#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 -3.54 -4.03 0.00 2.88 -1.26 -5.08 113.62 102.59 1noe n SER 1 Ca 0.00 -0.61 -0.13 0.00 -1.33 0.00 0.00 58.87 56.80 1noe n SER 1 Cb 0.00 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 62.64 1noe n SER 1 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1noe s ALA 2 N -2.08 0.48 0.71 -1.46 0.00 -1.26 -5.11 121.76 113.04 1noe s ALA 2 Ca 0.47 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1noe s ALA 2 Cb -0.08 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1noe s ALA 2 CO 0.39 -0.01 1.07 -1.25 0.00 0.00 0.00 175.76 175.97 1noe s PRO 3 N -1.23 2.74 0.34 0.00 0.04 -1.26 -4.95 135.00 130.67 1noe s PRO 3 Ca -0.08 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.07 1noe s PRO 3 Cb -0.08 -1.96 0.62 0.00 0.04 0.00 0.00 34.50 33.11 1noe s PRO 3 CO 0.00 -1.26 1.97 0.00 0.04 0.00 0.00 177.00 177.75 1noe h ALA 4 N -0.68 1.56 0.03 8.56 0.00 -2.02 -3.20 119.26 123.52 1noe h ALA 4 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1noe h ALA 4 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1noe h ALA 4 CO 0.55 0.36 -0.01 -2.95 0.00 0.00 0.00 179.25 177.20 1noe h ASN 5 N 0.90 -0.03 0.00 0.00 -1.07 -1.95 -3.47 115.58 109.96 1noe h ASN 5 Ca 0.29 -0.68 0.00 0.00 0.07 0.00 0.00 56.30 55.98 1noe h ASN 5 Cb 0.05 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 1noe h ASN 5 CO -0.08 0.73 0.00 0.00 0.07 0.00 0.00 177.43 178.15 1noe n ALA 6 N -2.56 0.00 -1.82 4.14 0.00 -1.21 -3.77 120.51 115.30 1noe n ALA 6 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1noe n ALA 6 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 0.42 -6.99 -2.05 0.00 0.31 -0.89 -4.57 118.33 104.56 1noe n VAL 7 Ca 0.00 1.80 -0.38 0.00 -0.01 0.00 0.00 64.34 65.74 1noe n VAL 7 Cb 0.00 -3.08 0.00 0.00 -0.91 0.00 0.00 33.84 29.85 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 -0.31 3.07 0.21 3.52 0.00 -1.25 -4.90 121.76 122.11 1noe s ALA 8 Ca 0.00 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 1noe s ALA 8 Cb 0.00 -3.48 0.29 0.00 0.00 0.00 0.00 23.12 19.93 1noe s ALA 8 CO 0.00 -0.90 1.77 0.00 0.00 0.00 0.00 175.76 176.62 1noe h ALA 9 N 2.20 0.87 -0.29 0.00 0.00 -1.91 -2.41 119.26 117.72 1noe h ALA 9 Ca -0.50 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1noe h ALA 9 Cb 1.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1noe h ALA 9 CO 0.61 -0.10 0.04 -0.25 0.00 0.00 0.00 179.25 179.54 1noe n ASP 10 N -4.91 3.23 -4.75 0.00 9.92 -1.26 -3.76 116.55 115.02 1noe n ASP 10 Ca 0.09 -2.48 -0.41 0.00 -0.53 0.00 0.00 54.79 51.47 1noe n ASP 10 Cb 0.25 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.10 1noe n ASP 10 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1noe s ASP 11 N -0.32 7.15 0.24 -2.24 1.01 -0.91 -4.85 116.67 116.75 1noe s ASP 11 Ca 0.26 2.25 -0.07 0.00 0.71 0.00 0.00 52.55 55.70 1noe s ASP 11 Cb 0.20 -2.62 0.43 0.00 1.01 0.00 0.00 42.92 41.95 1noe s ASP 11 CO 0.07 -0.29 1.65 0.00 0.21 0.00 0.00 175.17 176.81 1noe h ALA 12 N 4.67 0.81 -0.71 5.23 