#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 -0.57 -4.79 0.00 3.41 -1.26 -4.99 113.62 105.42 1noe n SER 1 Ca 0.00 0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 58.89 1noe n SER 1 Cb 0.00 -1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 62.63 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 -1.87 2.90 0.53 7.33 0.00 -1.26 -5.04 121.76 124.34 1noe s ALA 2 Ca 0.68 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1noe s ALA 2 Cb -0.35 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1noe s ALA 2 CO 0.55 -0.32 0.93 -1.25 0.00 0.00 0.00 175.76 175.67 1noe s PRO 3 N -3.12 3.72 0.39 0.00 0.04 -1.26 -4.94 135.00 129.83 1noe s PRO 3 Ca 0.66 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.51 1noe s PRO 3 Cb -0.18 -2.21 1.03 0.00 0.04 0.00 0.00 34.50 33.18 1noe s PRO 3 CO 0.21 -0.32 1.82 0.00 0.04 0.00 0.00 177.00 178.75 1noe h ALA 4 N 0.41 2.12 -0.90 8.56 0.00 -2.02 0.18 119.26 127.61 1noe h ALA 4 Ca -0.46 0.04 -0.62 0.00 0.00 0.00 0.00 54.91 53.87 1noe h ALA 4 Cb 1.19 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 1noe h ALA 4 CO 0.62 -0.45 -0.03 0.27 0.00 0.00 0.00 179.25 179.67 1noe n ASN 5 N -4.57 6.20 -4.58 0.00 6.94 -1.26 -5.00 115.26 112.98 1noe n ASN 5 Ca 0.21 -3.77 -0.49 0.00 -0.02 0.00 0.00 54.58 50.51 1noe n ASN 5 Cb 0.72 -0.64 -0.04 0.00 -2.36 0.00 0.00 39.78 37.45 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 -0.78 -0.86 -1.68 -2.53 0.00 0.05 -0.48 120.51 114.23 1noe n ALA 6 Ca 0.52 0.47 -0.50 0.00 0.00 0.00 0.00 53.44 53.93 1noe n ALA 6 Cb 0.80 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 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 1.59 0.37 -1.95 0.00 0.31 0.50 -4.74 118.33 114.39 1noe n VAL 7 Ca 0.15 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 1noe n VAL 7 Cb 0.24 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 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 3.03 3.73 0.41 3.52 0.00 -1.26 -4.89 121.76 126.30 1noe s ALA 8 Ca 0.90 1.28 0.16 0.00 0.00 0.00 0.00 51.96 54.30 1noe s ALA 8 Cb -0.78 -3.65 1.03 0.00 0.00 0.00 0.00 23.12 19.73 1noe s ALA 8 CO 0.51 -0.90 1.88 0.00 0.00 0.00 0.00 175.76 177.25 1noe h ALA 9 N 7.42 2.11 -0.43 0.00 0.00 -1.94 -0.31 119.26 126.11 1noe h ALA 9 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1noe h ALA 9 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1noe h ALA 9 CO 0.92 -0.36 0.00 -3.47 0.00 0.00 0.00 179.25 176.34 1noe n ASP 10 N -4.50 3.65 -4.74 0.00 2.03 -1.26 -3.76 116.55 107.97 1noe n ASP 10 Ca 0.17 -2.41 -0.41 0.00 0.52 0.00 0.00 54.79 52.66 1noe n ASP 10 Cb 0.59 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.69 6.86 0.39 1.67 -1.08 -0.13 -4.84 116.67 118.86 1noe s ASP 11 Ca 0.35 2.45 0.22 0.00 -0.52 0.00 0.00 52.55 55.05 1noe s ASP 11 Cb 0.24 -2.61 1.23 0.00 -1.46 0.00 0.00 42.92 40.32 1noe s ASP 11 CO 0.15 -0.55 1.67 0.00 0.52 0.00 0.00 175.17 176.96 1noe h ALA 12 N 5.22 2.33 0.02 3.66 0.00 -1.90 0.46 119.26 129.06 1noe h ALA 12 Ca -0.45 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1noe h ALA 12 Cb 1.