#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 0.38 -4.90 0.00 3.41 -1.26 -5.03 113.62 106.21 1noe n SER 1 Ca 0.00 0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 58.92 1noe n SER 1 Cb 0.00 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 62.49 1noe n SER 1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1noe s ALA 2 N -1.97 3.74 0.75 7.33 0.00 -1.26 -5.09 121.76 125.26 1noe s ALA 2 Ca 0.72 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1noe s ALA 2 Cb -0.32 -2.17 0.04 0.00 0.00 0.00 0.00 23.12 20.68 1noe s ALA 2 CO 0.52 0.52 1.08 -1.25 0.00 0.00 0.00 175.76 176.64 1noe s PRO 3 N -2.99 2.46 0.34 0.00 0.04 -1.26 -4.95 135.00 128.65 1noe s PRO 3 Ca 0.42 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1noe s PRO 3 Cb -0.11 -1.93 0.61 0.00 0.04 0.00 0.00 34.50 33.11 1noe s PRO 3 CO 0.26 -1.47 1.99 0.00 0.04 0.00 0.00 177.00 177.82 1noe h ALA 4 N -1.00 1.51 -0.07 8.56 0.00 -2.01 -3.29 119.26 122.96 1noe h ALA 4 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1noe h ALA 4 Cb 1.23 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1noe h ALA 4 CO 0.53 0.44 0.00 0.27 0.00 0.00 0.00 179.25 180.49 1noe n ASN 5 N -4.42 0.00 -0.66 0.00 6.94 -1.26 -4.92 115.26 110.94 1noe n ASN 5 Ca 0.06 0.55 -0.06 0.00 -0.02 0.00 0.00 54.58 55.11 1noe n ASN 5 Cb 0.06 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 36.96 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 -1.96 -0.09 -2.00 -2.53 0.00 -1.24 -3.35 120.51 109.33 1noe n ALA 6 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 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 -1.43 -8.83 -1.89 0.00 0.31 -1.03 -4.74 118.33 100.72 1noe n VAL 7 Ca -0.06 2.96 -0.42 0.00 -0.01 0.00 0.00 64.34 66.81 1noe n VAL 7 Cb 0.33 -4.23 -0.03 0.00 -0.91 0.00 0.00 33.84 29.00 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 -1.40 3.57 0.33 3.52 0.00 -1.21 -4.88 121.76 121.69 1noe s ALA 8 Ca 0.00 1.04 0.12 0.00 0.00 0.00 0.00 51.96 53.12 1noe s ALA 8 Cb 0.00 -3.79 0.96 0.00 0.00 0.00 0.00 23.12 20.28 1noe s ALA 8 CO 0.00 -1.51 1.72 0.00 0.00 0.00 0.00 175.76 175.97 1noe h ALA 9 N 10.06 1.87 -0.81 0.00 0.00 -1.91 0.71 119.26 129.18 1noe h ALA 9 Ca -0.42 0.14 -0.45 0.00 0.00 0.00 0.00 54.91 54.17 1noe h ALA 9 Cb 1.20 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.78 1noe h ALA 9 CO 0.95 -0.38 0.43 -3.47 0.00 0.00 0.00 179.25 176.78 1noe n ASP 10 N -4.90 3.97 -4.77 0.00 2.03 -1.26 -4.55 116.55 107.08 1noe n ASP 10 Ca 0.28 -3.69 -0.40 0.00 0.52 0.00 0.00 54.79 51.50 1noe n ASP 10 Cb 0.82 -0.79 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 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 -1.80 6.73 0.37 1.67 -1.08 0.24 -4.83 116.67 117.96 1noe s ASP 11 Ca 0.54 2.48 0.18 0.00 -0.52 0.00 0.00 52.55 55.24 1noe s ASP 11 Cb 0.46 -2.63 1.18 0.00 -1.46 0.00 0.00 42.92 40.48 1noe s ASP 11 CO 0.06 -0.55 1.65 0.00 0.52 0.00 0.00 175.17 176.86 1noe h ALA 12 N 3.12 2.14 -0.04 3.66 0.00 -1.94 0.38 119.26 126.58 1noe h ALA 12 Ca -0.48 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1noe h ALA 12 Cb 1.23 