#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 0.09 -4.82 0.00 3.41 -1.26 -4.99 113.62 106.06 1noe n SER 1 Ca 0.00 0.70 -0.34 0.00 -0.26 0.00 0.00 58.87 58.97 1noe n SER 1 Cb 0.00 -1.34 -0.07 0.00 -0.26 0.00 0.00 64.21 62.54 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 -1.73 3.08 0.70 7.33 0.00 -1.26 -5.06 121.76 124.82 1noe s ALA 2 Ca 0.72 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1noe s ALA 2 Cb -0.38 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1noe s ALA 2 CO 0.51 0.15 1.07 -1.25 0.00 0.00 0.00 175.76 176.23 1noe s PRO 3 N -3.00 2.83 0.36 0.00 0.04 -1.26 -4.96 135.00 129.01 1noe s PRO 3 Ca 0.60 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.69 1noe s PRO 3 Cb -0.10 -1.97 0.69 0.00 0.04 0.00 0.00 34.50 33.15 1noe s PRO 3 CO 0.15 -1.19 2.00 0.00 0.04 0.00 0.00 177.00 178.00 1noe h ALA 4 N -0.72 1.61 -0.10 8.56 0.00 -2.02 -3.27 119.26 123.33 1noe h ALA 4 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1noe h ALA 4 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1noe h ALA 4 CO 0.56 0.33 0.00 0.27 0.00 0.00 0.00 179.25 180.40 1noe n ASN 5 N -4.45 0.00 0.00 0.00 6.94 -1.26 -4.93 115.26 111.56 1noe n ASN 5 Ca 0.08 0.56 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 1noe n ASN 5 Cb 0.11 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.95 0.00 -1.86 -2.53 0.00 -1.23 -4.10 120.51 108.83 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 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.51 -5.47 -2.14 0.00 0.31 -0.87 -4.59 118.33 104.05 1noe n VAL 7 Ca 0.00 2.53 -0.36 0.00 -0.01 0.00 0.00 64.34 66.50 1noe n VAL 7 Cb 0.35 -3.31 0.01 0.00 -0.91 0.00 0.00 33.84 29.98 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 -2.36 2.70 0.12 3.52 0.00 -1.26 -4.93 121.76 119.55 1noe s ALA 8 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 1noe s ALA 8 Cb 0.00 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1noe s ALA 8 CO 0.00 -0.93 1.66 0.00 0.00 0.00 0.00 175.76 176.50 1noe h ALA 9 N 1.25 -0.22 -0.71 0.00 0.00 -1.94 -2.87 119.26 114.77 1noe h ALA 9 Ca -0.50 0.01 -0.51 0.00 0.00 0.00 0.00 54.91 53.91 1noe h ALA 9 Cb 1.27 0.32 -0.21 0.00 0.00 0.00 0.00 17.79 19.17 1noe h ALA 9 CO 0.57 -0.67 0.63 -0.25 0.00 0.00 0.00 179.25 179.53 1noe n ASP 10 N -5.31 7.01 -4.74 0.00 9.92 -1.26 -4.09 116.55 118.08 1noe n ASP 10 Ca -0.05 -3.41 -0.41 0.00 -0.53 0.00 0.00 54.79 50.40 1noe n ASP 10 Cb 0.23 -1.05 -0.05 0.00 -0.64 0.00 0.00 41.12 39.61 1noe n ASP 10 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1noe s ASP 11 N -0.63 7.44 0.24 -2.24 -1.08 -1.09 -4.89 116.67 114.43 1noe s ASP 11 Ca 0.48 1.98 -0.07 0.00 -0.52 0.00 0.00 52.55 54.42 1noe s ASP 11 Cb 0.37 -2.60 0.42 0.00 -1.46 0.00 0.00 42.92 39.65 1noe s ASP 11 CO -0.07 -0.06 1.65 0.00 0.52 0.00 0.00 175.17 177.22 1noe h ALA 12 N 4.84 0.79 -0.57 3.66 0.00 -1.92 0.42 119.26 126.49 1noe h ALA 12 Ca -0.44 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1noe h ALA 12 Cb 1.21 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1noe h ALA 12 CO 0.70 -0.40 0.02 1.15 0.00 0.00 0.00 179.25 180.73 1noe h THR 13 N 0.14 1.26 -0.29 0.00 2.02 -1.96 -0.27 112.91 113.81 1noe h THR 13 Ca 0.40 -1.