#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 -0.36 -4.56 0.00 2.88 -1.26 -5.09 113.62 105.24 1noe n SER 1 Ca 0.00 -1.15 -0.32 0.00 -1.33 0.00 0.00 58.87 56.07 1noe n SER 1 Cb 0.00 -0.54 -0.11 0.00 -0.75 0.00 0.00 64.21 62.81 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 -3.74 2.92 0.75 -1.46 0.00 -1.26 -5.02 121.76 113.95 1noe s ALA 2 Ca 0.39 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1noe s ALA 2 Cb -0.02 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.12 1noe s ALA 2 CO 0.28 0.61 1.08 -1.25 0.00 0.00 0.00 175.76 176.48 1noe s PRO 3 N -1.48 2.47 0.36 0.00 0.04 -1.26 -4.97 135.00 130.16 1noe s PRO 3 Ca 0.17 0.76 0.04 0.00 0.04 0.00 0.00 61.00 62.00 1noe s PRO 3 Cb -0.11 -1.95 0.67 0.00 0.04 0.00 0.00 34.50 33.15 1noe s PRO 3 CO 0.08 -1.38 1.98 0.00 0.04 0.00 0.00 177.00 177.72 1noe h ALA 4 N -0.91 1.53 -0.08 8.56 0.00 -2.01 -3.30 119.26 123.04 1noe h ALA 4 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1noe h ALA 4 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1noe h ALA 4 CO 0.59 0.39 0.00 0.27 0.00 0.00 0.00 179.25 180.50 1noe n ASN 5 N -4.41 0.00 0.00 0.00 6.94 -1.26 -4.93 115.26 111.61 1noe n ASN 5 Ca 0.04 0.53 0.00 0.00 -0.02 0.00 0.00 54.58 55.13 1noe n ASN 5 Cb 0.10 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 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 0.00 -1.86 -2.53 0.00 -1.24 -4.06 120.51 108.86 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 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.56 -5.63 -2.11 0.00 0.31 -0.99 -4.64 118.33 103.71 1noe n VAL 7 Ca 0.00 2.61 -0.41 0.00 -0.01 0.00 0.00 64.34 66.53 1noe n VAL 7 Cb 0.33 -3.43 -0.02 0.00 -0.91 0.00 0.00 33.84 29.81 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 -2.47 3.53 0.25 3.52 0.00 -1.26 -4.90 121.76 120.43 1noe s ALA 8 Ca 0.00 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 1noe s ALA 8 Cb 0.00 -3.49 0.49 0.00 0.00 0.00 0.00 23.12 20.11 1noe s ALA 8 CO 0.00 -0.64 1.72 0.00 0.00 0.00 0.00 175.76 176.84 1noe h ALA 9 N 4.02 1.10 -0.92 0.00 0.00 -1.91 -1.53 119.26 120.02 1noe h ALA 9 Ca -0.48 0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.03 1noe h ALA 9 Cb 1.22 0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.83 1noe h ALA 9 CO 0.70 -0.22 0.67 -0.25 0.00 0.00 0.00 179.25 180.14 1noe n ASP 10 N -5.01 4.77 -4.77 0.00 9.92 -1.26 -4.15 116.55 116.06 1noe n ASP 10 Ca 0.15 -3.54 -0.39 0.00 -0.53 0.00 0.00 54.79 50.48 1noe n ASP 10 Cb 0.44 -0.86 -0.02 0.00 -0.64 0.00 0.00 41.12 40.03 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 -1.24 6.70 0.24 -2.24 1.01 -0.57 -4.83 116.67 115.74 1noe s ASP 11 Ca 0.55 2.40 -0.08 0.00 0.71 0.00 0.00 52.55 56.13 1noe s ASP 11 Cb 0.45 -2.62 0.40 0.00 1.01 0.00 0.00 42.92 42.16 1noe s ASP 11 CO 0.07 -0.56 1.64 0.00 0.21 0.00 0.00 175.17 176.53 1noe h ALA 12 N 2.98 0.74 -0.59 5.23 0.00 -1.92 0.39 119.26 126.08 1noe h ALA 12 Ca -0.48 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1noe h ALA 12 Cb 1.23 