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1noe h ALA 12 CO 0.64 -0.77 0.00 1.15 0.00 0.00 0.00 179.25 180.28 1noe h THR 13 N 0.24 1.23 -0.27 0.00 2.02 -1.94 0.92 112.91 115.12 1noe h THR 13 Ca 0.76 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1noe h THR 13 Cb 1.90 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1noe h THR 13 CO -0.58 0.19 0.08 0.00 0.37 0.00 0.00 175.52 175.59 1noe h ALA 14 N 0.73 1.65 0.29 6.16 0.00 -0.67 -0.30 119.26 127.12 1noe h ALA 14 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1noe h ALA 14 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1noe h ALA 14 CO 0.00 0.27 -0.14 0.82 0.00 0.00 0.00 179.25 180.21 1noe h ILE 15 N 0.37 0.00 -0.52 0.00 2.04 -0.60 0.48 117.51 119.29 1noe h ILE 15 Ca 0.09 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.78 1noe h ILE 15 Cb 0.12 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.13 1noe h ILE 15 CO -0.01 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.25 1noe h ALA 16 N -1.56 0.59 -0.08 1.87 0.00 -0.66 -0.51 119.26 118.90 1noe h ALA 16 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1noe h ALA 16 Cb 0.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1noe h ALA 16 CO 0.06 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.29 1noe n LEU 17 N -5.11 1.21 -3.78 0.00 4.77 -0.14 -4.95 117.00 109.00 1noe n LEU 17 Ca 0.06 -0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 55.23 1noe n LEU 17 Cb 0.25 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1noe n LEU 17 CO 0.20 0.23 -0.10 0.29 -1.33 0.00 0.00 177.39 176.68 1noe n LYS 18 N -0.02 -1.02 -1.76 3.23 5.02 -0.20 -0.02 118.16 123.38 1noe n LYS 18 Ca 0.18 0.37 -0.40 0.00 -2.02 0.00 0.00 58.31 56.43 1noe n LYS 18 Cb 0.28 -3.76 0.02 0.00 -0.02 0.00 0.00 35.03 31.55 1noe n LYS 18 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1noe n TYR 19 N -4.39 2.70 -4.40 2.13 4.19 0.10 -3.42 117.16 114.07 1noe n TYR 19 Ca -0.10 0.44 -0.19 0.00 3.31 0.00 0.00 57.90 61.36 1noe n TYR 19 Cb 0.59 -2.46 -0.15 0.00 0.49 0.00 0.00 39.34 37.81 1noe n TYR 19 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1noe s ASN 20 N -0.48 1.14 0.39 2.98 2.47 -1.08 -4.91 114.94 115.46 1noe s ASN 20 Ca 0.61 -0.19 0.12 0.00 0.42 0.00 0.00 52.86 53.83 1noe s ASN 20 Cb -0.45 -0.12 0.81 0.00 -1.45 0.00 0.00 41.25 40.04 1noe s ASN 20 CO 0.57 0.11 1.89 -0.61 -3.72 0.00 0.00 177.10 175.34 1noe h GLN 21 N 5.87 0.05 -4.54 0.43 4.15 -1.88 -3.29 115.11 115.89 1noe h GLN 21 Ca -0.31 -0.01 -0.71 0.00 0.77 0.00 0.00 58.65 58.39 1noe h GLN 21 Cb 1.18 -0.01 -0.29 0.00 0.21 0.00 0.00 27.48 28.57 1noe h GLN 21 CO 0.49 0.32 -0.53 0.34 -1.93 0.00 0.00 178.83 177.53 1noe s ASP 22 N -6.95 5.49 0.50 -0.69 -1.08 -1.26 -3.59 116.67 109.09 1noe s ASP 22 Ca -0.04 -1.41 0.22 0.00 -0.52 0.00 0.00 52.55 50.81 1noe s ASP 22 Cb 0.15 -1.93 1.31 0.00 -1.46 0.00 0.00 42.92 40.99 1noe s ASP 22 CO 0.72 -0.46 2.06 0.00 0.52 0.00 0.00 175.17 178.02 1noe h ALA 23 N 8.30 1.50 -0.53 3.66 0.00 -0.57 0.20 119.26 131.83 1noe h ALA 23 Ca -0.22 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1noe h ALA 23 Cb 1.