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1noe h THR 13 Cb 0.69 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1noe h THR 13 CO -0.60 0.39 -0.16 0.00 0.37 0.00 0.00 175.52 175.52 1noe h ALA 14 N 1.12 1.20 0.50 6.16 0.00 -0.58 -0.38 119.26 127.27 1noe h ALA 14 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1noe h ALA 14 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1noe h ALA 14 CO 0.02 0.51 -0.24 0.82 0.00 0.00 0.00 179.25 180.37 1noe h ILE 15 N 0.46 0.38 -0.45 0.00 2.04 -0.49 0.82 117.51 120.26 1noe h ILE 15 Ca 0.08 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.61 1noe h ILE 15 Cb 0.54 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 1noe h ILE 15 CO 0.03 0.06 -0.20 0.00 0.00 0.00 0.00 178.15 178.04 1noe h ALA 16 N -0.66 0.14 -0.00 1.87 0.00 -0.76 0.10 119.26 119.94 1noe h ALA 16 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1noe h ALA 16 Cb 0.60 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1noe h ALA 16 CO 0.11 -0.55 -0.05 1.28 0.00 0.00 0.00 179.25 180.05 1noe n LEU 17 N -5.39 0.22 -3.73 0.00 4.77 -0.18 -4.93 117.00 107.77 1noe n LEU 17 Ca 0.03 0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 55.89 1noe n LEU 17 Cb 0.30 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1noe n LEU 17 CO 0.09 0.04 -0.10 0.29 -1.33 0.00 0.00 177.39 176.38 1noe n LYS 18 N -1.09 -3.36 -1.74 3.23 5.02 0.02 0.07 118.16 120.30 1noe n LYS 18 Ca 0.16 0.54 -0.39 0.00 -2.02 0.00 0.00 58.31 56.60 1noe n LYS 18 Cb 0.24 -4.78 0.03 0.00 -0.02 0.00 0.00 35.03 30.50 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 -4.21 2.38 0.00 2.13 4.19 0.19 -3.77 117.16 118.07 1noe n TYR 19 Ca -0.23 0.44 0.00 0.00 3.31 0.00 0.00 57.90 61.41 1noe n TYR 19 Cb 0.65 -2.39 0.00 0.00 0.49 0.00 0.00 39.34 38.09 1noe n TYR 19 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1noe n ASN 20 N -0.67 1.39 0.00 2.98 5.15 -0.86 -4.86 115.26 118.39 1noe n ASN 20 Ca 0.09 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1noe n ASN 20 Cb 0.43 0.94 0.00 0.00 -0.53 0.00 0.00 39.78 40.62 1noe n ASN 20 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1noe n GLN 21 N -1.08 0.00 -3.57 1.20 0.00 -1.26 -4.80 117.38 107.87 1noe n GLN 21 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.59 1noe n GLN 21 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 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 5.82 0.42 1.69 -1.08 -1.26 -2.72 116.67 119.54 1noe s ASP 22 Ca 0.00 -0.89 0.20 0.00 -0.52 0.00 0.00 52.55 51.34 1noe s ASP 22 Cb 0.00 -2.06 0.94 0.00 -1.46 0.00 0.00 42.92 40.34 1noe s ASP 22 CO 0.00 -0.37 1.87 0.00 0.52 0.00 0.00 175.17 177.19 1noe h ALA 23 N 8.48 1.20 -0.65 3.66 0.00 -0.96 0.14 119.26 131.13 1noe h ALA 23 Ca -0.27 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1noe h ALA 23 Cb 1.