37 -2.79 0.00 0.00 177.10 175.40 1noe h VAL 73 N 3.75 0.73 -0.92 -5.21 -1.51 -1.04 0.29 116.25 112.34 1noe h VAL 73 Ca -0.45 0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 64.53 1noe h VAL 73 Cb 1.21 0.75 -0.28 0.00 -2.13 0.00 0.00 31.29 30.84 1noe h VAL 73 CO 0.83 0.00 0.63 0.59 -1.23 0.00 0.00 177.57 178.38 1noe n ASN 74 N -4.34 4.04 -4.98 4.19 3.02 -1.26 -0.12 115.26 115.81 1noe n ASN 74 Ca 0.09 -3.50 -0.19 0.00 -0.03 0.00 0.00 54.58 50.95 1noe n ASN 74 Cb 0.57 -0.83 0.01 0.00 -0.61 0.00 0.00 39.78 38.92 1noe n ASN 74 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1noe s GLY 75 N -1.16 1.97 0.00 7.41 0.00 0.10 -0.20 107.32 115.45 1noe s GLY 75 Ca 0.53 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1noe s GLY 75 CO 0.09 -1.58 0.00 1.87 0.00 0.00 0.00 173.10 173.48 1noe n TRP 76 N -1.84 0.00 0.00 1.90 -0.00 -0.12 -0.43 117.44 116.96 1noe n TRP 76 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1noe n TRP 76 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.91 1noe n TRP 76 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1noe n SER 77 N 0.00 0.00 -4.68 5.87 3.41 -1.24 -4.41 113.62 112.56 1noe n SER 77 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1noe n SER 77 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1noe n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1noe s ALA 78 N -0.60 3.63 0.00 7.33 0.00 0.86 -1.77 121.76 131.22 1noe s ALA 78 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1noe s ALA 78 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1noe s ALA 78 CO 0.00 -1.09 0.00 0.43 0.00 0.00 0.00 175.76 175.10 1noe n SER 79 N 5.84 -1.33 -4.53 0.00 7.64 -1.26 -4.77 113.62 115.22 1noe n SER 79 Ca 0.15 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.58 1noe n SER 79 Cb 0.42 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1noe n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1noe n TRP 80 N -2.44 0.66 -4.42 1.43 -0.00 -0.73 -5.02 117.44 106.92 1noe n TRP 80 Ca 0.00 0.76 -0.24 0.00 -0.00 0.00 0.00 57.50 58.02 1noe n TRP 80 Cb 0.00 -2.15 -0.17 0.00 -0.00 0.00 0.00 31.31 28.99 1noe n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1noe s THR 81 N -1.09 0.98 -0.07 5.87 2.01 -1.26 -5.04 115.64 117.04 1noe s THR 81 Ca 0.60 -0.38 -0.34 0.00 0.31 0.00 0.00 61.69 61.88 1noe s THR 81 Cb -0.75 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 70.72 1noe s THR 81 CO 0.59 0.33 1.85 -0.11 -0.69 0.00 0.00 174.62 176.58 1noe n LEU 82 N 3.98 3.38 -4.57 4.42 -0.00 -1.26 -0.62 117.00 122.33 1noe n LEU 82 Ca -0.22 0.99 -0.16 0.00 -0.00 0.00 0.00 56.01 56.62 1noe n LEU 82 Cb 0.51 -1.37 -0.08 0.00 -0.00 0.00 0.00 43.42 42.49 1noe n LEU 82 CO 0.24 -0.09 1.20 -0.75 -0.00 0.00 0.00 177.39 177.99 1noe s LYS 83 N 3.76 1.61 0.00 1.96 2.20 -1.26 -4.37 119.74 123.64 1noe s LYS 83 Ca 0.92 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1noe s LYS 83 Cb -0.71 -4.89 0.00 0.00 -1.51 0.00 0.00 37.83 30.73 1noe s LYS 83 CO 0.51 -4.62 0.00 0.00 -0.36 0.00 0.00 175.35 170.88 1noe n ALA 84 N 18.33 0.00 -1.70 3.13 0.00 -1.26 -4.92 120.51 134.09 1noe n ALA 84 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1noe n ALA 84 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91