#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 0.49 -4.76 0.00 7.64 -1.26 -4.89 113.62 110.84 1noe n SER 1 Ca 0.00 -0.69 -0.38 0.00 1.01 0.00 0.00 58.87 58.81 1noe n SER 1 Cb 0.00 -1.12 0.02 0.00 -1.01 0.00 0.00 64.21 62.09 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 8.27 2.91 0.75 -0.43 0.00 -1.26 -5.00 121.76 127.00 1noe s ALA 2 Ca 1.15 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 54.19 1noe s ALA 2 Cb -0.60 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.07 1noe s ALA 2 CO 0.36 -1.07 1.08 -1.25 0.00 0.00 0.00 175.76 174.87 1noe s PRO 3 N -2.78 2.46 0.37 0.00 0.04 -1.26 -4.95 135.00 128.88 1noe s PRO 3 Ca 0.67 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1noe s PRO 3 Cb -0.36 -1.94 0.72 0.00 0.04 0.00 0.00 34.50 32.95 1noe s PRO 3 CO 0.43 -1.41 2.02 0.00 0.04 0.00 0.00 177.00 178.08 1noe h ALA 4 N -0.95 1.60 0.00 8.56 0.00 -2.01 -3.30 119.26 123.17 1noe h ALA 4 Ca -0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1noe h ALA 4 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1noe h ALA 4 CO 0.57 0.37 -0.00 -2.95 0.00 0.00 0.00 179.25 177.23 1noe h ASN 5 N 0.74 -0.00 -0.87 0.00 -1.07 -1.92 -3.47 115.58 108.98 1noe h ASN 5 Ca 0.20 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.43 1noe h ASN 5 Cb -0.07 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.12 1noe h ASN 5 CO -0.04 0.01 -0.13 0.00 0.07 0.00 0.00 177.43 177.34 1noe n ALA 6 N -2.02 -0.10 -1.65 4.14 0.00 -1.24 -3.84 120.51 115.79 1noe n ALA 6 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1noe n ALA 6 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.49 -4.82 -2.16 0.00 0.31 -0.95 -4.71 118.33 104.50 1noe n VAL 7 Ca -0.07 2.24 -0.42 0.00 -0.01 0.00 0.00 64.34 66.08 1noe n VAL 7 Cb 0.34 -3.20 -0.03 0.00 -0.91 0.00 0.00 33.84 30.03 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 -4.07 3.59 0.32 3.52 0.00 -1.25 -4.89 121.76 118.98 1noe s ALA 8 Ca 0.00 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.20 1noe s ALA 8 Cb 0.00 -3.54 0.93 0.00 0.00 0.00 0.00 23.12 20.52 1noe s ALA 8 CO 0.00 -0.62 1.70 0.00 0.00 0.00 0.00 175.76 176.84 1noe h ALA 9 N 6.64 1.79 -0.95 0.00 0.00 -1.91 0.25 119.26 125.09 1noe h ALA 9 Ca -0.42 0.16 -0.63 0.00 0.00 0.00 0.00 54.91 54.01 1noe h ALA 9 Cb 1.21 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.74 1noe h ALA 9 CO 0.86 -0.39 0.07 -3.47 0.00 0.00 0.00 179.25 176.31 1noe n ASP 10 N -4.98 6.31 -4.76 0.00 2.03 -1.26 -4.67 116.55 109.22 1noe n ASP 10 Ca 0.28 -3.77 -0.41 0.00 0.52 0.00 0.00 54.79 51.41 1noe n ASP 10 Cb 0.82 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.50 1noe n ASP 10 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1noe s ASP 11 N -2.63 7.01 0.28 1.67 1.01 0.07 -4.89 116.67 119.19 1noe s ASP 11 Ca 0.57 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.29 1noe s ASP 11 Cb 0.45 -2.63 0.64 0.00 1.01 0.00 0.00 42.92 42.39 1noe s ASP 11 CO -0.04 -0.37 1.66 0.00 0.21 0.00 0.00 175.17 176.63 1noe h ALA 12 N 3.94 1.21 -0.58 5.23 0.00 -1.95 0.38 119.26 127.49 1noe h ALA 12 