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1noe h ALA 12 CO 0.64 -0.42 0.32 1.15 0.00 0.00 0.00 179.25 180.94 1noe h THR 13 N 0.10 1.19 -0.13 0.00 2.02 -1.94 -0.19 112.91 113.96 1noe h THR 13 Ca 0.39 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1noe h THR 13 Cb 0.68 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1noe h THR 13 CO -0.65 0.21 -0.22 0.00 0.37 0.00 0.00 175.52 175.23 1noe h ALA 14 N 1.15 1.38 0.50 6.16 0.00 -0.64 -0.04 119.26 127.77 1noe h ALA 14 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1noe h ALA 14 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1noe h ALA 14 CO -0.03 0.43 -0.24 0.82 0.00 0.00 0.00 179.25 180.23 1noe h ILE 15 N 0.21 0.00 -0.64 0.00 2.04 -0.42 0.68 117.51 119.39 1noe h ILE 15 Ca 0.04 -0.42 0.12 0.00 1.00 0.00 0.00 64.86 65.59 1noe h ILE 15 Cb 0.52 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1noe h ILE 15 CO 0.04 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.36 1noe h ALA 16 N -1.27 0.80 -0.17 1.87 0.00 -0.87 -0.47 119.26 119.15 1noe h ALA 16 Ca -0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1noe h ALA 16 Cb 0.51 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1noe h ALA 16 CO 0.11 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1noe n LEU 17 N -5.09 1.97 -3.90 0.00 4.77 -0.04 -4.97 117.00 109.74 1noe n LEU 17 Ca 0.10 -0.80 -0.36 0.00 -0.03 0.00 0.00 56.01 54.92 1noe n LEU 17 Cb 0.34 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1noe n LEU 17 CO 0.18 0.40 -0.15 0.29 -1.33 0.00 0.00 177.39 176.78 1noe n LYS 18 N 0.52 -1.13 -2.40 3.23 5.02 -0.19 0.30 118.16 123.51 1noe n LYS 18 Ca 0.17 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 1noe n LYS 18 Cb 0.39 -3.57 -0.03 0.00 -0.02 0.00 0.00 35.03 31.80 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 -3.61 2.29 -0.54 2.13 5.04 0.09 -3.91 117.35 118.84 1noe s TYR 19 Ca 0.39 0.45 0.25 0.00 -2.44 0.00 0.00 57.07 55.72 1noe s TYR 19 Cb -0.17 -4.41 0.64 0.00 0.35 0.00 0.00 41.96 38.37 1noe s TYR 19 CO 0.91 -1.97 1.71 -0.97 -1.34 0.00 0.00 175.55 173.90 1noe h ASN 20 N 10.99 0.00 0.00 4.32 -1.24 -1.71 -3.47 115.58 124.47 1noe h ASN 20 Ca -0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1noe h ASN 20 Cb 1.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1noe h ASN 20 CO 1.18 0.00 0.00 1.67 -1.29 0.00 0.00 177.43 178.99 1noe n GLN 21 N -2.69 0.00 -3.65 6.67 0.00 -1.26 -4.82 117.38 111.64 1noe n GLN 21 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.65 1noe n GLN 21 Cb 0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 30.24 30.30 1noe n GLN 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1noe s ASP 22 N 0.00 5.58 0.43 1.69 -1.08 -1.26 -3.82 116.67 118.21 1noe s ASP 22 Ca 0.00 -0.95 0.21 0.00 -0.52 0.00 0.00 52.55 51.30 1noe s ASP 22 Cb 0.00 -1.98 0.95 0.00 -1.46 0.00 0.00 42.92 40.43 1noe s ASP 22 CO 0.00 -0.34 1.86 0.00 0.52 0.00 0.00 175.17 177.21 1noe h ALA 23 N 8.37 1.13 -0.54 3.66 0.00 -0.40 0.12 119.26 131.59 1noe h ALA 23 Ca -0.26 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1noe h ALA 23 Cb 1.