0.00 -1.91 0.49 119.26 127.85 1noe h ALA 12 Ca -0.45 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1noe h ALA 12 Cb 1.21 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1noe h ALA 12 CO 0.71 -0.41 0.43 1.15 0.00 0.00 0.00 179.25 181.13 1noe h THR 13 N 0.14 1.20 -0.28 0.00 2.02 -1.95 -0.55 112.91 113.50 1noe h THR 13 Ca 0.41 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1noe h THR 13 Cb 0.71 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1noe h THR 13 CO -0.62 0.21 -0.11 0.00 0.37 0.00 0.00 175.52 175.37 1noe h ALA 14 N 1.22 1.30 0.41 6.16 0.00 -0.40 0.39 119.26 128.34 1noe h ALA 14 Ca 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1noe h ALA 14 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1noe h ALA 14 CO -0.05 0.47 -0.20 0.82 0.00 0.00 0.00 179.25 180.29 1noe h ILE 15 N 0.43 0.51 -0.10 0.00 2.04 -0.40 0.13 117.51 120.11 1noe h ILE 15 Ca 0.08 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1noe h ILE 15 Cb 0.46 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1noe h ILE 15 CO 0.03 0.08 -0.24 0.00 0.00 0.00 0.00 178.15 178.02 1noe h ALA 16 N -0.47 -0.24 0.00 1.87 0.00 -0.90 -1.46 119.26 118.06 1noe h ALA 16 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1noe h ALA 16 Cb 0.56 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1noe h ALA 16 CO 0.09 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.92 1noe n LEU 17 N -5.36 0.32 -3.59 0.00 7.99 0.11 -4.92 117.00 111.55 1noe n LEU 17 Ca -0.03 0.55 -0.20 0.00 -0.01 0.00 0.00 56.01 56.32 1noe n LEU 17 Cb 0.28 -0.48 0.06 0.00 -0.11 0.00 0.00 43.42 43.17 1noe n LEU 17 CO 0.19 -0.22 0.05 0.29 -1.51 0.00 0.00 177.39 176.19 1noe n LYS 18 N -1.82 -6.01 -2.08 3.23 5.02 0.16 -0.13 118.16 116.54 1noe n LYS 18 Ca 0.05 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 1noe n LYS 18 Cb 0.29 -5.57 -0.03 0.00 -0.02 0.00 0.00 35.03 29.70 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 -3.47 1.88 -0.32 2.13 5.04 0.21 -3.90 117.35 118.91 1noe s TYR 19 Ca 0.10 0.67 -0.15 0.00 -2.44 0.00 0.00 57.07 55.25 1noe s TYR 19 Cb -0.05 -4.16 -0.02 0.00 0.35 0.00 0.00 41.96 38.09 1noe s TYR 19 CO 0.77 -2.62 0.36 1.21 -1.34 0.00 0.00 175.55 173.93 1noe s ASN 20 N 6.15 6.19 0.38 4.32 2.47 0.36 -4.83 114.94 129.98 1noe s ASN 20 Ca 0.73 -0.11 0.14 0.00 0.42 0.00 0.00 52.86 54.04 1noe s ASN 20 Cb -0.18 -2.20 0.98 0.00 -1.45 0.00 0.00 41.25 38.40 1noe s ASN 20 CO 0.30 -0.30 1.82 -0.61 -3.72 0.00 0.00 177.10 174.60 1noe h GLN 21 N 8.40 0.50 -4.38 0.43 4.15 -1.92 -0.56 115.11 121.74 1noe h GLN 21 Ca -0.30 -0.03 -0.73 0.00 0.77 0.00 0.00 58.65 58.35 1noe h GLN 21 Cb 1.15 -0.11 -0.22 0.00 0.21 0.00 0.00 27.48 28.51 1noe h GLN 21 CO 0.68 0.33 -0.24 0.34 -1.93 0.00 0.00 178.83 178.01 1noe s ASP 22 N -5.53 6.17 0.48 -0.69 -1.08 -1.26 -2.67 116.67 112.08 1noe s ASP 22 Ca -0.09 -1.34 0.17 0.00 -0.52 0.00 0.00 52.55 50.77 1noe s ASP 22 Cb 0.24 -2.21 1.16 0.00 -1.46 0.00 0.00 42.92 40.65 1noe s ASP 22 CO 0.79 -0.73 2.06 0.00 0.52 0.00 0.00 175.17 177.81 1noe h ALA 23 N 8.82 1.75 -0.60 3.66 0.00 -1.21 0.47 119.26 132.15 1noe h ALA 23 Ca -0.29 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1noe h ALA 23 Cb 1.