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1noe h ALA 12 CO 0.77 -0.91 -0.01 1.15 0.00 0.00 0.00 179.25 180.25 1noe h THR 13 N 0.23 1.18 -0.29 0.00 2.02 -1.94 -0.11 112.91 114.01 1noe h THR 13 Ca 0.74 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1noe h THR 13 Cb 2.01 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 1noe h THR 13 CO -0.47 0.16 0.12 0.00 0.37 0.00 0.00 175.52 175.69 1noe h ALA 14 N 0.67 1.66 0.47 6.16 0.00 -0.47 0.23 119.26 127.99 1noe h ALA 14 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1noe h ALA 14 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1noe h ALA 14 CO 0.01 0.27 -0.23 0.82 0.00 0.00 0.00 179.25 180.12 1noe h ILE 15 N 0.40 0.00 -0.57 0.00 2.04 -0.60 0.48 117.51 119.28 1noe h ILE 15 Ca 0.10 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1noe h ILE 15 Cb 0.08 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.11 1noe h ILE 15 CO -0.01 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.39 1noe h ALA 16 N -1.52 0.73 0.00 1.87 0.00 -0.80 -0.18 119.26 119.37 1noe h ALA 16 Ca -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1noe h ALA 16 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1noe h ALA 16 CO 0.11 -0.12 -0.17 -0.07 0.00 0.00 0.00 179.25 179.00 1noe h LEU 17 N 0.48 0.00 -2.05 0.00 -0.00 -1.03 -3.48 115.31 109.23 1noe h LEU 17 Ca 0.27 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.94 1noe h LEU 17 Cb 0.24 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 41.03 1noe h LEU 17 CO -0.22 0.17 -0.55 0.29 -0.00 0.00 0.00 178.44 178.13 1noe n LYS 18 N -3.39 -3.54 -1.99 1.13 5.02 -0.08 -0.21 118.16 115.10 1noe n LYS 18 Ca -0.00 0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 56.46 1noe n LYS 18 Cb 0.36 -4.69 -0.02 0.00 -0.02 0.00 0.00 35.03 30.66 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 -3.25 2.95 -0.18 2.13 6.14 0.01 -4.15 117.35 121.00 1noe s TYR 19 Ca 0.10 1.10 0.04 0.00 0.64 0.00 0.00 57.07 58.96 1noe s TYR 19 Cb -0.01 -3.84 -0.04 0.00 0.42 0.00 0.00 41.96 38.49 1noe s TYR 19 CO 0.50 -2.62 0.16 -1.71 0.64 0.00 0.00 175.55 172.53 1noe n ASN 20 N 1.77 0.22 0.00 4.32 5.15 -1.05 -4.90 115.26 120.76 1noe n ASN 20 Ca 0.05 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 1noe n ASN 20 Cb 0.40 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.65 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 -1.10 0.00 -3.56 1.20 7.27 -1.26 -4.79 117.38 115.14 1noe n GLN 21 Ca 0.01 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.67 1noe n GLN 21 Cb 0.06 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.60 1noe n GLN 21 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1noe s ASP 22 N 0.00 5.87 0.32 1.69 -1.08 -1.26 -2.32 116.67 119.88 1noe s ASP 22 Ca 0.00 -0.74 0.05 0.00 -0.52 0.00 0.00 52.55 51.34 1noe s ASP 22 Cb 0.00 -2.08 0.54 0.00 -1.46 0.00 0.00 42.92 39.91 1noe s ASP 22 CO 0.00 -0.33 1.80 0.00 0.52 0.00 0.00 175.17 177.16 1noe h ALA 23 N 8.48 1.25 -0.68 3.66 0.00 -0.88 0.56 119.26 131.65 1noe h ALA 23 Ca -0.29 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1noe h ALA 23 Cb 1.