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1noe h ALA 23 CO 0.64 0.34 -0.09 1.79 0.00 0.00 0.00 179.25 181.93 1noe h THR 24 N 0.00 1.27 0.00 0.00 1.35 -1.89 -3.14 112.91 110.50 1noe h THR 24 Ca -0.00 -1.24 -0.20 0.00 -0.55 0.00 0.00 66.41 64.42 1noe h THR 24 Cb 0.68 0.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.02 1noe h THR 24 CO 0.04 0.44 -1.10 0.11 -0.25 0.00 0.00 175.52 174.75 1noe h LYS 25 N 0.90 0.00 -5.39 4.72 1.57 -1.92 -3.49 116.57 112.96 1noe h LYS 25 Ca 0.14 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.32 1noe h LYS 25 Cb 0.65 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.06 1noe h LYS 25 CO 0.04 0.70 -0.50 0.45 -0.57 0.00 0.00 179.45 179.58 1noe n SER 26 N -3.20 -1.21 0.00 0.86 2.88 0.40 -4.84 113.62 108.51 1noe n SER 26 Ca -0.04 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1noe n SER 26 Cb 0.91 -0.85 0.01 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.00 -0.35 -1.46 0.00 -1.26 -3.34 120.64 115.15 1noe n GLU 27 Ca 0.16 0.46 0.11 0.00 0.00 0.00 0.00 57.16 57.89 1noe n GLU 27 Cb 0.23 -1.55 0.23 0.00 0.00 0.00 0.00 31.44 30.35 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 -1.47 -0.08 -0.25 3.44 1.85 -1.26 -0.32 116.66 118.57 1noe n ARG 28 Ca -0.00 1.50 0.03 0.00 -1.00 0.00 0.00 57.85 58.38 1noe n ARG 28 Cb 0.04 -2.32 0.12 0.00 -1.05 0.00 0.00 32.46 29.25 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 0.32 0.11 8.89 2.07 -1.86 0.23 116.25 126.00 1noe h VAL 29 Ca 0.54 -0.02 -0.19 0.00 0.82 0.00 0.00 66.70 67.85 1noe h VAL 29 Cb 1.01 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1noe h VAL 29 CO -0.96 0.01 -0.83 0.00 0.02 0.00 0.00 177.57 175.81 1noe h ALA 30 N 1.71 -0.05 -0.36 1.67 0.00 -0.95 -3.35 119.26 117.92 1noe h ALA 30 Ca 0.37 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1noe h ALA 30 Cb 0.62 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1noe h ALA 30 CO -0.70 0.41 0.23 0.00 0.00 0.00 0.00 179.25 179.19 1noe h ALA 31 N 0.16 0.46 -6.28 0.00 0.00 -0.26 -3.48 119.26 109.87 1noe h ALA 31 Ca -0.13 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 1noe h ALA 31 Cb 1.60 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.25 1noe h ALA 31 CO 0.16 -0.05 -0.90 0.00 0.00 0.00 0.00 179.25 178.46 1noe n ALA 32 N -2.21 -2.61 -1.24 0.00 0.00 0.74 -4.96 120.51 110.22 1noe n ALA 32 Ca -0.00 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 1noe n ALA 32 Cb 0.04 -1.80 0.11 0.00 0.00 0.00 0.00 19.45 17.80 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 -3.46 1.89 0.00 0.00 3.00 -1.26 -4.98 118.95 114.14 1noe s ARG 33 Ca 0.17 1.76 0.00 0.00 0.00 0.00 0.00 55.73 57.66 1noe s ARG 33 Cb -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 34.95 33.12 1noe s ARG 33 CO 0.85 -2.03 0.00 -0.35 0.00 0.00 0.00 175.30 173.78 1noe n PRO 34 N -3.01 -0.14 0.00 3.54 -0.04 -1.26 -4.47 135.00 129.61 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 3.37 1.83 3.08 0.55 0.00 -1.26 -4.79 105.19 107.97 