Ca -0.47 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1noe h ALA 12 Cb 1.22 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1noe h ALA 12 CO 0.68 -0.41 0.21 1.15 0.00 0.00 0.00 179.25 180.88 1noe h THR 13 N 0.25 1.23 -0.59 0.00 2.02 -1.96 -0.14 112.91 113.73 1noe h THR 13 Ca 0.51 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1noe h THR 13 Cb 0.99 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1noe h THR 13 CO -0.60 0.29 0.26 0.00 0.37 0.00 0.00 175.52 175.84 1noe h ALA 14 N 1.06 1.35 0.56 6.16 0.00 -0.64 -0.15 119.26 127.61 1noe h ALA 14 Ca 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1noe h ALA 14 Cb 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1noe h ALA 14 CO -0.01 0.50 -0.27 0.82 0.00 0.00 0.00 179.25 180.29 1noe h ILE 15 N 0.84 0.00 -0.47 0.00 2.04 -0.66 0.32 117.51 119.59 1noe h ILE 15 Ca 0.21 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1noe h ILE 15 Cb 0.13 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.12 1noe h ILE 15 CO -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.07 1noe h ALA 16 N -1.49 0.38 0.00 1.87 0.00 -0.82 -0.52 119.26 118.68 1noe h ALA 16 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1noe h ALA 16 Cb 0.58 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1noe h ALA 16 CO 0.13 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1noe n LEU 17 N -5.28 0.00 -3.50 0.00 4.77 -0.09 -4.92 117.00 107.99 1noe n LEU 17 Ca 0.04 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1noe n LEU 17 Cb 0.25 -0.38 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1noe n LEU 17 CO 0.14 -0.02 0.06 0.29 -1.33 0.00 0.00 177.39 176.53 1noe n LYS 18 N -1.38 -5.93 -1.77 3.23 5.02 -0.20 -0.13 118.16 117.00 1noe n LYS 18 Ca 0.11 0.79 -0.40 0.00 -2.02 0.00 0.00 58.31 56.78 1noe n LYS 18 Cb 0.27 -5.67 0.01 0.00 -0.02 0.00 0.00 35.03 29.62 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 -3.45 2.47 0.00 2.13 6.14 0.05 -4.00 117.35 120.69 1noe s TYR 19 Ca 0.02 1.21 0.00 0.00 0.64 0.00 0.00 57.07 58.94 1noe s TYR 19 Cb -0.00 -3.99 0.00 0.00 0.42 0.00 0.00 41.96 38.39 1noe s TYR 19 CO 0.75 -3.06 0.00 -1.71 0.64 0.00 0.00 175.55 172.17 1noe n ASN 20 N 0.02 0.53 0.00 4.32 5.15 -1.04 -4.87 115.26 119.36 1noe n ASN 20 Ca 0.04 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1noe n ASN 20 Cb 0.41 0.88 0.00 0.00 -0.53 0.00 0.00 39.78 40.53 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 -0.93 0.00 -3.67 1.20 0.00 -1.26 -4.78 117.38 107.94 1noe n GLN 21 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 1noe n GLN 21 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.12 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 5.54 0.51 1.69 -1.08 -1.26 -2.64 116.67 119.43 1noe s ASP 22 Ca 0.00 -1.13 0.20 0.00 -0.52 0.00 0.00 52.55 51.10 1noe s ASP 22 Cb 0.00 -1.95 1.33 0.00 -1.46 0.00 0.00 42.92 40.84 1noe s ASP 22 CO 0.00 -0.38 2.11 0.00 0.52 0.00 0.00 175.17 177.42 1noe h ALA 23 N 8.34 1.71 -0.33 3.66 0.00 -0.99 -0.31 119.26 131.33 1noe h ALA 23 Ca -0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1noe