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1noe h ALA 23 CO 0.69 0.16 -0.07 1.79 0.00 0.00 0.00 179.25 181.82 1noe h THR 24 N 0.00 1.26 0.00 0.00 1.35 -1.88 -3.04 112.91 110.61 1noe h THR 24 Ca -0.00 -1.19 -0.07 0.00 -0.55 0.00 0.00 66.41 64.59 1noe h THR 24 Cb 0.28 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1noe h THR 24 CO 0.02 0.42 -0.65 0.11 -0.25 0.00 0.00 175.52 175.17 1noe h LYS 25 N 0.87 0.00 -6.35 4.72 1.57 -1.82 -3.48 116.57 112.08 1noe h LYS 25 Ca 0.15 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 1noe h LYS 25 Cb 0.60 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.07 1noe h LYS 25 CO 0.04 0.25 -0.48 0.45 -0.57 0.00 0.00 179.45 179.13 1noe n SER 26 N -3.03 -1.25 0.10 0.86 2.88 0.65 -4.86 113.62 108.97 1noe n SER 26 Ca -0.00 0.83 0.07 0.00 -1.33 0.00 0.00 58.87 58.43 1noe n SER 26 Cb 0.67 -1.10 0.35 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.50 0.08 -0.34 -1.46 0.00 -1.26 -3.67 120.64 114.50 1noe n GLU 27 Ca 0.11 0.58 0.16 0.00 0.00 0.00 0.00 57.16 58.00 1noe n GLU 27 Cb 0.43 -1.80 0.31 0.00 0.00 0.00 0.00 31.44 30.38 1noe n GLU 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1noe h ARG 28 N 0.00 0.01 -0.76 3.44 0.11 -1.89 0.30 114.38 115.60 1noe h ARG 28 Ca 0.00 -0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.25 1noe h ARG 28 Cb 0.04 -0.00 -0.14 0.00 1.11 0.00 0.00 29.97 30.98 1noe h ARG 28 CO 0.00 0.01 -0.07 0.28 0.10 0.00 0.00 179.97 180.29 1noe h VAL 29 N 0.01 0.30 0.13 0.08 2.07 -1.87 0.36 116.25 117.32 1noe h VAL 29 Ca 0.61 -0.02 -0.20 0.00 0.82 0.00 0.00 66.70 67.92 1noe h VAL 29 Cb 1.29 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1noe h VAL 29 CO -0.91 0.01 -0.90 0.00 0.02 0.00 0.00 177.57 175.79 1noe h ALA 30 N 1.73 -0.02 0.00 1.67 0.00 -0.81 -3.34 119.26 118.48 1noe h ALA 30 Ca 0.40 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1noe h ALA 30 Cb 0.68 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1noe h ALA 30 CO -0.71 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 178.90 1noe h ALA 31 N 0.04 1.57 -5.22 0.00 0.00 -0.36 -3.47 119.26 111.81 1noe h ALA 31 Ca -0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1noe h ALA 31 Cb 1.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1noe h ALA 31 CO 0.12 0.12 -0.47 0.00 0.00 0.00 0.00 179.25 179.02 1noe n ALA 32 N -2.40 -1.68 -1.34 0.00 0.00 0.12 -4.90 120.51 110.31 1noe n ALA 32 Ca -0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 1noe n ALA 32 Cb 0.18 -0.45 0.10 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.62 2.02 0.36 0.00 3.00 -1.26 -4.98 118.95 115.47 1noe s ARG 33 Ca 0.04 1.83 -0.06 0.00 0.00 0.00 0.00 55.73 57.55 1noe s ARG 33 Cb -0.00 -1.81 0.09 0.00 0.00 0.00 0.00 34.95 33.22 1noe s ARG 33 CO 0.37 -1.94 0.33 -0.35 0.00 0.00 0.00 175.30 173.70 1noe n PRO 34 N -2.77 -1.55 0.00 3.54 -0.04 -1.26 -4.41 135.00 128.51 1noe n PRO 34 Ca 0.14 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1noe n PRO 34 Cb 0.50 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 0.48 1.99 3.08 0.55 0.00 -1.26 -4.81 105.19 105.22 1noe n GLY 