1noe n GLY 35 Ca 0.00 -0.14 -0.10 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 1.74 0.53 0.99 2.96 -1.26 -5.10 118.68 118.54 1noe s LEU 36 Ca 0.00 -0.31 -0.20 0.00 -0.22 0.00 0.00 54.13 53.40 1noe s LEU 36 Cb 0.00 0.53 -0.06 0.00 0.50 0.00 0.00 46.19 47.16 1noe s LEU 36 CO 0.00 -0.37 1.13 -2.16 -1.32 0.00 0.00 176.35 173.63 1noe s PRO 37 N -1.53 3.40 0.28 0.98 0.04 -1.26 -4.77 135.00 132.13 1noe s PRO 37 Ca -0.14 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.55 1noe s PRO 37 Cb -0.08 -2.05 0.67 0.00 0.04 0.00 0.00 34.50 33.09 1noe s PRO 37 CO 0.00 -0.82 1.71 -1.00 0.04 0.00 0.00 177.00 176.94 1noe h PRO 38 N 1.29 0.43 -0.97 0.56 0.13 -1.85 0.13 132.00 131.72 1noe h PRO 38 Ca -0.50 -0.03 0.24 0.00 -0.87 0.00 0.00 66.00 64.85 1noe h PRO 38 Cb 1.26 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1noe h PRO 38 CO 0.57 0.29 0.65 1.05 -0.23 0.00 0.00 178.00 180.33 1noe h GLU 39 N 0.45 0.29 -1.43 0.86 4.11 -1.91 0.19 114.58 117.13 1noe h GLU 39 Ca 0.53 -0.02 -0.68 0.00 0.07 0.00 0.00 59.36 59.27 1noe h GLU 39 Cb 0.95 -0.06 -0.33 0.00 0.50 0.00 0.00 28.75 29.81 1noe h GLU 39 CO -0.49 0.19 0.38 0.39 0.07 0.00 0.00 179.01 179.55 1noe n GLU 40 N -4.47 3.00 -4.40 1.06 -0.58 0.44 -4.88 120.64 110.80 1noe n GLU 40 Ca 0.21 -3.74 -0.33 0.00 -0.42 0.00 0.00 57.16 52.89 1noe n GLU 40 Cb 0.84 -2.27 -0.16 0.00 -0.57 0.00 0.00 31.44 29.28 1noe n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1noe s GLN 41 N -3.83 3.01 0.24 3.49 -0.21 0.65 -4.72 119.66 118.29 1noe s GLN 41 Ca 0.55 -0.84 -0.22 0.00 0.02 0.00 0.00 55.36 54.87 1noe s GLN 41 Cb 0.45 -2.50 0.04 0.00 1.00 0.00 0.00 33.01 31.99 1noe s GLN 41 CO -0.19 -0.11 0.70 -3.38 -2.12 0.00 0.00 175.29 170.20 1noe s HIS 42 N 1.04 -0.28 0.30 0.91 -3.43 -1.26 -4.77 115.29 107.80 1noe s HIS 42 Ca -0.01 -0.09 0.05 0.00 -0.80 0.00 0.00 55.06 54.20 1noe s HIS 42 Cb -0.14 0.66 0.71 0.00 -1.43 0.00 0.00 32.58 32.38 1noe s HIS 42 CO -0.07 -1.10 1.78 0.00 -2.00 0.00 0.00 174.74 173.34 1noe h ALA 44 N 1.64 2.41 -0.09 0.00 0.00 -1.35 0.44 119.26 122.29 1noe h ALA 44 Ca 0.57 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1noe h ALA 44 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1noe h ALA 44 CO -0.38 -0.69 0.00 0.09 0.00 0.00 0.00 179.25 178.27 1noe n ASN 45 N -4.45 2.16 -4.72 0.00 3.02 0.75 -4.97 115.26 107.05 1noe n ASN 45 Ca 0.19 -1.73 -0.38 0.00 -0.03 0.00 0.00 54.58 52.63 1noe n ASN 45 Cb 0.79 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 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 6.74 0.18 -0.44 0.00 4.15 -1.04 -2.49 115.11 122.20 1noe h GLN 47 Ca -0.41 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1noe h GLN 47 Cb 1.18 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1noe h GLN 47 CO 0.76 0.12 0.00 1.19 -1.93 0.00 0.00 178.83 178.96 1noe n PHE 48 N -4.44 0.57 -2.36 3.99 3.72 -1.26 -4.95 117.46 112.73 1noe n PHE 48 Ca 0.28 -0.30 -0.37 0.00 -0.05 0.00 0.00 57.45 57.01 1noe n PHE 48 Cb 1.14 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.65 