h ALA 23 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1noe h ALA 23 CO 0.65 0.09 -0.03 1.79 0.00 0.00 0.00 179.25 181.75 1noe h THR 24 N 0.00 1.21 0.00 0.00 1.35 -1.94 -2.96 112.91 110.56 1noe h THR 24 Ca -0.00 -0.84 -0.18 0.00 -0.55 0.00 0.00 66.41 64.84 1noe h THR 24 Cb 0.14 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 1noe h THR 24 CO 0.01 0.28 -1.48 0.29 -0.25 0.00 0.00 175.52 174.38 1noe n LYS 25 N -4.26 0.62 -1.32 4.72 5.02 -0.94 -4.99 118.16 117.02 1noe n LYS 25 Ca 0.01 0.22 -0.44 0.00 -2.02 0.00 0.00 58.31 56.09 1noe n LYS 25 Cb 0.26 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1noe n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1noe n SER 26 N -2.89 -2.20 0.00 4.39 2.88 -0.17 -4.86 113.62 110.78 1noe n SER 26 Ca -0.11 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1noe n SER 26 Cb 0.87 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 1.19 0.00 -0.33 -1.46 0.00 -1.26 -3.76 120.64 115.02 1noe n GLU 27 Ca 0.14 0.46 0.10 0.00 0.00 0.00 0.00 57.16 57.85 1noe n GLU 27 Cb 0.33 -1.51 0.20 0.00 0.00 0.00 0.00 31.44 30.46 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 -1.46 -0.08 -0.28 3.44 1.85 -1.26 -0.25 116.66 118.62 1noe n ARG 28 Ca 0.00 1.41 0.05 0.00 -1.00 0.00 0.00 57.85 58.31 1noe n ARG 28 Cb 0.01 -2.17 0.14 0.00 -1.05 0.00 0.00 32.46 29.39 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 0.24 0.11 8.89 2.07 -1.87 0.25 116.25 125.94 1noe h VAL 29 Ca 0.50 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.85 1noe h VAL 29 Cb 0.91 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1noe h VAL 29 CO -0.91 0.01 -0.72 0.00 0.02 0.00 0.00 177.57 175.97 1noe h ALA 30 N 1.78 -0.04 -0.76 1.67 0.00 -0.93 -3.37 119.26 117.61 1noe h ALA 30 Ca 0.41 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1noe h ALA 30 Cb 0.70 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1noe h ALA 30 CO -0.77 0.35 0.37 0.00 0.00 0.00 0.00 179.25 179.20 1noe h ALA 31 N 0.04 1.22 -6.56 0.00 0.00 -0.38 -3.48 119.26 110.10 1noe h ALA 31 Ca -0.13 -0.15 -0.41 0.00 0.00 0.00 0.00 54.91 54.23 1noe h ALA 31 Cb 1.52 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1noe h ALA 31 CO 0.11 0.60 -1.14 0.00 0.00 0.00 0.00 179.25 178.82 1noe n ALA 32 N -2.43 -2.49 -1.46 0.00 0.00 0.84 -4.95 120.51 110.03 1noe n ALA 32 Ca 0.07 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 1noe n ALA 32 Cb 0.13 -1.80 0.09 0.00 0.00 0.00 0.00 19.45 17.88 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 -3.26 2.18 0.96 0.00 3.00 -1.26 -5.00 118.95 115.57 1noe s ARG 33 Ca 0.25 1.90 -0.16 0.00 0.00 0.00 0.00 55.73 57.72 1noe s ARG 33 Cb -0.03 -1.82 0.23 0.00 0.00 0.00 0.00 34.95 33.34 1noe s ARG 33 CO 0.88 -1.84 0.95 -0.35 0.00 0.00 0.00 175.30 174.94 1noe n PRO 34 N -2.51 -2.35 0.00 3.54 -0.04 -1.26 -4.53 135.00 127.85 1noe n PRO 34 Ca 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1noe n PRO 34 Cb 0.49 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -3.16 2.53 3.16 0.55 0.00 -1.26 -4.64 105.19 102.37 1noe n GLY 