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1noe h ALA 23 CO 0.92 0.14 0.02 1.79 0.00 0.00 0.00 179.25 182.12 1noe h THR 24 N 0.00 1.26 0.00 0.00 1.35 -1.93 -2.80 112.91 110.80 1noe h THR 24 Ca -0.00 -1.12 -0.11 0.00 -0.55 0.00 0.00 66.41 64.64 1noe h THR 24 Cb 0.21 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 67.41 1noe h THR 24 CO 0.01 0.41 -0.51 0.11 -0.25 0.00 0.00 175.52 175.29 1noe h LYS 25 N 0.95 0.00 -6.17 4.72 1.57 -1.90 -3.48 116.57 112.25 1noe h LYS 25 Ca 0.17 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.33 1noe h LYS 25 Cb 0.53 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.98 1noe h LYS 25 CO 0.03 0.51 -0.60 0.45 -0.57 0.00 0.00 179.45 179.26 1noe n SER 26 N -3.26 -1.58 0.14 0.86 2.88 0.13 -4.85 113.62 107.94 1noe n SER 26 Ca 0.02 0.91 0.08 0.00 -1.33 0.00 0.00 58.87 58.55 1noe n SER 26 Cb 0.72 -1.01 0.43 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.92 0.10 -0.34 -1.46 0.00 -1.26 -3.45 120.64 115.15 1noe n GLU 27 Ca 0.12 0.59 0.11 0.00 0.00 0.00 0.00 57.16 57.98 1noe n GLU 27 Cb 0.38 -1.94 0.23 0.00 0.00 0.00 0.00 31.44 30.10 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 -2.07 -0.08 -0.21 3.44 1.85 -1.26 -0.43 116.66 117.89 1noe n ARG 28 Ca -0.01 1.49 0.01 0.00 -1.00 0.00 0.00 57.85 58.35 1noe n ARG 28 Cb 0.13 -2.31 0.12 0.00 -1.05 0.00 0.00 32.46 29.34 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 0.66 -0.00 8.89 2.07 -1.87 0.25 116.25 126.25 1noe h VAL 29 Ca 0.54 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.80 1noe h VAL 29 Cb 1.02 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1noe h VAL 29 CO -0.96 0.06 -0.63 0.00 0.02 0.00 0.00 177.57 176.06 1noe h ALA 30 N 1.48 0.08 -0.32 1.67 0.00 -1.03 -3.34 119.26 117.81 1noe h ALA 30 Ca 0.33 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1noe h ALA 30 Cb 0.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1noe h ALA 30 CO -0.39 0.38 0.18 0.00 0.00 0.00 0.00 179.25 179.42 1noe h ALA 31 N 0.33 0.41 -6.26 0.00 0.00 -0.40 -3.48 119.26 109.85 1noe h ALA 31 Ca -0.08 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1noe h ALA 31 Cb 1.34 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1noe h ALA 31 CO 0.12 -0.08 -0.90 0.00 0.00 0.00 0.00 179.25 178.40 1noe n ALA 32 N -2.22 -2.61 -1.49 0.00 0.00 0.85 -4.97 120.51 110.07 1noe n ALA 32 Ca -0.01 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 1noe n ALA 32 Cb 0.07 -1.89 0.07 0.00 0.00 0.00 0.00 19.45 17.70 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 -3.37 2.41 0.00 0.00 3.00 -1.26 -4.98 118.95 114.75 1noe s ARG 33 Ca 0.19 1.77 0.00 0.00 0.00 0.00 0.00 55.73 57.69 1noe s ARG 33 Cb -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 34.95 33.06 1noe s ARG 33 CO 0.85 -1.63 0.00 -0.35 0.00 0.00 0.00 175.30 174.17 1noe n PRO 34 N -2.38 0.49 0.00 3.54 -0.04 -1.26 -4.49 135.00 