35 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 1.88 0.45 0.99 2.96 -1.26 -5.10 118.68 118.60 1noe s LEU 36 Ca 0.00 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.21 1noe s LEU 36 Cb 0.00 0.48 -0.08 0.00 0.50 0.00 0.00 46.19 47.09 1noe s LEU 36 CO 0.00 -0.43 1.12 -2.16 -1.32 0.00 0.00 176.35 173.56 1noe s PRO 37 N -2.11 3.85 0.30 0.98 0.04 -1.26 -4.76 135.00 132.03 1noe s PRO 37 Ca -0.09 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.65 1noe s PRO 37 Cb -0.04 -2.39 0.75 0.00 0.04 0.00 0.00 34.50 32.85 1noe s PRO 37 CO -0.02 -0.45 1.72 -1.00 0.04 0.00 0.00 177.00 177.29 1noe h PRO 38 N 2.08 0.51 -0.82 0.56 0.13 -1.86 0.55 132.00 133.15 1noe h PRO 38 Ca -0.49 -0.03 0.19 0.00 -0.87 0.00 0.00 66.00 64.80 1noe h PRO 38 Cb 1.24 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1noe h PRO 38 CO 0.60 0.34 0.56 1.05 -0.23 0.00 0.00 178.00 180.32 1noe h GLU 39 N 0.53 0.28 0.00 0.86 4.11 -1.91 0.17 114.58 118.62 1noe h GLU 39 Ca 0.57 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.89 1noe h GLU 39 Cb 1.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1noe h GLU 39 CO -0.47 0.19 -0.46 0.93 0.07 0.00 0.00 179.01 179.27 1noe h GLU 40 N 0.29 0.00 -6.62 1.06 5.08 -1.24 -3.47 114.58 109.69 1noe h GLU 40 Ca 0.41 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.25 1noe h GLU 40 Cb 1.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1noe h GLU 40 CO -0.11 0.46 0.56 -0.65 -1.00 0.00 0.00 179.01 178.26 1noe s GLN 41 N -3.02 4.48 -0.25 2.33 -0.21 0.60 -4.89 119.66 118.71 1noe s GLN 41 Ca 0.04 1.85 -0.37 0.00 0.02 0.00 0.00 55.36 56.89 1noe s GLN 41 Cb 0.08 -3.27 0.15 0.00 1.00 0.00 0.00 33.01 30.97 1noe s GLN 41 CO 0.73 -0.12 1.38 -3.38 -2.12 0.00 0.00 175.29 171.78 1noe s HIS 42 N 0.21 -0.02 0.32 0.91 -3.43 -1.26 -4.84 115.29 107.19 1noe s HIS 42 Ca 0.54 0.01 0.10 0.00 -0.80 0.00 0.00 55.06 54.91 1noe s HIS 42 Cb -0.32 0.50 0.96 0.00 -1.43 0.00 0.00 32.58 32.30 1noe s HIS 42 CO 0.35 -0.03 1.63 0.00 -2.00 0.00 0.00 174.74 174.69 1noe h ALA 44 N 1.87 3.10 -1.94 0.00 0.00 -1.16 -2.48 119.26 118.65 1noe h ALA 44 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1noe h ALA 44 Cb 1.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1noe h ALA 44 CO -0.69 -1.55 0.00 0.09 0.00 0.00 0.00 179.25 177.10 1noe n ASN 45 N -4.29 0.00 -2.52 0.00 3.02 0.10 -5.06 115.26 106.52 1noe n ASN 45 Ca 0.32 0.16 -0.01 0.00 -0.03 0.00 0.00 54.58 55.02 1noe n ASN 45 Cb 1.41 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 1noe n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1noe h GLN 47 N 2.35 -0.04 0.00 0.00 -0.00 -1.43 -2.99 115.11 113.00 1noe h GLN 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1noe h GLN 47 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.65 1noe h GLN 47 CO 0.10 -0.03 -0.65 1.19 0.00 0.00 0.00 178.83 179.44 1noe n PHE 48 N -5.41 0.14 -1.35 3.99 3.72 -1.26 -4.94 117.46 112.36 1noe n PHE 48 Ca 0.06 0.04 -0.53 0.00 -0.05 0.00 0.00 57.45 56.97 1noe n PHE 48 Cb 0.31 -0.34 -0.07 0.00 -0.94 0.00 0.00 39.48 38.44 1noe n PHE 48 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1noe