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1noe h ALA 23 CO 0.67 0.49 0.27 1.79 0.00 0.00 0.00 179.25 182.47 1noe h THR 24 N 0.38 1.23 0.00 0.00 1.35 -1.94 -2.62 112.91 111.31 1noe h THR 24 Ca 0.07 -0.74 -0.15 0.00 -0.55 0.00 0.00 66.41 65.04 1noe h THR 24 Cb 0.54 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1noe h THR 24 CO 0.04 0.30 -0.84 0.11 -0.25 0.00 0.00 175.52 174.88 1noe h LYS 25 N 0.98 0.00 -6.19 4.72 1.57 -1.92 -3.48 116.57 112.25 1noe h LYS 25 Ca 0.23 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.41 1noe h LYS 25 Cb 0.19 0.00 0.18 0.00 0.08 0.00 0.00 32.23 32.68 1noe h LYS 25 CO -0.02 0.57 -0.86 0.45 -0.57 0.00 0.00 179.45 179.02 1noe n SER 26 N -3.18 -2.65 0.09 0.86 2.88 0.17 -4.87 113.62 106.92 1noe n SER 26 Ca -0.01 0.69 0.06 0.00 -1.33 0.00 0.00 58.87 58.28 1noe n SER 26 Cb 0.81 -0.97 0.31 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 0.91 0.07 -0.35 -1.46 0.00 -1.26 -3.64 120.64 114.92 1noe n GLU 27 Ca 0.09 0.57 0.14 0.00 0.00 0.00 0.00 57.16 57.96 1noe n GLU 27 Cb 0.47 -1.74 0.27 0.00 0.00 0.00 0.00 31.44 30.44 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 -1.90 -0.08 -0.21 3.44 1.85 -1.26 -0.29 116.66 118.21 1noe n ARG 28 Ca -0.01 1.50 0.01 0.00 -1.00 0.00 0.00 57.85 58.35 1noe n ARG 28 Cb 0.02 -2.36 0.11 0.00 -1.05 0.00 0.00 32.46 29.18 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 0.50 -0.01 8.89 2.07 -1.88 0.24 116.25 126.06 1noe h VAL 29 Ca 0.58 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 67.90 1noe h VAL 29 Cb 1.17 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1noe h VAL 29 CO -0.95 0.03 -0.59 0.00 0.02 0.00 0.00 177.57 176.08 1noe h ALA 30 N 1.56 0.08 -0.17 1.67 0.00 -0.94 -3.34 119.26 118.11 1noe h ALA 30 Ca 0.33 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1noe h ALA 30 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1noe h ALA 30 CO -0.52 0.35 0.11 0.00 0.00 0.00 0.00 179.25 179.19 1noe h ALA 31 N 0.33 0.22 -6.17 0.00 0.00 -0.42 -3.48 119.26 109.74 1noe h ALA 31 Ca -0.07 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1noe h ALA 31 Cb 1.30 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1noe h ALA 31 CO 0.12 -0.27 -0.85 0.00 0.00 0.00 0.00 179.25 178.25 1noe n ALA 32 N -2.16 -2.62 -1.33 0.00 0.00 0.77 -4.97 120.51 110.21 1noe n ALA 32 Ca -0.04 0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 1noe n ALA 32 Cb 0.05 -1.99 0.09 0.00 0.00 0.00 0.00 19.45 17.60 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 -3.30 2.14 0.00 0.00 3.00 -1.26 -4.98 118.95 114.55 1noe s ARG 33 Ca 0.19 1.68 0.00 0.00 0.00 0.00 0.00 55.73 57.59 1noe s ARG 33 Cb -0.03 -1.84 0.00 0.00 0.00 0.00 0.00 34.95 33.08 1noe s ARG 33 CO 0.84 -1.81 0.00 -0.35 0.00 0.00 0.00 175.30 173.98 1noe n PRO 34 N -2.82 -0.34 0.00 3.54 -0.04 -1.26 -4.48 135.00 129.61 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 0.51 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 3.19 