130.86 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 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 3.54 1.79 3.09 0.55 0.00 -1.26 -4.76 105.19 108.14 1noe n GLY 35 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 1.68 0.58 0.99 2.96 -1.26 -5.07 118.68 118.56 1noe s LEU 36 Ca 0.00 -0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 1noe s LEU 36 Cb 0.00 0.59 -0.04 0.00 0.50 0.00 0.00 46.19 47.24 1noe s LEU 36 CO 0.00 -0.38 1.17 -2.16 -1.32 0.00 0.00 176.35 173.65 1noe s PRO 37 N -1.59 3.09 0.30 0.98 0.04 -1.26 -4.78 135.00 131.78 1noe s PRO 37 Ca -0.13 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.65 1noe s PRO 37 Cb -0.07 -1.96 0.75 0.00 0.04 0.00 0.00 34.50 33.26 1noe s PRO 37 CO 0.00 -1.08 1.72 -1.00 0.04 0.00 0.00 177.00 176.69 1noe h PRO 38 N 0.91 0.50 -0.71 0.56 0.13 -1.86 0.14 132.00 131.67 1noe h PRO 38 Ca -0.50 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 64.75 1noe h PRO 38 Cb 1.28 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1noe h PRO 38 CO 0.56 0.33 0.48 0.93 -0.23 0.00 0.00 178.00 180.06 1noe h GLU 39 N 0.51 0.32 -0.97 0.86 3.07 -1.92 0.11 114.58 116.57 1noe h GLU 39 Ca 0.57 -0.02 -0.46 0.00 -0.50 0.00 0.00 59.36 58.96 1noe h GLU 39 Cb 1.04 -0.07 -0.27 0.00 -0.84 0.00 0.00 28.75 28.61 1noe h GLU 39 CO -0.48 0.21 0.58 0.39 -1.40 0.00 0.00 179.01 178.31 1noe n GLU 40 N -4.45 2.40 -4.83 2.33 1.02 0.50 -4.89 120.64 112.71 1noe n GLU 40 Ca 0.13 -2.88 -0.33 0.00 -0.02 0.00 0.00 57.16 54.06 1noe n GLU 40 Cb 0.55 -2.14 -0.14 0.00 -0.02 0.00 0.00 31.44 29.69 1noe n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1noe s GLN 41 N -3.11 3.22 0.19 3.49 -0.21 0.39 -4.82 119.66 118.81 1noe s GLN 41 Ca 0.54 -0.70 -0.23 0.00 0.02 0.00 0.00 55.36 54.98 1noe s GLN 41 Cb 0.45 -2.56 0.05 0.00 1.00 0.00 0.00 33.01 31.95 1noe s GLN 41 CO 0.11 0.27 0.80 -3.38 -2.12 0.00 0.00 175.29 170.97 1noe s HIS 42 N 0.18 -0.24 0.31 0.91 -3.43 -1.26 -4.86 115.29 106.89 1noe s HIS 42 Ca -0.08 -0.09 0.07 0.00 -0.80 0.00 0.00 55.06 54.16 1noe s HIS 42 Cb -0.15 0.64 0.79 0.00 -1.43 0.00 0.00 32.58 32.44 1noe s HIS 42 CO 0.05 -0.97 1.75 0.00 -2.00 0.00 0.00 174.74 173.57 1noe h ALA 44 N 1.69 2.33 -0.44 0.00 0.00 -1.16 0.09 119.26 121.77 1noe h ALA 44 Ca 0.60 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1noe h ALA 44 Cb 1.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1noe h ALA 44 CO -0.44 -0.76 0.00 0.09 0.00 0.00 0.00 179.25 178.15 1noe n ASN 45 N -4.62 3.33 -4.75 0.00 3.02 0.65 -4.99 115.26 107.91 1noe n ASN 45 Ca 0.27 -1.97 -0.39 0.00 -0.03 0.00 0.00 54.58 52.45 1noe n ASN 45 Cb 0.96 -0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.79 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 5.66 0.08 -0.00 0.00 -0.00 -0.90 -2.54 115.11 117.41 1noe h GLN 47 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1noe h GLN 47 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.67 1noe h GLN 47 CO 0.70 0.05 -0.04 1.19 0.00 0.00 0.00 178.83 180.74 1noe n PHE 48 N -5.24 0.00 -1.99 