n MET 49 N -1.69 0.00 -3.56 -1.08 0.00 -1.13 -4.34 117.12 105.32 1noe n MET 49 Ca 0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.33 1noe n MET 49 Cb 0.37 -1.35 -0.09 0.00 0.00 0.00 0.00 33.22 32.15 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 0.03 2.62 0.13 2.12 -0.21 0.08 -4.96 119.66 119.48 1noe s GLN 50 Ca 0.82 -1.52 -0.12 0.00 0.02 0.00 0.00 55.36 54.55 1noe s GLN 50 Cb -1.14 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 28.97 1noe s GLN 50 CO 0.51 -1.02 1.49 0.00 -2.12 0.00 0.00 175.29 174.15 1noe h ALA 51 N 8.46 0.57 0.00 6.09 0.00 -1.93 0.12 119.26 132.57 1noe h ALA 51 Ca -0.23 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1noe h ALA 51 Cb 1.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1noe h ALA 51 CO 0.80 0.57 -0.17 -0.40 0.00 0.00 0.00 179.25 180.05 1noe n ASP 52 N -4.17 3.99 -4.84 0.00 5.75 -1.26 -4.58 116.55 111.44 1noe n ASP 52 Ca -0.02 -2.24 -0.32 0.00 -0.01 0.00 0.00 54.79 52.20 1noe n ASP 52 Cb 0.47 -1.07 -0.06 0.00 -1.03 0.00 0.00 41.12 39.43 1noe n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1noe s ALA 53 N 1.44 3.20 -0.91 2.12 0.00 -1.25 -4.94 121.76 121.42 1noe s ALA 53 Ca 0.49 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 1noe s ALA 53 Cb 0.23 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 20.28 1noe s ALA 53 CO 0.00 0.14 2.23 0.00 0.00 0.00 0.00 175.76 178.13 1noe s ALA 54 N -2.19 0.85 0.00 0.00 0.00 -1.26 -0.98 121.76 118.18 1noe s ALA 54 Ca 0.57 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1noe s ALA 54 Cb -0.10 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.41 1noe s ALA 54 CO 0.20 -5.98 0.00 0.41 0.00 0.00 0.00 175.76 170.39 1noe n GLY 55 N 6.58 1.44 3.65 0.00 0.00 -1.26 -4.97 105.19 110.64 1noe n GLY 55 Ca 0.44 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.05 0.64 -2.15 4.61 0.00 -0.15 -5.00 120.51 117.42 1noe n ALA 56 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1noe n ALA 56 Cb 0.10 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1noe n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1noe n THR 57 N 0.09 0.00 0.04 0.00 5.66 -0.30 -4.98 114.28 114.80 1noe n THR 57 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1noe n THR 57 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1noe n THR 57 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1noe n ASP 58 N 0.00 0.13 -0.32 1.09 2.03 -1.26 -4.76 116.55 113.46 1noe n ASP 58 Ca 0.00 0.13 0.17 0.00 0.52 0.00 0.00 54.79 55.61 1noe n ASP 58 Cb 0.00 0.04 0.36 0.00 -0.72 0.00 0.00 41.12 40.80 1noe n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1noe h GLU 59 N 0.00 0.28 -4.85 -0.67 5.08 -2.00 -3.39 114.58 109.03 1noe h GLU 59 Ca 0.00 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 1noe h GLU 59 Cb 0.27 -0.06 -0.29 0.00 0.50 0.00 0.00 28.75 29.16 1noe h GLU 59 CO 0.00 0.19 -0.69 -1.58 -1.00 0.00 0.00 179.01 175.93 1noe s TRP 60 N -5.82 3.11 0.53 4.33 0.52 -1.26 -0.53 118.94 119.82 1noe s TRP 60 Ca -0.11 -1.33 0.02 0.00 0.02 0.00 0.00 56.10 54.70 1noe s TRP 60 Cb 0.27 -2.14 