1.89 3.08 0.55 0.00 -1.26 -4.69 105.19 107.95 1noe n GLY 35 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 1.80 0.57 0.99 2.96 -1.26 -5.06 118.68 118.68 1noe s LEU 36 Ca 0.00 -0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 53.35 1noe s LEU 36 Cb 0.00 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 1noe s LEU 36 CO 0.00 -0.39 1.15 -2.16 -1.32 0.00 0.00 176.35 173.63 1noe s PRO 37 N -1.74 3.18 0.28 0.98 0.04 -1.26 -4.77 135.00 131.71 1noe s PRO 37 Ca -0.12 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1noe s PRO 37 Cb -0.06 -1.98 0.68 0.00 0.04 0.00 0.00 34.50 33.18 1noe s PRO 37 CO -0.01 -1.00 1.70 -1.00 0.04 0.00 0.00 177.00 176.73 1noe h PRO 38 N 0.97 0.38 -0.93 0.56 0.13 -1.86 0.19 132.00 131.43 1noe h PRO 38 Ca -0.50 -0.02 0.22 0.00 -0.87 0.00 0.00 66.00 64.83 1noe h PRO 38 Cb 1.27 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1noe h PRO 38 CO 0.56 0.25 0.62 1.05 -0.23 0.00 0.00 178.00 180.25 1noe h GLU 39 N 0.39 0.34 -1.02 0.86 4.11 -1.91 0.12 114.58 117.48 1noe h GLU 39 Ca 0.54 -0.02 -0.50 0.00 0.07 0.00 0.00 59.36 59.45 1noe h GLU 39 Cb 0.99 -0.08 -0.28 0.00 0.50 0.00 0.00 28.75 29.89 1noe h GLU 39 CO -0.52 0.23 0.63 0.39 0.07 0.00 0.00 179.01 179.81 1noe n GLU 40 N -4.50 2.21 -4.35 1.06 1.02 0.65 -4.87 120.64 111.86 1noe n GLU 40 Ca 0.20 -2.78 -0.33 0.00 -0.02 0.00 0.00 57.16 54.23 1noe n GLU 40 Cb 0.76 -2.09 -0.15 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.08 3.21 0.22 3.49 -0.21 0.43 -4.81 119.66 118.92 1noe s GLN 41 Ca 0.53 -0.74 -0.14 0.00 0.02 0.00 0.00 55.36 55.03 1noe s GLN 41 Cb 0.44 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.77 1noe s GLN 41 CO 0.08 -0.05 0.48 -3.38 -2.12 0.00 0.00 175.29 170.30 1noe s HIS 42 N 1.00 0.17 0.30 0.91 -3.43 -1.26 -4.85 115.29 108.13 1noe s HIS 42 Ca -0.02 -0.54 0.06 0.00 -0.80 0.00 0.00 55.06 53.77 1noe s HIS 42 Cb -0.15 0.25 0.77 0.00 -1.43 0.00 0.00 32.58 32.03 1noe s HIS 42 CO -0.03 -0.94 1.74 0.00 -2.00 0.00 0.00 174.74 173.51 1noe h ALA 44 N 1.68 2.46 -0.23 0.00 0.00 -1.28 -0.04 119.26 121.85 1noe h ALA 44 Ca 0.59 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1noe h ALA 44 Cb 1.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1noe h ALA 44 CO -0.44 -0.93 0.00 0.09 0.00 0.00 0.00 179.25 177.96 1noe n ASN 45 N -4.61 2.83 -4.75 0.00 3.02 0.67 -4.99 115.26 107.43 1noe n ASN 45 Ca 0.29 -1.90 -0.40 0.00 -0.03 0.00 0.00 54.58 52.55 1noe n ASN 45 Cb 1.08 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 40.06 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 5.47 -0.05 0.00 0.00 -0.00 -0.90 -3.08 115.11 116.55 1noe h GLN 47 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1noe h GLN 47 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.70 1noe h GLN 47 CO 0.70 -0.04 0.00 0.74 0.00 0.00 0.00 178.83 180.23 1noe h PHE 48 N -0.06 0.00 -1.39 3.99 0.04 -1.84 -3.46 116.94 114.22 1noe h PHE 48 Ca 0.03 0.00 -0.76 0.00 2.80 0.00 0.00 57.97 60.05 1noe h PHE 48 Cb 0.10 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.26 1noe h