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1noe h ALA 23 CO 0.68 0.36 0.06 1.79 0.00 0.00 0.00 179.25 182.13 1noe h THR 24 N 0.00 1.27 0.00 0.00 1.35 -1.94 -3.04 112.91 110.54 1noe h THR 24 Ca -0.00 -1.10 -0.20 0.00 -0.55 0.00 0.00 66.41 64.55 1noe h THR 24 Cb 0.64 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1noe h THR 24 CO 0.04 0.41 -1.00 0.11 -0.25 0.00 0.00 175.52 174.82 1noe h LYS 25 N 1.02 0.00 -5.38 4.72 1.57 -1.92 -3.48 116.57 113.10 1noe h LYS 25 Ca 0.19 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.39 1noe h LYS 25 Cb 0.50 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.93 1noe h LYS 25 CO 0.02 0.88 -0.61 0.45 -0.57 0.00 0.00 179.45 179.62 1noe n SER 26 N -3.30 -1.64 0.01 0.86 2.88 0.02 -4.85 113.62 107.59 1noe n SER 26 Ca -0.01 0.91 0.01 0.00 -1.33 0.00 0.00 58.87 58.45 1noe n SER 26 Cb 0.92 -0.83 0.06 0.00 -0.75 0.00 0.00 64.21 63.61 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 1.01 0.01 -0.34 -1.46 0.00 -1.26 -3.54 120.64 115.06 1noe n GLU 27 Ca 0.14 0.50 0.12 0.00 0.00 0.00 0.00 57.16 57.92 1noe n GLU 27 Cb 0.27 -1.54 0.25 0.00 0.00 0.00 0.00 31.44 30.43 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 -0.81 3.44 0.11 -1.90 0.19 114.38 115.42 1noe h ARG 28 Ca 0.00 -0.00 0.20 0.00 0.10 0.00 0.00 59.98 60.28 1noe h ARG 28 Cb 0.01 -0.00 -0.13 0.00 1.11 0.00 0.00 29.97 30.96 1noe h ARG 28 CO 0.00 0.01 0.16 0.28 0.10 0.00 0.00 179.97 180.52 1noe h VAL 29 N 0.01 0.37 0.09 0.08 2.07 -1.88 0.25 116.25 117.25 1noe h VAL 29 Ca 0.56 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.86 1noe h VAL 29 Cb 1.09 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1noe h VAL 29 CO -0.94 0.04 -0.74 0.00 0.02 0.00 0.00 177.57 175.95 1noe h ALA 30 N 1.72 0.01 -0.65 1.67 0.00 -1.02 -3.38 119.26 117.61 1noe h ALA 30 Ca 0.48 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1noe h ALA 30 Cb 0.90 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1noe h ALA 30 CO -0.62 0.39 0.34 0.00 0.00 0.00 0.00 179.25 179.36 1noe h ALA 31 N -0.01 0.83 -6.27 0.00 0.00 -0.40 -3.48 119.26 109.93 1noe h ALA 31 Ca -0.15 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.34 1noe h ALA 31 Cb 1.46 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1noe h ALA 31 CO 0.06 0.37 -1.06 0.00 0.00 0.00 0.00 179.25 178.62 1noe n ALA 32 N -2.34 -2.45 -1.29 0.00 0.00 0.84 -4.98 120.51 110.30 1noe n ALA 32 Ca 0.05 0.52 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 1noe n ALA 32 Cb 0.10 -2.56 0.09 0.00 0.00 0.00 0.00 19.45 17.08 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 -2.46 2.14 0.00 0.00 3.00 -1.26 -5.00 118.95 115.37 1noe s ARG 33 Ca 0.35 1.59 0.00 0.00 0.00 0.00 0.00 55.73 57.67 1noe s ARG 33 Cb -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 34.95 33.05 1noe s ARG 33 CO 0.84 -1.79 0.00 -0.35 0.00 0.00 0.00 175.30 174.00 1noe n PRO 34 N -2.94 0.67 0.00 3.54 -0.04 -1.26 -4.55 135.00 130.42 1noe n PRO 34 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 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 3.69 1.82 3.09 0.55 0.00 -1.26 -4.77 105.19 