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 -1.37 3.99 -0.10 -1.08 -2.45 -0.94 -2.56 119.30 114.78 1noe s MET 49 Ca 0.39 1.72 0.04 0.00 -1.25 0.00 0.00 55.69 56.59 1noe s MET 49 Cb 0.23 -2.55 0.00 0.00 1.25 0.00 0.00 34.83 33.76 1noe s MET 49 CO 0.31 -0.34 -0.23 1.14 1.05 0.00 0.00 175.02 176.95 1noe s GLN 50 N -2.48 3.06 0.34 4.11 -2.07 0.04 -4.87 119.66 117.78 1noe s GLN 50 Ca 0.59 -0.87 0.18 0.00 -1.82 0.00 0.00 55.36 53.44 1noe s GLN 50 Cb -0.27 -2.32 0.23 0.00 -1.09 0.00 0.00 33.01 29.55 1noe s GLN 50 CO 0.34 0.16 1.53 0.00 -1.32 0.00 0.00 175.29 176.00 1noe h ALA 51 N 6.76 0.79 0.00 2.60 0.00 -1.98 -0.47 119.26 126.97 1noe h ALA 51 Ca -0.20 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.75 1noe h ALA 51 Cb 1.23 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1noe h ALA 51 CO 0.48 0.44 2.76 -3.47 0.00 0.00 0.00 179.25 179.46 1noe n ASP 52 N -3.21 3.86 -4.06 0.00 2.03 -1.26 -4.79 116.55 109.11 1noe n ASP 52 Ca 0.02 -2.67 -0.32 0.00 0.52 0.00 0.00 54.79 52.34 1noe n ASP 52 Cb 0.65 -1.33 -0.15 0.00 -0.72 0.00 0.00 41.12 39.57 1noe n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1noe s ALA 53 N 3.93 2.52 -0.87 -1.67 0.00 -1.26 -4.93 121.76 119.49 1noe s ALA 53 Ca 0.53 -1.74 -0.26 0.00 0.00 0.00 0.00 51.96 50.48 1noe s ALA 53 Cb 0.14 -1.58 -0.16 0.00 0.00 0.00 0.00 23.12 21.52 1noe s ALA 53 CO 0.01 -1.20 2.32 0.00 0.00 0.00 0.00 175.76 176.89 1noe s ALA 54 N 1.12 0.66 0.00 0.00 0.00 -1.26 -0.95 121.76 121.33 1noe s ALA 54 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1noe s ALA 54 Cb -0.20 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1noe s ALA 54 CO -0.05 -6.16 0.00 0.41 0.00 0.00 0.00 175.76 169.96 1noe n GLY 55 N 6.65 1.46 3.66 0.00 0.00 -1.26 -4.76 105.19 110.94 1noe n GLY 55 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1noe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noe s ALA 56 N -2.00 1.38 0.00 4.61 0.00 -0.12 -5.05 121.76 120.58 1noe s ALA 56 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1noe s ALA 56 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1noe s ALA 56 CO 0.00 -2.83 0.00 -2.37 0.00 0.00 0.00 175.76 170.56 1noe n THR 57 N -4.28 0.00 -0.00 0.00 5.66 0.01 -5.03 114.28 110.64 1noe n THR 57 Ca 0.11 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.08 1noe n THR 57 Cb 0.52 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 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 1.41 -0.34 1.09 2.03 -1.26 -4.67 116.55 114.81 1noe n ASP 58 Ca 0.00 0.21 0.21 0.00 0.52 0.00 0.00 54.79 55.72 1noe n ASP 58 Cb 0.00 -0.48 0.45 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.36 0.46 -4.87 -0.67 5.08 -1.99 -3.37 114.58 108.87 1noe h GLU 59 Ca 0.00 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.66 1noe h GLU 59 Cb 0.36 -0.10 -0.31 0.00 0.50 0.00 0.00 28.75 29.19 1noe h GLU 59 CO 0.00 0.30 -0.72 -1.58 -1.00 0.00 0.00 179.01 176.01 1noe s TRP 60 N -5.64 3.11 0.00 4.33 0.52 -1.26 -0.50 118.94 119.50 1noe s TRP 60 Ca -0.10 -1.54 0.00 