35 Ca 0.13 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 1.35 0.50 0.99 2.96 -1.26 -5.06 118.68 118.16 1noe s LEU 36 Ca 0.00 -0.22 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1noe s LEU 36 Cb 0.00 0.90 -0.07 0.00 0.50 0.00 0.00 46.19 47.52 1noe s LEU 36 CO 0.00 -0.46 1.14 -2.16 -1.32 0.00 0.00 176.35 173.54 1noe s PRO 37 N -1.85 3.59 0.27 0.98 0.04 -1.26 -4.80 135.00 131.97 1noe s PRO 37 Ca -0.11 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.59 1noe s PRO 37 Cb -0.05 -2.20 0.61 0.00 0.04 0.00 0.00 34.50 32.90 1noe s PRO 37 CO -0.00 -0.66 1.68 -1.00 0.04 0.00 0.00 177.00 177.06 1noe h PRO 38 N 1.64 0.30 -0.97 0.56 0.13 -1.86 0.77 132.00 132.58 1noe h PRO 38 Ca -0.50 -0.02 0.25 0.00 -0.87 0.00 0.00 66.00 64.87 1noe h PRO 38 Cb 1.25 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1noe h PRO 38 CO 0.59 0.20 0.66 1.05 -0.23 0.00 0.00 178.00 180.27 1noe h GLU 39 N 0.31 0.22 0.00 0.86 4.11 -1.91 0.19 114.58 118.36 1noe h GLU 39 Ca 0.50 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.78 1noe h GLU 39 Cb 0.92 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1noe h GLU 39 CO -0.55 0.15 -0.66 0.93 0.07 0.00 0.00 179.01 178.95 1noe h GLU 40 N 0.23 0.00 -6.45 1.06 5.08 -1.18 -3.47 114.58 109.84 1noe h GLU 40 Ca 0.50 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.32 1noe h GLU 40 Cb 1.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.82 1noe h GLU 40 CO -0.13 0.64 0.74 -0.65 -1.00 0.00 0.00 179.01 178.61 1noe s GLN 41 N -2.89 4.32 0.19 2.33 -0.21 0.66 -4.94 119.66 119.13 1noe s GLN 41 Ca 0.03 1.96 -0.19 0.00 0.02 0.00 0.00 55.36 57.19 1noe s GLN 41 Cb 0.08 -3.42 0.03 0.00 1.00 0.00 0.00 33.01 30.71 1noe s GLN 41 CO 0.77 -0.47 0.55 -3.38 -2.12 0.00 0.00 175.29 170.64 1noe s HIS 42 N 1.70 -0.19 0.34 0.91 -3.43 -1.26 -4.87 115.29 108.48 1noe s HIS 42 Ca 0.63 -0.14 0.12 0.00 -0.80 0.00 0.00 55.06 54.87 1noe s HIS 42 Cb -0.33 0.44 0.94 0.00 -1.43 0.00 0.00 32.58 32.20 1noe s HIS 42 CO 0.28 -0.92 1.74 0.00 -2.00 0.00 0.00 174.74 173.83 1noe h ALA 44 N 1.71 2.22 -0.24 0.00 0.00 -1.12 0.43 119.26 122.26 1noe h ALA 44 Ca 0.64 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1noe h ALA 44 Cb 1.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1noe h ALA 44 CO -0.44 -0.75 0.00 0.09 0.00 0.00 0.00 179.25 178.15 1noe n ASN 45 N -4.79 2.70 -4.72 0.00 4.13 0.54 -4.98 115.26 108.15 1noe n ASN 45 Ca 0.30 -1.88 -0.41 0.00 1.68 0.00 0.00 54.58 54.28 1noe n ASN 45 Cb 1.02 -0.15 -0.04 0.00 -1.54 0.00 0.00 39.78 39.07 1noe n ASN 45 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1noe h GLN 47 N 6.69 0.56 0.00 0.00 -0.00 -1.14 -2.68 115.11 118.54 1noe h GLN 47 Ca -0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1noe h GLN 47 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.56 1noe h GLN 47 CO 0.75 0.37 -0.23 1.19 0.00 0.00 0.00 178.83 180.91 1noe n PHE 48 N -4.90 0.00 -2.45 3.99 3.72 -1.26 -4.90 117.46 111.65 1noe n PHE 48 Ca 0.21 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 1noe n PHE 48 Cb 0.56 