108.30 1noe n GLY 35 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 1.89 0.45 0.99 2.96 -1.26 -5.08 118.68 118.62 1noe s LEU 36 Ca 0.00 -0.51 -0.23 0.00 -0.22 0.00 0.00 54.13 53.17 1noe s LEU 36 Cb 0.00 0.50 -0.08 0.00 0.50 0.00 0.00 46.19 47.11 1noe s LEU 36 CO 0.00 -0.46 1.14 -2.16 -1.32 0.00 0.00 176.35 173.55 1noe s PRO 37 N -2.30 3.82 0.29 0.98 0.04 -1.26 -4.80 135.00 131.78 1noe s PRO 37 Ca -0.08 1.71 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1noe s PRO 37 Cb -0.03 -2.41 0.76 0.00 0.04 0.00 0.00 34.50 32.86 1noe s PRO 37 CO -0.03 -0.48 1.68 -1.00 0.04 0.00 0.00 177.00 177.20 1noe h PRO 38 N 2.09 0.32 -1.03 0.56 0.13 -1.86 0.31 132.00 132.53 1noe h PRO 38 Ca -0.49 -0.02 0.27 0.00 -0.87 0.00 0.00 66.00 64.89 1noe h PRO 38 Cb 1.24 -0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1noe h PRO 38 CO 0.60 0.21 0.69 0.93 -0.23 0.00 0.00 178.00 180.20 1noe h GLU 39 N 0.33 0.29 0.00 0.86 3.07 -1.91 0.17 114.58 117.39 1noe h GLU 39 Ca 0.58 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.40 1noe h GLU 39 Cb 1.14 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1noe h GLU 39 CO -0.58 0.19 -0.61 0.93 -1.40 0.00 0.00 179.01 177.55 1noe h GLU 40 N 0.30 0.00 -6.18 2.33 5.08 -1.28 -3.46 114.58 111.36 1noe h GLU 40 Ca 0.56 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.36 1noe h GLU 40 Cb 1.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 1noe h GLU 40 CO -0.21 0.05 0.96 -0.65 -1.00 0.00 0.00 179.01 178.16 1noe s GLN 41 N -3.25 4.21 0.18 2.33 -0.21 0.59 -4.93 119.66 118.58 1noe s GLN 41 Ca 0.03 1.82 -0.10 0.00 0.02 0.00 0.00 55.36 57.13 1noe s GLN 41 Cb 0.08 -3.83 -0.00 0.00 1.00 0.00 0.00 33.01 30.25 1noe s GLN 41 CO 0.74 -0.75 0.34 -3.38 -2.12 0.00 0.00 175.29 170.12 1noe s HIS 42 N 3.68 0.37 0.44 0.91 -3.43 -1.26 -4.84 115.29 111.15 1noe s HIS 42 Ca 0.60 -0.72 0.24 0.00 -0.80 0.00 0.00 55.06 54.39 1noe s HIS 42 Cb -0.25 0.02 1.25 0.00 -1.43 0.00 0.00 32.58 32.17 1noe s HIS 42 CO 0.19 -0.79 1.78 0.00 -2.00 0.00 0.00 174.74 173.92 1noe h ALA 44 N 1.56 1.44 0.32 0.00 0.00 -0.85 -3.04 119.26 118.69 1noe h ALA 44 Ca 0.59 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.63 1noe h ALA 44 Cb 1.77 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1noe h ALA 44 CO -0.22 -0.29 -0.16 -0.91 0.00 0.00 0.00 179.25 177.67 1noe h ASN 45 N 0.45 -0.37 0.00 0.00 4.21 -1.09 -3.46 115.58 115.32 1noe h ASN 45 Ca 0.55 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.07 1noe h ASN 45 Cb 1.00 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 1noe h ASN 45 CO -0.50 0.07 0.00 0.00 -1.29 0.00 0.00 177.43 175.71 1noe n GLN 47 N -1.66 -0.93 -3.77 0.00 7.27 0.27 -0.06 117.38 118.49 1noe n GLN 47 Ca 0.00 -0.19 -0.31 0.00 0.07 0.00 0.00 57.00 56.57 1noe n GLN 47 Cb 0.13 -0.30 0.03 0.00 2.41 0.00 0.00 30.24 32.50 1noe n GLN 47 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1noe n PHE 48 N -1.84 -1.81 -0.99 3.69 -1.74 -1.19 -4.95 117.46 108.63 1noe n PHE 48 Ca -0.05 0.50 -0.38 0.00 -0.56 0.00 0.00 57.45 56.96 1noe