PHE 48 CO -0.14 0.00 0.93 -0.12 -0.60 0.00 0.00 178.31 178.38 1noe n MET 49 N -2.61 0.96 -0.51 1.51 1.56 -1.16 -4.59 117.12 112.27 1noe n MET 49 Ca 0.03 0.35 -0.30 0.00 -0.27 0.00 0.00 57.70 57.50 1noe n MET 49 Cb 0.34 -2.03 0.28 0.00 2.15 0.00 0.00 33.22 33.96 1noe n MET 49 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1noe s GLN 50 N 3.76 -2.36 0.00 2.12 -0.21 0.54 -4.99 119.66 118.51 1noe s GLN 50 Ca 1.01 0.22 0.00 0.00 0.02 0.00 0.00 55.36 56.61 1noe s GLN 50 Cb -1.13 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 31.44 1noe s GLN 50 CO 0.67 -4.52 0.00 0.00 -2.12 0.00 0.00 175.29 169.32 1noe n ALA 51 N -5.39 1.45 -1.59 6.09 0.00 -1.26 -4.32 120.51 115.48 1noe n ALA 51 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1noe n ALA 51 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1noe n ALA 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1noe n ASP 52 N -2.23 7.74 -4.88 0.00 2.03 -1.26 -4.66 116.55 113.29 1noe n ASP 52 Ca 0.00 -2.77 -0.30 0.00 0.52 0.00 0.00 54.79 52.24 1noe n ASP 52 Cb 0.00 -1.52 -0.01 0.00 -0.72 0.00 0.00 41.12 38.87 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 1.42 3.24 -0.86 -1.67 0.00 -1.26 -4.94 121.76 117.69 1noe s ALA 53 Ca 0.61 -0.20 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 1noe s ALA 53 Cb 0.17 -2.86 -0.14 0.00 0.00 0.00 0.00 23.12 20.30 1noe s ALA 53 CO -0.07 -0.37 2.29 0.00 0.00 0.00 0.00 175.76 177.61 1noe s ALA 54 N -2.79 0.82 0.00 0.00 0.00 -1.26 -0.67 121.76 117.86 1noe s ALA 54 Ca 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1noe s ALA 54 Cb -0.10 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1noe s ALA 54 CO 0.43 -5.89 0.00 0.41 0.00 0.00 0.00 175.76 170.71 1noe n GLY 55 N 6.71 1.09 3.67 0.00 0.00 -1.26 -4.84 105.19 110.56 1noe n GLY 55 Ca 0.45 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.89 0.94 -2.49 4.61 0.00 0.16 -5.00 120.51 117.84 1noe n ALA 56 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1noe n ALA 56 Cb 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 -0.11 0.00 -0.05 0.00 5.66 -0.14 -4.95 114.28 114.69 1noe n THR 57 Ca 0.07 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.00 1noe n THR 57 Cb 0.38 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.14 1noe n THR 57 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1noe n ASP 58 N 0.00 1.62 0.05 1.09 8.00 -1.26 -4.60 116.55 121.45 1noe n ASP 58 Ca 0.00 0.26 0.21 0.00 0.71 0.00 0.00 54.79 55.96 1noe n ASP 58 Cb 0.00 -0.59 0.74 0.00 -0.02 0.00 0.00 41.12 41.24 1noe n ASP 58 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1noe h GLU 59 N -0.65 0.00 -4.06 -1.24 5.08 -1.99 -3.40 114.58 108.32 1noe h GLU 59 Ca -0.04 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.83 1noe h GLU 59 Cb 0.72 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.60 1noe h GLU 59 CO -0.03 0.00 -0.79 -1.58 -1.00 0.00 0.00 179.01 175.61 1noe s TRP 60 N -4.78 1.16 0.41 4.33 0.52 -1.26 -0.50 118.94 118.82 1noe s TRP 60 Ca -0.05 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 