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 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 -3.00 4.53 0.08 -1.08 1.75 -1.01 -3.98 119.30 116.59 1noe s MET 49 Ca 0.13 1.78 -0.07 0.00 -1.25 0.00 0.00 55.69 56.28 1noe s MET 49 Cb 0.18 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 34.53 1noe s MET 49 CO 0.61 -0.03 0.35 1.14 -0.65 0.00 0.00 175.02 176.44 1noe s GLN 50 N -0.13 3.65 0.19 4.11 -2.07 0.57 -4.88 119.66 121.11 1noe s GLN 50 Ca 0.52 0.00 0.10 0.00 -1.82 0.00 0.00 55.36 54.16 1noe s GLN 50 Cb -0.31 -2.96 -0.02 0.00 -1.09 0.00 0.00 33.01 28.63 1noe s GLN 50 CO 0.35 0.55 1.39 0.00 -1.32 0.00 0.00 175.29 176.26 1noe h ALA 51 N 3.44 0.55 -0.03 2.60 0.00 -1.97 -2.49 119.26 121.37 1noe h ALA 51 Ca -0.48 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 53.70 1noe h ALA 51 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1noe h ALA 51 CO 0.69 0.99 0.02 -0.25 0.00 0.00 0.00 179.25 180.69 1noe n ASP 52 N -3.38 3.65 -4.79 0.00 9.92 -1.26 -4.60 116.55 116.09 1noe n ASP 52 Ca 0.00 -2.15 -0.36 0.00 -0.53 0.00 0.00 54.79 51.76 1noe n ASP 52 Cb 0.82 -0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 40.57 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 -0.09 3.16 -0.92 2.24 0.00 -1.26 -4.93 121.76 119.96 1noe s ALA 53 Ca 0.01 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 1noe s ALA 53 Cb 0.01 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.82 1noe s ALA 53 CO 0.00 0.12 2.18 0.00 0.00 0.00 0.00 175.76 178.06 1noe s ALA 54 N -1.73 1.00 0.00 0.00 0.00 -1.26 -0.99 121.76 118.78 1noe s ALA 54 Ca 0.54 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1noe s ALA 54 Cb -0.17 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.34 1noe s ALA 54 CO 0.22 -5.79 0.00 0.41 0.00 0.00 0.00 175.76 170.60 1noe n GLY 55 N 6.58 1.53 3.62 0.00 0.00 -1.26 -4.96 105.19 110.69 1noe n GLY 55 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.24 0.13 -2.49 4.61 0.00 -0.16 -4.99 120.51 116.37 1noe n ALA 56 Ca 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.60 1noe n ALA 56 Cb 0.00 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.26 1noe n ALA 56 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1noe s THR 57 N -0.92 1.49 0.12 0.00 -4.23 0.64 -5.00 115.64 107.75 1noe s THR 57 Ca 0.60 -2.02 -0.29 0.00 -1.18 0.00 0.00 61.69 58.79 1noe s THR 57 Cb -0.68 -2.79 -0.07 0.00 1.34 0.00 0.00 72.50 70.30 1noe s THR 57 CO 0.59 -0.06 1.59 0.44 -0.54 0.00 0.00 174.62 176.65 1noe h ASP 58 N 2.05 -1.17 -0.60 3.99 5.19 -2.01 -2.19 116.42 121.68 1noe h ASP 58 Ca -0.41 0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.10 1noe h ASP 58 Cb 1.24 0.46 -0.03 0.00 0.18 0.00 0.00 39.33 41.18 1noe h ASP 58 CO 0.72 -0.44 0.23 -0.33 -3.12 0.00 0.00 179.24 176.30 1noe h GLU 59 N -0.55 0.91 -4.68 3.56 5.08 -1.98 -3.43 114.58 113.49 1noe h GLU 59 Ca 0.05 -0.17 -0.68 0.00 -1.00 0.00 0.00 59.36 57.56 1noe h GLU 59 Cb 0.63 -0.14 -0.36 0.00 0.50 0.00 0.00 28.75 29.37 1noe h GLU 59 CO -0.29 0.79 -0.68 -1.58 -1.00 0.00 0.00 179.01 176.24 1noe s TRP 60 N -5.51 3.52 0.28 4.33 0.52 -0.82 -0.15 118.94 121.11 1noe s TRP 60 Ca -0.13 -2.48 0.01 0.00 0.02 0.00 0.00 56.10 53.52 1noe s TRP 60 Cb 0.13 -2.66 0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1noe s TRP 60 CO 0.80 -0.91 0.06 1.17 0.02 0.00 0.00 176.95 178.09 1noe n LYS 61 N 4.46 1.26 -4.96 4.98 3.00 -0.24 -0.26 118.16 126.40 1noe n LYS 61 Ca -0.05 -1.94 -0.32 0.00 -0.00 0.00 0.00 58.31 56.00 1noe n LYS 61 Cb 0.42 0.43 -0.15 0.00 0.00 0.00 0.00 35.03 35.74 1noe n LYS 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1noe s GLY 62 N -2.64 1.46 0.00 3.14 0.00 -0.94 -0.10 107.32 108.25 1noe s GLY 62 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1noe s GLY 62 CO 0.03 -0.42 0.69 0.00 0.00 0.00 0.00 173.10 173.40 1noe n GLN 64 N 0.63 0.00 0.14 0.00 7.27 -1.26 -4.08 117.38 120.08 1noe n GLN 64 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 1noe n GLN 64 Cb 0.35 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.92 1noe n GLN 64 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1noe h LEU 65 N 0.00 -0.30 -8.16 1.69 7.12 -1.89 -3.44 115.31 110.34 1noe h LEU 65 Ca 0.00 -0.19 -0.51 0.00 0.13 0.00 0.00 57.88 57.32 1noe h LEU 65 Cb 0.00 0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 40.14 1noe h LEU 65 CO 0.00 0.04 1.70 0.49 -0.13 0.00 0.00 178.44 180.55 1noe n PHE 66 N -5.11 0.82 -2.85 1.25 3.01 -1.26 -4.84 117.46 108.49 1noe n PHE 66 Ca -0.09 0.33 -0.41 0.00 1.01 0.00 0.00 57.45 58.29 1noe n PHE 66 Cb 0.25 -2.44 -0.04 0.00 -0.01 0.00 0.00 39.48 37.24 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 8.63 4.38 -1.76 -1.08 0.04 -1.26 -3.65 135.00 140.30 1noe s PRO 67 Ca 1.26 1.13 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1noe s PRO 67 Cb -1.01 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1noe s PRO 67 CO 0.45 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1noe n GLY 68 N 3.24 -0.19 3.23 0.56 0.00 -1.26 -4.98 105.19 105.79 1noe n GLY 68 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.85 1.32 0.01 1.61 1.02 -1.24 -4.93 119.74 112.68 1noe s LYS 69 Ca 0.00 -1.71 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1noe s LYS 69 Cb 0.00 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.49 1noe s LYS 69 CO 0.00 -0.41 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.46 1noe s LEU 70 N -3.22 2.11 -0.01 3.17 1.43 -1.26 -4.82 118.68 116.08 1noe s LEU 70 Ca 0.39 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 1noe s LEU 70 Cb 0.06 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 1noe s LEU 70 CO 0.14 -0.08 -0.04 0.27 0.23 0.00 0.00 176.35 176.88 1noe s ILE 71 N -0.67 3.91 0.16 -0.59 -0.00 0.86 -2.25 121.20 122.62 1noe s ILE 71 Ca -0.04 -0.63 -0.31 0.00 -0.00 0.00 0.00 60.65 59.67 1noe s ILE 71 Cb -0.05 -2.70 -0.09 0.00 -0.00 0.00 0.00 42.46 39.61 1noe s ILE 71 CO -0.00 0.43 1.49 0.21 -0.00 0.00 0.00 174.94 177.07 1noe s ASN 72 N -1.35 6.67 0.45 4.36 3.84 -1.26 -1.07 114.94 126.57 1noe s ASN 72 Ca 0.17 2.54 0.16 0.00 0.21 0.00 0.00 52.86 55.93 1noe s ASN 72 Cb -0.11 -2.60 1.08 0.00 -0.55 0.00 0.00 41.25 39.08 1noe s ASN 