n PHE 48 Cb 0.14 -3.49 0.04 0.00 1.52 0.00 0.00 39.48 37.70 1noe n PHE 48 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1noe n MET 49 N -4.30 -0.05 -2.47 3.97 0.00 0.91 -4.81 117.12 110.37 1noe n MET 49 Ca -0.15 -0.01 -0.40 0.00 0.00 0.00 0.00 57.70 57.14 1noe n MET 49 Cb 0.61 -1.04 -0.02 0.00 0.00 0.00 0.00 33.22 32.78 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 -2.07 3.63 0.39 3.17 -0.21 0.27 -4.76 119.66 120.09 1noe s GLN 50 Ca 0.39 -1.74 0.20 0.00 0.02 0.00 0.00 55.36 54.22 1noe s GLN 50 Cb -0.02 -5.46 1.16 0.00 1.00 0.00 0.00 33.01 29.70 1noe s GLN 50 CO 0.73 -2.63 1.72 0.00 -2.12 0.00 0.00 175.29 172.99 1noe h ALA 51 N 8.22 2.28 0.00 6.09 0.00 -1.87 -3.09 119.26 130.90 1noe h ALA 51 Ca 0.38 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1noe h ALA 51 Cb 0.90 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1noe h ALA 51 CO 1.41 -0.77 -0.02 -0.25 0.00 0.00 0.00 179.25 179.62 1noe n ASP 52 N -4.72 3.55 -4.82 0.00 9.92 -1.26 -4.51 116.55 114.71 1noe n ASP 52 Ca 0.29 -1.98 -0.34 0.00 -0.53 0.00 0.00 54.79 52.24 1noe n ASP 52 Cb 1.01 -0.79 -0.07 0.00 -0.64 0.00 0.00 41.12 40.64 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 0.85 3.09 -1.10 2.24 0.00 -1.21 -4.91 121.76 120.71 1noe s ALA 53 Ca 0.08 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 1noe s ALA 53 Cb 0.04 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 1noe s ALA 53 CO 0.00 0.15 2.03 0.00 0.00 0.00 0.00 175.76 177.95 1noe s ALA 54 N -2.08 1.21 0.00 0.00 0.00 -1.26 -0.89 121.76 118.73 1noe s ALA 54 Ca 0.60 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1noe s ALA 54 Cb -0.10 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.34 1noe s ALA 54 CO 0.15 -5.91 0.00 0.41 0.00 0.00 0.00 175.76 170.41 1noe n GLY 55 N 6.08 1.74 3.63 0.00 0.00 -1.26 -4.72 105.19 110.65 1noe n GLY 55 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.98 0.47 -2.26 4.61 0.00 -0.07 -5.00 120.51 117.28 1noe n ALA 56 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 1noe n ALA 56 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.22 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 -1.29 0.01 0.10 0.00 -1.32 0.04 -5.00 115.64 108.19 1noe s THR 57 Ca 0.64 -1.95 -0.21 0.00 -1.21 0.00 0.00 61.69 58.96 1noe s THR 57 Cb -0.52 -2.43 -0.11 0.00 -1.51 0.00 0.00 72.50 67.93 1noe s THR 57 CO 0.56 -0.05 1.75 -0.78 -2.21 0.00 0.00 174.62 173.89 1noe h ASP 58 N 2.62 0.11 -0.02 8.08 3.58 -2.01 0.12 116.42 128.90 1noe h ASP 58 Ca -0.35 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 1noe h ASP 58 Cb 1.24 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 1noe h ASP 58 CO 0.52 0.09 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.61 1noe h GLU 59 N 0.13 0.16 -3.82 0.28 5.08 -1.98 -3.41 114.58 111.01 1noe h GLU 59 Ca 0.04 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.75 1noe h GLU 59 Cb -0.01 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 28.81 1noe h GLU 59 CO -0.01 0.20 -0.72 -1.58 -1.00 0.00 0.00 179.01 175.91 1noe s TRP 60 N -4.95 2.74 0.28 4.33 0.52 0.41 -0.61 118.94 121.66 1noe s TRP 60 Ca -0.05 -2.57 0.05 0.00 0.02 0.00 0.00 56.10 53.54 1noe s TRP 60 Cb 0.16 -2.37 0.05 0.00 -1.15 0.00 0.00 33.47 30.16 1noe s TRP 60 CO 0.70 -0.86 0.37 1.63 0.02 0.00 0.00 176.95 178.82 1noe n LYS 61 N 4.09 0.83 -4.34 4.98 4.01 -0.16 -0.78 118.16 126.80 1noe n LYS 61 Ca 0.03 -1.54 -0.29 0.00 -0.51 0.00 0.00 58.31 56.01 1noe n LYS 61 Cb 0.39 -0.09 -0.11 0.00 -0.51 0.00 0.00 35.03 34.70 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 -3.24 1.68 0.00 0.72 0.00 -1.17 -0.10 107.32 105.21 1noe s GLY 62 Ca 0.28 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1noe s GLY 62 CO 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 173.10 171.85 1noe n GLN 64 N 0.00 0.00 -0.60 0.00 7.27 -1.26 -0.56 117.38 122.23 1noe n GLN 64 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.12 1noe n GLN 64 Cb 0.00 0.00 0.28 0.00 2.41 0.00 0.00 30.24 32.93 1noe n GLN 64 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1noe n LEU 65 N -3.38 4.19 -3.83 1.69 -0.00 -1.26 -4.57 117.00 109.84 1noe n LEU 65 Ca 0.00 -2.12 -0.30 0.00 -0.00 0.00 0.00 56.01 53.59 1noe n LEU 65 Cb 0.00 -0.61 -0.09 0.00 -0.00 0.00 0.00 43.42 42.72 1noe n LEU 65 CO 0.00 0.52 0.12 0.49 -0.00 0.00 0.00 177.39 178.53 1noe n PHE 66 N 0.47 3.53 -2.38 1.47 3.01 -1.26 -5.10 117.46 117.21 1noe n PHE 66 Ca 0.19 -4.17 -0.32 0.00 1.01 0.00 0.00 57.45 54.16 1noe n PHE 66 Cb 0.88 -0.74 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.77 3.93 0.00 -1.08 0.04 -1.26 -4.37 135.00 130.48 1noe s PRO 67 Ca 0.29 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1noe s PRO 67 Cb 0.00 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1noe s PRO 67 CO -0.11 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1noe n GLY 68 N -1.58 1.19 3.69 0.56 0.00 -1.26 -4.86 105.19 102.93 1noe n GLY 68 Ca 0.07 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 0.89 0.02 1.61 1.02 -1.26 -4.82 119.74 117.20 1noe s LYS 69 Ca 0.00 0.78 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1noe s LYS 69 Cb 0.00 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 1noe s LYS 69 CO 0.00 -2.49 -0.07 -0.51 -0.92 0.00 0.00 175.35 171.37 1noe s LEU 70 N -6.37 2.14 -0.09 3.17 1.43 -1.26 -4.81 118.68 112.89 1noe s LEU 70 Ca 0.64 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1noe s LEU 70 Cb -0.19 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 1noe s LEU 70 CO 0.58 -0.08 -0.01 0.27 0.23 0.00 0.00 176.35 177.34 1noe s ILE 71 N -0.81 4.24 0.17 -0.59 -4.36 0.86 -2.06 121.20 118.66 1noe s ILE 71 Ca -0.04 -0.27 -0.31 0.00 -0.26 0.00 0.00 60.65 59.76 1noe s ILE 71 Cb -0.06 -2.78 -0.09 0.00 1.25 0.00 0.00 42.46 40.77 1noe s ILE 71 CO 0.00 0.59 1.45 0.21 0.24 0.00 0.00 174.94 177.44 1noe s ASN 72 N -0.76 6.71 0.55 4.36 3.84 -1.26 -0.99 114.94 127.39 1noe s ASN 72 Ca 0.12 2.51 0.25 0.00 0.21 0.00 0.00 52.86 55.94 1noe s ASN 72 Cb -0.11 -2.60 1.49 0.00 -0.55 0.00 0.00 41.25 39.47 1noe s ASN 72 CO 0.02 -0.71 2.08 -0.37 -2.79 0.00 0.00 177.10 175.33 