3.99 3.72 -1.26 -4.86 117.46 111.82 1noe n PHE 48 Ca 0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 1noe n PHE 48 Cb 0.24 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 1noe n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1noe s MET 49 N -2.62 4.25 0.17 -1.08 -2.45 -0.96 -2.41 119.30 114.20 1noe s MET 49 Ca 0.26 2.34 0.10 0.00 -1.25 0.00 0.00 55.69 57.14 1noe s MET 49 Cb 0.20 -3.09 -0.04 0.00 1.25 0.00 0.00 34.83 33.15 1noe s MET 49 CO 0.48 -0.43 -0.17 -0.65 1.05 0.00 0.00 175.02 175.30 1noe s GLN 50 N -0.58 1.78 -0.18 4.11 -0.21 0.25 -4.93 119.66 119.91 1noe s GLN 50 Ca 0.59 -1.35 0.07 0.00 0.02 0.00 0.00 55.36 54.68 1noe s GLN 50 Cb -0.43 -2.02 -0.15 0.00 1.00 0.00 0.00 33.01 31.41 1noe s GLN 50 CO 0.45 0.43 -0.07 0.00 -2.12 0.00 0.00 175.29 173.98 1noe n ALA 51 N 0.29 1.60 -0.66 6.09 0.00 -1.26 -1.75 120.51 124.82 1noe n ALA 51 Ca -0.13 -0.91 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 1noe n ALA 51 Cb 0.55 -0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1noe n ALA 51 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1noe n ASP 52 N -2.85 3.60 -4.84 0.00 5.75 -1.26 -4.63 116.55 112.32 1noe n ASP 52 Ca -0.30 -2.16 -0.36 0.00 -0.01 0.00 0.00 54.79 51.96 1noe n ASP 52 Cb 0.92 -0.96 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.55 3.59 -1.13 2.12 0.00 -1.26 -4.97 121.76 121.67 1noe s ALA 53 Ca 0.43 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.04 1noe s ALA 53 Cb 0.20 -2.53 -0.14 0.00 0.00 0.00 0.00 23.12 20.65 1noe s ALA 53 CO 0.00 0.45 2.02 0.00 0.00 0.00 0.00 175.76 178.22 1noe s ALA 54 N -1.38 1.27 0.00 0.00 0.00 -1.26 -0.99 121.76 119.40 1noe s ALA 54 Ca 0.35 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1noe s ALA 54 Cb -0.16 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.28 1noe s ALA 54 CO 0.19 -5.87 0.00 0.41 0.00 0.00 0.00 175.76 170.49 1noe n GLY 55 N 6.00 1.76 3.64 0.00 0.00 -1.26 -4.84 105.19 110.49 1noe n GLY 55 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.63 0.49 -2.75 4.61 0.00 -0.16 -5.01 120.51 117.06 1noe n ALA 56 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1noe n ALA 56 Cb 0.00 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.24 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 -1.37 0.00 0.06 0.00 -1.32 0.14 -5.02 115.64 108.13 1noe s THR 57 Ca 0.69 -1.68 -0.24 0.00 -1.21 0.00 0.00 61.69 59.25 1noe s THR 57 Cb -0.47 -2.46 -0.16 0.00 -1.51 0.00 0.00 72.50 67.89 1noe s THR 57 CO 0.52 0.00 1.61 -0.78 -2.21 0.00 0.00 174.62 173.76 1noe h ASP 58 N 2.29 -0.04 0.03 8.08 3.58 -2.02 0.22 116.42 128.56 1noe h ASP 58 Ca -0.29 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.03 1noe h ASP 58 Cb 1.24 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1noe h ASP 58 CO 0.41 0.10 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.52 1noe h GLU 59 N -0.18 0.00 -3.30 0.28 5.08 -1.99 -3.41 114.58 111.07 1noe h GLU 59 Ca -0.01 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1noe h GLU 59 Cb 0.16 