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1noe s TRP 60 CO 0.78 -0.67 0.14 0.15 0.02 0.00 0.00 176.95 177.37 1noe s LYS 61 N 1.39 2.22 0.44 4.98 3.01 -0.57 -1.14 119.74 130.07 1noe s LYS 61 Ca 0.01 -2.29 0.06 0.00 -1.01 0.00 0.00 55.97 52.74 1noe s LYS 61 Cb -0.17 -1.72 -0.04 0.00 -1.01 0.00 0.00 37.83 34.89 1noe s LYS 61 CO -0.01 -0.46 0.18 0.20 0.51 0.00 0.00 175.35 175.76 1noe s GLY 62 N -4.02 2.42 -0.03 -3.33 0.00 0.03 -0.27 107.32 102.11 1noe s GLY 62 Ca 0.14 -1.87 -0.08 0.00 0.00 0.00 0.00 44.72 42.91 1noe s GLY 62 CO 0.08 -1.96 0.18 0.00 0.00 0.00 0.00 173.10 171.41 1noe h GLN 64 N 4.81 0.33 0.11 0.00 3.07 -1.95 -3.30 115.11 118.20 1noe h GLN 64 Ca -0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.43 1noe h GLN 64 Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.68 1noe h GLN 64 CO 0.40 0.22 -0.06 -0.07 0.09 0.00 0.00 178.83 179.41 1noe h LEU 65 N 0.34 -0.13 -8.61 0.06 3.38 -1.97 -3.42 115.31 104.96 1noe h LEU 65 Ca 0.32 -0.33 -0.48 0.00 0.09 0.00 0.00 57.88 57.48 1noe h LEU 65 Cb 0.44 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1noe h LEU 65 CO -0.36 0.48 1.55 -0.36 0.09 0.00 0.00 178.44 179.84 1noe s PHE 66 N -2.63 1.23 -0.14 1.13 0.40 -1.24 -4.94 117.98 111.79 1noe s PHE 66 Ca -0.10 1.31 -0.21 0.00 -0.60 0.00 0.00 56.93 57.33 1noe s PHE 66 Cb -0.00 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.77 1noe s PHE 66 CO 0.35 -2.58 0.64 -1.25 0.70 0.00 0.00 175.22 173.07 1noe s PRO 67 N 7.82 4.31 -1.45 0.24 0.04 -1.26 -4.06 135.00 140.63 1noe s PRO 67 Ca 0.90 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 1noe s PRO 67 Cb -0.17 -3.51 0.03 0.00 0.04 0.00 0.00 34.50 30.89 1noe s PRO 67 CO 0.25 -0.08 0.55 0.41 0.04 0.00 0.00 177.00 178.18 1noe n GLY 68 N 3.46 -0.51 3.28 0.56 0.00 -1.26 -4.96 105.19 105.76 1noe n GLY 68 Ca -0.02 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.79 1.53 -0.02 1.61 1.02 -1.26 -5.01 119.74 111.82 1noe s LYS 69 Ca 0.33 -1.79 0.04 0.00 0.02 0.00 0.00 55.97 54.56 1noe s LYS 69 Cb -0.16 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1noe s LYS 69 CO 0.40 -0.56 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.63 1noe s LEU 70 N -3.25 1.95 -0.09 3.17 1.43 -1.26 -4.69 118.68 115.94 1noe s LEU 70 Ca 0.38 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1noe s LEU 70 Cb 0.04 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1noe s LEU 70 CO 0.20 0.14 0.08 0.27 0.23 0.00 0.00 176.35 177.27 1noe s ILE 71 N -0.13 4.93 0.18 -0.59 -0.00 0.62 -2.47 121.20 123.75 1noe s ILE 71 Ca 0.02 -0.07 -0.31 0.00 -0.00 0.00 0.00 60.65 60.29 1noe s ILE 71 Cb -0.07 -3.14 -0.10 0.00 -0.00 0.00 0.00 42.46 39.15 1noe s ILE 71 CO 0.00 0.57 1.51 0.21 -0.00 0.00 0.00 174.94 177.23 1noe s ASN 72 N -1.10 6.63 0.53 4.36 3.84 -1.26 -1.51 114.94 126.43 1noe s ASN 72 Ca 0.16 2.60 0.29 0.00 0.21 0.00 0.00 52.86 56.12 1noe s ASN 72 Cb -0.12 -2.60 1.45 0.00 -0.55 0.00 0.00 41.25 39.43 1noe s ASN 72 CO 0.05 -0.77 1.94 -0.37 -2.79 0.00 0.00 177.10 175.16 1noe h VAL 73 N 3.90 0.63 -0.92 -5.21 -1.51 -1.07 0.21 116.25 112.28 1noe h VAL 73 Ca -0.44 -0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.43 1noe h VAL 73 Cb 1.21 0.63 -0.30 0.00 -2.13 0.00 0.00 31.29 30.70 1noe h VAL 73 CO 0.87 0.00 0.52 0.59 -1.23 0.00 0.00 177.57 178.32 1noe n ASN 74 N -4.32 6.34 0.00 4.19 3.02 -1.26 -0.59 115.26 122.64 1noe n ASN 74 Ca 0.15 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.94 1noe n ASN 74 Cb 0.81 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1noe n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1noe n GLY 75 N -0.94 -0.11 0.00 7.41 0.00 0.73 -0.43 105.19 111.85 1noe n GLY 75 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1noe n GLY 75 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1noe n TRP 76 N -1.78 0.00 -4.05 1.61 -0.00 -1.24 -2.77 117.44 109.20 1noe n TRP 76 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 1noe n TRP 76 Cb 0.00 -0.09 -0.10 0.00 -0.00 0.00 0.00 31.31 31.11 1noe n TRP 76 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1noe s SER 77 N -0.73 0.40 -0.02 5.87 1.04 -1.26 -2.62 113.70 116.38 1noe s SER 77 Ca 0.00 -0.83 -0.30 0.00 0.48 0.00 0.00 55.95 55.30 1noe s SER 77 Cb 0.00 0.17 -0.07 0.00 0.10 0.00 0.00 66.02 66.23 1noe s SER 77 CO 0.00 -0.51 1.71 0.00 0.98 0.00 0.00 173.24 175.42 1noe s ALA 78 N -3.13 3.62 0.00 5.32 0.00 0.96 -1.13 121.76 127.41 1noe s ALA 78 Ca -0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1noe s ALA 78 Cb 0.02 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1noe s ALA 78 CO -0.07 -1.38 0.00 0.45 0.00 0.00 0.00 175.76 174.76 1noe n SER 79 N 6.95 -0.12 0.00 0.00 2.88 -1.26 -4.81 113.62 117.26 1noe n SER 79 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1noe n SER 79 Cb 0.42 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1noe n SER 79 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1noe n TRP 80 N -2.04 0.00 -1.31 0.66 -0.00 -0.28 -4.95 117.44 109.53 1noe n TRP 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1noe n TRP 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1noe n TRP 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1noe n THR 81 N -1.91 -6.96 -1.64 5.87 -1.04 -1.26 -4.19 114.28 103.17 1noe n THR 81 Ca 0.00 1.44 -0.47 0.00 -2.04 0.00 0.00 64.05 62.98 1noe n THR 81 Cb 0.00 -3.80 -0.03 0.00 -1.82 0.00 0.00 70.33 64.68 1noe n THR 81 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1noe n LEU 82 N 0.80 2.49 -4.57 -4.42 0.00 -1.26 -1.50 117.00 108.55 1noe n LEU 82 Ca 0.00 1.13 -0.30 0.00 0.00 0.00 0.00 56.01 56.85 1noe n LEU 82 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 43.42 42.03 1noe n LEU 82 CO 0.00 -0.77 1.44 -0.75 0.00 0.00 0.00 177.39 177.31 1noe s LYS 83 N -0.18 2.73 0.00 1.96 2.20 -1.26 -4.28 119.74 120.91 1noe s LYS 83 Ca 0.72 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1noe s LYS 83 Cb -0.74 -5.17 0.00 0.00 -1.51 0.00 0.00 37.83 30.41 1noe s LYS 83 CO 0.49 -3.36 0.00 0.00 -0.36 0.00 0.00 175.35 172.12 1noe n ALA 84 N 13.21 0.00 0.00 3.13 0.00 -1.26 -4.89 120.51 130.70 1noe n ALA 84 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1noe n ALA 84 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91