0.00 0.02 0.00 0.00 56.10 54.48 1noe s TRP 60 Cb 0.27 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1noe s TRP 60 CO 0.80 -0.72 0.00 1.63 0.02 0.00 0.00 176.95 178.67 1noe n LYS 61 N 4.68 1.37 -4.70 4.98 4.01 -0.57 -0.81 118.16 127.13 1noe n LYS 61 Ca -0.16 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.33 1noe n LYS 61 Cb 0.46 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.90 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 -0.64 2.86 0.02 0.72 0.00 -0.18 -0.03 107.32 110.07 1noe s GLY 62 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1noe s GLY 62 CO 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 173.10 170.91 1noe h GLN 64 N 4.96 0.66 -0.00 0.00 4.15 -1.83 0.13 115.11 123.17 1noe h GLN 64 Ca -0.31 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1noe h GLN 64 Cb 1.21 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1noe h GLN 64 CO 0.43 0.43 -0.14 1.28 -1.93 0.00 0.00 178.83 178.90 1noe n LEU 65 N -4.83 0.32 -3.42 -2.39 4.32 -1.26 -4.36 117.00 105.38 1noe n LEU 65 Ca 0.23 0.15 -0.26 0.00 -0.02 0.00 0.00 56.01 56.11 1noe n LEU 65 Cb 0.60 -0.28 -0.08 0.00 -1.62 0.00 0.00 43.42 42.04 1noe n LEU 65 CO 0.19 0.07 -0.07 0.49 -1.22 0.00 0.00 177.39 176.85 1noe n PHE 66 N -1.21 2.13 -2.21 -1.77 3.01 0.45 -5.00 117.46 112.87 1noe n PHE 66 Ca 0.11 -3.95 -0.31 0.00 1.01 0.00 0.00 57.45 54.31 1noe n PHE 66 Cb 0.30 -0.45 -0.01 0.00 -0.01 0.00 0.00 39.48 39.31 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 -1.79 3.75 0.00 -1.08 0.04 -1.24 -3.70 135.00 130.99 1noe s PRO 67 Ca 0.36 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1noe s PRO 67 Cb 0.12 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1noe s PRO 67 CO -0.08 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1noe n GLY 68 N -2.13 1.24 3.59 0.56 0.00 -1.26 -4.84 105.19 102.36 1noe n GLY 68 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.04 -0.02 1.61 1.02 -1.26 -4.86 119.74 115.20 1noe s LYS 69 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1noe s LYS 69 Cb 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.71 1noe s LYS 69 CO 0.00 -3.61 -0.07 -0.51 -0.92 0.00 0.00 175.35 170.23 1noe s LEU 70 N -6.92 1.80 0.01 3.17 1.43 -1.26 -4.80 118.68 112.11 1noe s LEU 70 Ca 0.70 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1noe s LEU 70 Cb -0.12 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 1noe s LEU 70 CO 0.57 0.05 0.37 0.27 0.23 0.00 0.00 176.35 177.84 1noe s ILE 71 N 0.16 5.12 0.09 -0.59 -4.36 0.96 -2.33 121.20 120.24 1noe s ILE 71 Ca -0.02 0.61 -0.31 0.00 -0.26 0.00 0.00 60.65 60.67 1noe s ILE 71 Cb -0.07 -3.65 -0.08 0.00 1.25 0.00 0.00 42.46 39.91 1noe s ILE 71 CO 0.00 0.48 1.47 0.21 0.24 0.00 0.00 174.94 177.34 1noe s ASN 72 N -1.32 6.75 0.57 4.36 3.84 -1.26 -1.51 114.94 126.36 1noe s ASN 72 Ca 0.26 2.35 0.26 0.00 0.21 0.00 0.00 52.86 55.94 1noe s ASN 72 Cb -0.15 -2.58 1.58 0.00 -0.55 0.00 0.00 41.25 39.55 1noe s ASN 72 CO 0.14 -0.74 2.12 -0.37 -2.79 0.00 0.00 177.10 175.45 1noe h VAL 73 