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.01 1noe h GLU 59 CO 0.01 0.02 -0.72 -1.58 -1.00 0.00 0.00 179.01 175.74 1noe s TRP 60 N -4.71 2.32 0.39 4.33 0.52 0.78 -0.48 118.94 122.08 1noe s TRP 60 Ca -0.05 -2.51 0.05 0.00 0.02 0.00 0.00 56.10 53.62 1noe s TRP 60 Cb 0.15 -2.13 0.05 0.00 -1.15 0.00 0.00 33.47 30.40 1noe s TRP 60 CO 0.59 -0.81 0.43 1.63 0.02 0.00 0.00 176.95 178.81 1noe n LYS 61 N 3.73 0.82 -4.15 4.98 4.01 -0.77 -0.68 118.16 126.10 1noe n LYS 61 Ca 0.06 -2.25 -0.27 0.00 -0.51 0.00 0.00 58.31 55.33 1noe n LYS 61 Cb 0.36 0.03 -0.07 0.00 -0.51 0.00 0.00 35.03 34.83 1noe n LYS 61 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1noe s GLY 62 N -3.62 1.78 0.81 0.72 0.00 -0.72 -0.07 107.32 106.23 1noe s GLY 62 Ca 0.32 -1.26 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 1noe s GLY 62 CO 0.21 -1.26 1.13 0.00 0.00 0.00 0.00 173.10 173.18 1noe h GLN 64 N -0.99 -0.59 -0.24 0.00 4.15 -1.83 -3.36 115.11 112.26 1noe h GLN 64 Ca -0.42 0.04 -0.07 0.00 0.77 0.00 0.00 58.65 58.97 1noe h GLN 64 Cb 1.27 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 29.06 1noe h GLN 64 CO 0.47 -0.39 -0.06 1.47 -1.93 0.00 0.00 178.83 178.39 1noe n LEU 65 N -5.40 3.65 -3.68 -2.39 -0.00 -1.26 -4.71 117.00 103.21 1noe n LEU 65 Ca -0.09 -3.38 -0.28 0.00 -0.00 0.00 0.00 56.01 52.26 1noe n LEU 65 Cb 0.31 -0.56 -0.10 0.00 -0.00 0.00 0.00 43.42 43.07 1noe n LEU 65 CO 0.30 0.95 0.05 0.49 -0.00 0.00 0.00 177.39 179.17 1noe n PHE 66 N -0.94 3.48 -2.03 1.47 3.01 -1.26 -5.10 117.46 116.09 1noe n PHE 66 Ca 0.25 -4.22 -0.32 0.00 1.01 0.00 0.00 57.45 54.16 1noe n PHE 66 Cb 0.89 -0.62 0.01 0.00 -0.01 0.00 0.00 39.48 39.76 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 -1.97 3.34 0.00 -1.08 0.04 -1.26 -4.12 135.00 129.94 1noe s PRO 67 Ca 0.32 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1noe s PRO 67 Cb 0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1noe s PRO 67 CO -0.09 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1noe n GLY 68 N -1.17 1.18 3.72 0.56 0.00 -1.26 -4.87 105.19 103.36 1noe n GLY 68 Ca 0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.88 -0.02 1.61 1.02 -1.26 -4.77 119.74 117.20 1noe s LYS 69 Ca 0.00 0.50 0.02 0.00 0.02 0.00 0.00 55.97 56.51 1noe s LYS 69 Cb 0.00 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1noe s LYS 69 CO 0.00 -2.42 -0.08 -0.51 -0.92 0.00 0.00 175.35 171.42 1noe s LEU 70 N -6.25 1.81 0.04 3.17 1.43 -1.26 -4.79 118.68 112.83 1noe s LEU 70 Ca 0.64 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 1noe s LEU 70 Cb -0.17 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 1noe s LEU 70 CO 0.56 0.06 0.44 0.27 0.23 0.00 0.00 176.35 177.91 1noe s ILE 71 N 0.15 4.98 0.11 -0.59 -5.25 0.90 -2.09 121.20 119.42 1noe s ILE 71 Ca -0.02 0.83 -0.31 0.00 -0.99 0.00 0.00 60.65 60.16 1noe s ILE 71 Cb -0.08 -3.73 -0.08 0.00 2.95 0.00 0.00 42.46 41.52 1noe s ILE 71 CO 0.00 0.50 1.47 0.21 -1.79 0.00 0.00 174.94 175.33 1noe s ASN 72 N -1.24 6.74 0.51 4.36 3.84 -1.26 -1.85 114.94 126.04 1noe s