55.61 1noe s TRP 60 Cb 0.17 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1noe s TRP 60 CO 0.63 -0.42 0.16 0.15 0.02 0.00 0.00 176.95 177.49 1noe s LYS 61 N 1.67 1.96 0.21 4.98 3.01 -0.68 -0.97 119.74 129.92 1noe s LYS 61 Ca 0.03 -2.20 -0.01 0.00 -1.01 0.00 0.00 55.97 52.77 1noe s LYS 61 Cb -0.13 -0.49 -0.04 0.00 -1.01 0.00 0.00 37.83 36.16 1noe s LYS 61 CO -0.06 -0.54 0.40 0.20 0.51 0.00 0.00 175.35 175.87 1noe s GLY 62 N -3.60 1.77 0.00 -3.33 0.00 -1.26 -0.11 107.32 100.78 1noe s GLY 62 Ca 0.24 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1noe s GLY 62 CO 0.16 -0.78 0.00 0.00 0.00 0.00 0.00 173.10 172.48 1noe n GLN 64 N 0.00 0.00 -0.02 0.00 7.27 -1.26 -0.34 117.38 123.04 1noe n GLN 64 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.15 1noe n GLN 64 Cb 0.00 0.00 0.43 0.00 2.41 0.00 0.00 30.24 33.08 1noe n GLN 64 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1noe n LEU 65 N -2.52 0.28 -3.63 1.69 7.99 -1.26 -4.43 117.00 115.12 1noe n LEU 65 Ca 0.00 -0.12 -0.30 0.00 -0.01 0.00 0.00 56.01 55.58 1noe n LEU 65 Cb 0.00 -0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 43.21 1noe n LEU 65 CO 0.00 0.06 0.21 0.49 -1.51 0.00 0.00 177.39 176.64 1noe n PHE 66 N -0.56 3.48 -2.37 -1.77 3.01 -1.26 -5.01 117.46 112.98 1noe n PHE 66 Ca 0.12 -3.99 -0.33 0.00 1.01 0.00 0.00 57.45 54.26 1noe n PHE 66 Cb 0.10 -0.70 -0.02 0.00 -0.01 0.00 0.00 39.48 38.84 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 -2.27 3.70 -1.98 -1.08 0.04 -1.26 -3.71 135.00 128.44 1noe s PRO 67 Ca 0.35 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1noe s PRO 67 Cb 0.09 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1noe s PRO 67 CO -0.03 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1noe n GLY 68 N -0.77 0.88 3.48 0.56 0.00 -1.26 -4.94 105.19 103.13 1noe n GLY 68 Ca 0.08 0.00 -0.14 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 -4.30 1.83 0.04 1.61 1.02 -1.24 -4.93 119.74 113.77 1noe s LYS 69 Ca 0.00 -1.70 0.03 0.00 0.02 0.00 0.00 55.97 54.32 1noe s LYS 69 Cb 0.00 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.72 1noe s LYS 69 CO 0.00 -0.75 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.06 1noe s LEU 70 N -3.21 2.19 -0.01 3.17 1.43 0.37 -4.73 118.68 117.89 1noe s LEU 70 Ca 0.30 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1noe s LEU 70 Cb 0.00 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1noe s LEU 70 CO 0.19 -0.06 0.16 0.27 0.23 0.00 0.00 176.35 177.14 1noe s ILE 71 N -1.00 5.31 0.12 -0.59 -0.00 0.84 -0.37 121.20 125.51 1noe s ILE 71 Ca -0.03 -0.20 -0.31 0.00 -0.00 0.00 0.00 60.65 60.11 1noe s ILE 71 Cb -0.08 -3.47 -0.10 0.00 -0.00 0.00 0.00 42.46 38.81 1noe s ILE 71 CO 0.01 0.33 1.75 0.21 -0.00 0.00 0.00 174.94 177.24 1noe s ASN 72 N -1.89 6.49 0.52 4.36 3.04 -1.26 -1.69 114.94 124.51 1noe s ASN 72 Ca 0.26 2.67 0.19 0.00 0.04 0.00 0.00 52.86 56.02 1noe s ASN 72 Cb -0.12 -2.57 1.29 0.00 -1.54 0.00 0.00 41.25 38.31 1noe s ASN 72 CO 0.18 -0.95 2.10 -0.37 -3.04 0.00 0.00 177.10 175.01 1noe h VAL 73 