N 4.49 0.61 -1.27 -5.21 -1.51 -1.07 0.11 116.25 112.40 1noe h VAL 73 Ca -0.41 0.00 -0.70 0.00 -1.23 0.00 0.00 66.70 64.36 1noe h VAL 73 Cb 1.20 0.87 -0.29 0.00 -2.13 0.00 0.00 31.29 30.94 1noe h VAL 73 CO 0.89 0.00 0.81 0.59 -1.23 0.00 0.00 177.57 178.63 1noe n ASN 74 N -4.02 7.47 -0.09 4.19 3.02 -1.26 -0.92 115.26 123.64 1noe n ASN 74 Ca 0.01 -3.80 -0.08 0.00 -0.03 0.00 0.00 54.58 50.68 1noe n ASN 74 Cb 0.29 -0.96 -0.03 0.00 -0.61 0.00 0.00 39.78 38.47 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 -0.80 -0.62 0.43 7.41 0.00 0.38 -0.16 105.19 111.84 1noe n GLY 75 Ca 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.49 -1.18 -3.94 1.61 -0.00 -1.26 -2.86 117.44 105.33 1noe n TRP 76 Ca -0.13 0.64 -0.09 0.00 -0.00 0.00 0.00 57.50 57.92 1noe n TRP 76 Cb 0.47 -1.38 -0.09 0.00 -0.00 0.00 0.00 31.31 30.31 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 -3.56 0.19 0.12 5.87 1.04 -1.26 -2.89 113.70 113.22 1noe s SER 77 Ca 0.00 -0.55 -0.31 0.00 0.48 0.00 0.00 55.95 55.57 1noe s SER 77 Cb 0.00 0.22 -0.10 0.00 0.10 0.00 0.00 66.02 66.25 1noe s SER 77 CO 0.00 -0.50 1.67 0.00 0.98 0.00 0.00 173.24 175.38 1noe s ALA 78 N -2.62 3.75 0.00 5.32 0.00 0.15 -0.87 121.76 127.49 1noe s ALA 78 Ca -0.05 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1noe s ALA 78 Cb -0.01 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1noe s ALA 78 CO -0.05 -1.01 0.00 0.45 0.00 0.00 0.00 175.76 175.15 1noe n SER 79 N 4.97 -0.08 -4.57 0.00 2.88 -1.26 -4.69 113.62 110.87 1noe n SER 79 Ca 0.16 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.18 1noe n SER 79 Cb 0.39 -0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 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 -2.03 1.26 -4.34 0.66 -0.00 -0.05 -5.00 117.44 107.95 1noe n TRP 80 Ca 0.00 0.71 -0.23 0.00 -0.00 0.00 0.00 57.50 57.98 1noe n TRP 80 Cb 0.00 -2.27 -0.17 0.00 -0.00 0.00 0.00 31.31 28.87 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 0.08 0.89 -0.03 5.87 2.01 -1.26 -4.99 115.64 118.21 1noe s THR 81 Ca 0.79 -0.31 -0.33 0.00 0.31 0.00 0.00 61.69 62.15 1noe s THR 81 Cb -0.94 -0.85 -0.11 0.00 0.01 0.00 0.00 72.50 70.61 1noe s THR 81 CO 0.51 0.31 1.87 -0.11 -0.69 0.00 0.00 174.62 176.50 1noe n LEU 82 N 4.05 3.61 -4.56 4.42 -0.00 -1.26 -0.53 117.00 122.72 1noe n LEU 82 Ca -0.22 0.97 -0.48 0.00 -0.00 0.00 0.00 56.01 56.28 1noe n LEU 82 Cb 0.51 -1.42 -0.05 0.00 -0.00 0.00 0.00 43.42 42.46 1noe n LEU 82 CO 0.23 -0.01 1.72 1.17 -0.00 0.00 0.00 177.39 180.50 1noe n LYS 83 N 6.47 1.64 0.05 1.96 4.81 0.41 -4.52 118.16 128.97 1noe n LYS 83 Ca 0.21 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1noe n LYS 83 Cb 0.32 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.66 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 9.32 3.00 1.70 3.14 0.00 -1.26 -4.90 120.51 131.50 1noe n ALA 84 Ca 0.32 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.91 1noe n ALA 84 Cb 0.30 0.11 0.69 0.00 0.00 0.00 0.00 19.45 20.56 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91