1noe h VAL 73 N 3.96 0.68 -0.75 -5.21 -1.51 -1.14 0.24 116.25 112.52 1noe h VAL 73 Ca -0.43 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 64.70 1noe h VAL 73 Cb 1.21 0.84 -0.20 0.00 -2.13 0.00 0.00 31.29 31.01 1noe h VAL 73 CO 0.85 0.00 0.43 0.59 -1.23 0.00 0.00 177.57 178.21 1noe n ASN 74 N -4.16 3.88 -2.11 4.19 3.02 -1.26 -0.19 115.26 118.63 1noe n ASN 74 Ca 0.03 -3.21 -0.01 0.00 -0.03 0.00 0.00 54.58 51.37 1noe n ASN 74 Cb 0.36 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.58 1.34 3.50 7.41 0.00 0.83 -0.37 105.19 117.32 1noe n GLY 75 Ca 0.44 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 0.48 -0.35 0.10 1.61 -0.00 -1.26 -0.57 118.94 118.95 1noe s TRP 76 Ca 0.02 0.22 -0.08 0.00 -0.00 0.00 0.00 56.10 56.27 1noe s TRP 76 Cb -0.00 0.54 -0.01 0.00 -0.00 0.00 0.00 33.47 34.00 1noe s TRP 76 CO 0.02 -0.55 0.18 -1.54 -0.00 0.00 0.00 176.95 175.06 1noe s SER 77 N -2.47 0.15 -0.56 5.86 1.04 -1.26 -2.04 113.70 114.42 1noe s SER 77 Ca 0.05 -0.75 -0.27 0.00 0.48 0.00 0.00 55.95 55.45 1noe s SER 77 Cb -0.01 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1noe s SER 77 CO -0.09 -0.75 1.69 0.00 0.98 0.00 0.00 173.24 175.08 1noe s ALA 78 N -3.90 2.49 0.00 5.32 0.00 0.11 -1.27 121.76 124.51 1noe s ALA 78 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1noe s ALA 78 Cb 0.05 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1noe s ALA 78 CO -0.08 -3.40 0.00 0.45 0.00 0.00 0.00 175.76 172.73 1noe n SER 79 N 11.30 0.00 -4.45 0.00 2.88 -1.26 -4.74 113.62 117.34 1noe n SER 79 Ca 0.17 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.25 1noe n SER 79 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.03 -4.26 0.66 -0.00 -0.39 -5.03 117.44 108.39 1noe n TRP 80 Ca 0.00 0.87 -0.18 0.00 -0.00 0.00 0.00 57.50 58.19 1noe n TRP 80 Cb 0.00 -2.04 -0.13 0.00 -0.00 0.00 0.00 31.31 29.14 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 -1.06 0.84 0.89 5.87 2.01 -1.26 -5.01 115.64 117.93 1noe s THR 81 Ca 0.62 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 61.64 1noe s THR 81 Cb -0.84 -0.78 0.04 0.00 0.01 0.00 0.00 72.50 70.92 1noe s THR 81 CO 0.57 -0.05 0.56 -0.11 -0.69 0.00 0.00 174.62 174.91 1noe n LEU 82 N 2.04 0.70 -4.58 4.42 0.00 -1.26 -0.57 117.00 117.74 1noe n LEU 82 Ca -0.18 0.41 -0.16 0.00 0.00 0.00 0.00 56.01 56.08 1noe n LEU 82 Cb 0.55 -1.26 -0.11 0.00 0.00 0.00 0.00 43.42 42.61 1noe n LEU 82 CO 0.23 -3.24 1.13 -0.75 0.00 0.00 0.00 177.39 174.76 1noe s LYS 83 N -3.60 1.31 -0.94 1.96 2.20 -1.18 -2.91 119.74 116.59 1noe s LYS 83 Ca 0.61 -0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 55.74 1noe s LYS 83 Cb -0.25 -4.98 0.24 0.00 -1.51 0.00 0.00 37.83 31.33 1noe s LYS 83 CO 0.63 -5.30 0.86 0.00 -0.36 0.00 0.00 175.35 171.18 1noe s ALA 84 N 16.39 4.33 0.00 3.13 0.00 -1.26 -4.99 121.76 139.36 1noe s ALA 84 Ca 0.81 -3.70 0.00 0.00 0.00 0.00 0.00 51.96 49.08 1noe s ALA 84 Cb -0.05 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1noe s ALA 84 CO 0.17 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.15