N 4.60 0.92 -0.39 -5.21 -1.51 -1.05 0.21 116.25 113.82 1noe h VAL 73 Ca -0.44 -0.01 -0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1noe h VAL 73 Cb 1.21 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1noe h VAL 73 CO 0.94 0.00 0.01 0.59 -1.23 0.00 0.00 177.57 177.88 1noe n ASN 74 N -4.49 4.17 -2.55 4.19 3.02 -1.26 -0.87 115.26 117.47 1noe n ASN 74 Ca 0.01 -2.63 -0.04 0.00 -0.03 0.00 0.00 54.58 51.89 1noe n ASN 74 Cb 0.26 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.82 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 0.41 1.18 3.44 7.41 0.00 0.73 -0.28 105.19 118.07 1noe n GLY 75 Ca 0.19 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.19 -0.51 0.29 1.61 -0.00 -1.26 -0.43 118.94 118.45 1noe s TRP 76 Ca 0.13 0.37 -0.07 0.00 -0.00 0.00 0.00 56.10 56.52 1noe s TRP 76 Cb -0.01 0.54 -0.00 0.00 -0.00 0.00 0.00 33.47 34.00 1noe s TRP 76 CO 0.09 -0.77 0.46 -1.54 -0.00 0.00 0.00 176.95 175.19 1noe s SER 77 N -2.57 0.36 0.51 5.86 1.04 -1.26 -2.53 113.70 115.11 1noe s SER 77 Ca 0.01 -1.22 -0.19 0.00 0.48 0.00 0.00 55.95 55.03 1noe s SER 77 Cb -0.01 0.61 -0.07 0.00 0.10 0.00 0.00 66.02 66.65 1noe s SER 77 CO -0.10 -1.21 1.04 0.00 0.98 0.00 0.00 173.24 173.95 1noe s ALA 78 N -3.53 2.84 -1.17 5.32 0.00 0.71 -3.33 121.76 122.60 1noe s ALA 78 Ca 0.27 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 1noe s ALA 78 Cb -0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1noe s ALA 78 CO 0.14 -0.42 0.16 0.43 0.00 0.00 0.00 175.76 176.07 1noe n SER 79 N -1.19 -4.51 0.00 0.00 7.64 -1.26 -4.88 113.62 109.41 1noe n SER 79 Ca 0.09 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1noe n SER 79 Cb 0.53 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.16 1noe n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1noe n TRP 80 N -4.05 0.00 -1.47 1.43 -0.00 -1.21 -4.94 117.44 107.19 1noe n TRP 80 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 1noe n TRP 80 Cb 0.61 -0.31 0.00 0.00 -0.00 0.00 0.00 31.31 31.61 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 -1.58 -8.46 -1.68 5.87 -1.04 -1.26 -3.59 114.28 102.54 1noe n THR 81 Ca 0.00 1.88 -0.45 0.00 -2.04 0.00 0.00 64.05 63.44 1noe n THR 81 Cb 0.00 -4.19 -0.03 0.00 -1.82 0.00 0.00 70.33 64.29 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 1.05 3.21 -4.57 -4.42 -0.00 -1.26 -0.58 117.00 110.43 1noe n LEU 82 Ca 0.00 1.11 -0.21 0.00 -0.00 0.00 0.00 56.01 56.92 1noe n LEU 82 Cb 0.00 -1.44 -0.07 0.00 -0.00 0.00 0.00 43.42 41.91 1noe n LEU 82 CO 0.00 -0.33 1.29 -0.75 -0.00 0.00 0.00 177.39 177.59 1noe s LYS 83 N 0.24 2.01 0.00 1.96 2.20 0.45 -4.44 119.74 122.16 1noe s LYS 83 Ca 0.73 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1noe s LYS 83 Cb -0.65 -4.99 0.00 0.00 -1.51 0.00 0.00 37.83 30.68 1noe s LYS 83 CO 0.44 -4.18 0.00 0.00 -0.36 0.00 0.00 175.35 171.25 1noe n ALA 84 N 16.50 0.00 0.00 3.13 0.00 -1.26 -4.91 120.51 133.97 1noe n ALA 84 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1noe n ALA 84 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91