ASN 72 Ca 0.27 2.40 0.21 0.00 0.21 0.00 0.00 52.86 55.95 1noe s ASN 72 Cb -0.16 -2.58 1.29 0.00 -0.55 0.00 0.00 41.25 39.24 1noe s ASN 72 CO 0.15 -0.73 2.03 -0.37 -2.79 0.00 0.00 177.10 175.40 1noe h VAL 73 N 4.30 0.84 -0.57 -5.21 -1.51 -1.07 0.20 116.25 113.23 1noe h VAL 73 Ca -0.42 -0.03 -0.13 0.00 -1.23 0.00 0.00 66.70 64.89 1noe h VAL 73 Cb 1.20 0.75 -0.08 0.00 -2.13 0.00 0.00 31.29 31.03 1noe h VAL 73 CO 0.89 0.01 0.17 0.59 -1.23 0.00 0.00 177.57 178.00 1noe n ASN 74 N -4.44 4.44 -4.02 4.19 3.02 -1.26 -0.65 115.26 116.53 1noe n ASN 74 Ca 0.06 -2.93 -0.15 0.00 -0.03 0.00 0.00 54.58 51.53 1noe n ASN 74 Cb 0.42 -0.69 0.07 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.08 1.34 3.37 7.41 0.00 0.72 -1.01 105.19 117.10 1noe n GLY 75 Ca 0.31 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1noe n GLY 75 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1noe s TRP 76 N -1.91 -0.38 0.08 1.61 -0.00 -0.22 -0.37 118.94 117.75 1noe s TRP 76 Ca 0.47 0.32 -0.01 0.00 -0.00 0.00 0.00 56.10 56.87 1noe s TRP 76 Cb -0.03 0.34 -0.04 0.00 -0.00 0.00 0.00 33.47 33.74 1noe s TRP 76 CO 0.30 -0.67 0.01 -1.54 -0.00 0.00 0.00 176.95 175.05 1noe s SER 77 N -2.22 0.42 -0.10 5.86 1.04 -1.26 -0.49 113.70 116.96 1noe s SER 77 Ca -0.03 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1noe s SER 77 Cb -0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1noe s SER 77 CO -0.05 -0.64 1.56 0.00 0.98 0.00 0.00 173.24 175.09 1noe s ALA 78 N -3.95 3.59 0.00 5.32 0.00 0.81 -2.38 121.76 125.15 1noe s ALA 78 Ca 0.12 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1noe s ALA 78 Cb 0.08 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1noe s ALA 78 CO -0.07 -1.41 0.00 0.45 0.00 0.00 0.00 175.76 174.74 1noe n SER 79 N 7.16 0.00 0.00 0.00 2.88 -1.26 -4.83 113.62 117.57 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 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 0.00 -1.27 0.66 -0.00 -1.00 -4.91 117.44 110.92 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 0.00 -6.91 -1.66 5.87 -1.04 -1.26 -3.85 114.28 105.43 1noe n THR 81 Ca 0.00 1.43 -0.45 0.00 -2.04 0.00 0.00 64.05 62.99 1noe n THR 81 Cb 0.00 -3.72 -0.02 0.00 -1.82 0.00 0.00 70.33 64.76 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 2.85 -4.16 -4.42 0.00 -1.26 -0.50 117.00 110.31 1noe n LEU 82 Ca 0.00 1.15 -0.33 0.00 0.00 0.00 0.00 56.01 56.83 1noe n LEU 82 Cb 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 43.42 41.95 1noe n LEU 82 CO 0.00 -0.67 1.65 1.17 0.00 0.00 0.00 177.39 179.55 1noe n LYS 83 N 1.69 1.25 -1.63 1.96 4.81 0.61 -4.31 118.16 122.53 1noe n LYS 83 Ca 0.11 -2.04 -0.42 0.00 -0.87 0.00 0.00 58.31 55.09 1noe n LYS 83 Cb 0.31 -3.37 -0.02 0.00 0.02 0.00 0.00 35.03 31.98 1noe n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1noe n ALA 84 N 12.23 4.68 0.00 3.14 0.00 -1.26 -4.87 120.51 134.43 1noe n ALA 84 Ca 0.46 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1noe n ALA 84 Cb 0.44 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91