72 CO 0.07 -0.75 1.97 -0.37 -2.79 0.00 0.00 177.10 175.23 1noe h VAL 73 N 4.01 0.85 -0.38 -5.21 -1.51 -0.82 0.27 116.25 113.46 1noe h VAL 73 Ca -0.43 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 1noe h VAL 73 Cb 1.21 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1noe h VAL 73 CO 0.88 0.06 0.03 0.59 -1.23 0.00 0.00 177.57 177.90 1noe n ASN 74 N -4.46 3.96 -2.36 4.19 4.13 -1.26 -0.60 115.26 118.86 1noe n ASN 74 Ca 0.11 -2.61 -0.03 0.00 1.68 0.00 0.00 54.58 53.72 1noe n ASN 74 Cb 0.44 -0.62 0.02 0.00 -1.54 0.00 0.00 39.78 38.07 1noe n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1noe n GLY 75 N 0.34 0.94 3.51 7.41 0.00 0.94 -0.43 105.19 117.89 1noe n GLY 75 Ca 0.19 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.11 -0.40 0.22 1.61 -0.00 -1.26 -0.55 118.94 118.46 1noe s TRP 76 Ca 0.09 0.38 -0.04 0.00 -0.00 0.00 0.00 56.10 56.53 1noe s TRP 76 Cb -0.01 0.51 -0.03 0.00 -0.00 0.00 0.00 33.47 33.95 1noe s TRP 76 CO 0.06 -0.54 0.24 -1.54 -0.00 0.00 0.00 176.95 175.16 1noe s SER 77 N -2.15 0.19 0.59 5.86 1.04 -1.26 -2.51 113.70 115.46 1noe s SER 77 Ca 0.02 -1.29 0.34 0.00 0.48 0.00 0.00 55.95 55.50 1noe s SER 77 Cb -0.01 0.45 1.87 0.00 0.10 0.00 0.00 66.02 68.43 1noe s SER 77 CO -0.06 -0.95 2.22 0.00 0.98 0.00 0.00 173.24 175.43 1noe h ALA 78 N 2.48 1.25 -0.78 5.32 0.00 -0.66 -2.92 119.26 123.95 1noe h ALA 78 Ca -0.33 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.06 1noe h ALA 78 Cb 1.25 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 1noe h ALA 78 CO 0.47 0.04 0.64 0.45 0.00 0.00 0.00 179.25 180.85 1noe n SER 79 N -3.49 6.20 0.00 0.00 2.88 -1.26 -4.81 113.62 113.15 1noe n SER 79 Ca -0.02 -3.42 0.00 0.00 -1.33 0.00 0.00 58.87 54.10 1noe n SER 79 Cb 0.14 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 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 -0.49 0.00 -1.52 0.66 -0.00 -1.11 -4.92 117.44 110.06 1noe n TRP 80 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.98 1noe n TRP 80 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.15 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 -0.16 -7.59 -1.65 5.87 -1.04 -1.26 -4.01 114.28 104.44 1noe n THR 81 Ca 0.00 1.58 -0.47 0.00 -2.04 0.00 0.00 64.05 63.13 1noe n THR 81 Cb 0.00 -4.25 -0.04 0.00 -1.82 0.00 0.00 70.33 64.22 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 0.90 2.73 -4.55 -4.42 -0.00 -1.26 -0.86 117.00 109.54 1noe n LEU 82 Ca 0.00 1.12 -0.35 0.00 -0.00 0.00 0.00 56.01 56.78 1noe n LEU 82 Cb 0.00 -1.37 -0.04 0.00 -0.00 0.00 0.00 43.42 42.01 1noe n LEU 82 CO 0.00 -0.57 1.99 1.17 -0.00 0.00 0.00 177.39 179.97 1noe n LYS 83 N 2.60 0.93 0.00 1.96 4.81 0.77 -4.41 118.16 124.82 1noe n LYS 83 Ca 0.15 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1noe n LYS 83 Cb 0.28 -3.33 0.00 0.00 0.02 0.00 0.00 35.03 32.00 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 15.77 0.00 0.00 3.14 0.00 -1.26 -4.92 120.51 133.24 1noe n ALA 84 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1noe n ALA 84 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91