#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or1 h ILE 2 N 0.00 0.67 -0.18 -1.33 2.10 -1.82 -3.15 117.51 113.80 2or1 h ILE 2 Ca 0.00 -2.18 -0.15 0.00 1.08 0.00 0.00 64.86 63.61 2or1 h ILE 2 Cb 0.00 2.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 2or1 h ILE 2 CO 0.00 0.38 -0.52 0.77 -1.08 0.00 0.00 178.15 177.70 2or1 h SER 3 N 0.00 0.56 0.00 2.19 4.64 -1.83 -2.71 113.55 116.40 2or1 h SER 3 Ca -0.13 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2or1 h SER 3 Cb 1.59 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2or1 h SER 3 CO 0.06 0.98 -0.19 -1.28 -0.87 0.00 0.00 176.83 175.52 2or1 h SER 4 N 0.39 0.00 -0.78 4.97 0.87 -1.78 -3.21 113.55 114.02 2or1 h SER 4 Ca 0.01 -0.31 0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2or1 h SER 4 Cb 1.05 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.87 2or1 h SER 4 CO 0.10 0.76 -0.24 0.54 -0.53 0.00 0.00 176.83 177.46 2or1 n ARG 5 N -4.68 -0.11 0.03 2.24 1.74 -1.19 0.60 116.66 115.28 2or1 n ARG 5 Ca -0.07 1.21 -0.12 0.00 -0.77 0.00 0.00 57.85 58.10 2or1 n ARG 5 Cb 0.23 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.82 2or1 n ARG 5 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2or1 h VAL 6 N 0.00 0.22 -1.00 1.55 2.07 -1.61 0.32 116.25 117.80 2or1 h VAL 6 Ca 0.33 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 2or1 h VAL 6 Cb 0.53 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 2or1 h VAL 6 CO -0.79 0.00 0.64 0.50 0.02 0.00 0.00 177.57 177.94 2or1 h LYS 7 N -0.48 1.04 -0.06 1.57 3.64 0.15 1.15 116.57 123.59 2or1 h LYS 7 Ca 0.07 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2or1 h LYS 7 Cb 0.60 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2or1 h LYS 7 CO -0.34 0.69 -0.32 0.66 -2.27 0.00 0.00 179.45 177.88 2or1 h SER 8 N 1.08 0.38 -0.05 4.20 4.64 -1.07 -3.06 113.55 119.67 2or1 h SER 8 Ca 0.46 -0.66 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2or1 h SER 8 Cb 0.33 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 2or1 h SER 8 CO -0.22 0.98 -0.27 0.50 -0.87 0.00 0.00 176.83 176.95 2or1 h LYS 9 N -0.19 -0.37 0.00 4.77 3.64 0.85 0.15 116.57 125.42 2or1 h LYS 9 Ca -0.02 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2or1 h LYS 9 Cb 0.98 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2or1 h LYS 9 CO 0.07 -0.25 0.05 -2.13 -2.27 0.00 0.00 179.45 174.92 2or1 n ARG 10 N -5.38 0.00 -0.10 1.90 0.63 0.39 -1.50 116.66 112.58 2or1 n ARG 10 Ca -0.04 0.44 -0.17 0.00 -0.92 0.00 0.00 57.85 57.15 2or1 n ARG 10 Cb 0.30 -1.55 -0.13 0.00 0.45 0.00 0.00 32.46 31.53 2or1 n ARG 10 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2or1 n ILE 11 N -1.44 1.53 0.11 5.15 5.41 0.43 -3.07 119.36 127.49 2or1 n ILE 11 Ca 0.00 -0.62 0.01 0.00 1.00 0.00 0.00 62.75 63.14 2or1 n ILE 11 Cb 0.05 -1.36 0.06 0.00 -0.71 0.00 0.00 39.64 37.68 2or1 n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2or1 n GLN 12 N -3.24 0.04 -0.01 0.38 6.02 -0.57 0.18 117.38 120.19 2or1 n GLN 12 Ca -0.42 0.18 0.04 0.00 -0.01 0.00 0.00 57.00 56.79 2or1 n GLN 12 Cb 1.02 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.82 2or1 n GLN 12 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2or1 n LEU 13 N -1.20 1.71 0.00 1.08 4.32 -1.16 -4.99 117.00 116.77 2or1 n LEU 13 Ca 0.01 -1.09 0.00 0.00 -0.02 0.00 0.00 56.01 54.92 2or1 n LEU 13 Cb 0.01 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2or1 n LEU 13 CO 0.01 0.36 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 2or1 n GLY 14 N 0.40 2.56 3.60 -0.72 0.00 0.46 -4.99 105.19 106.50 2or1 n GLY 14 Ca 0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.54 2or1 n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2or1 n LEU 15 N 0.00 1.62 -4.93 0.99 4.77 -1.17 -4.92 117.00 113.35 2or1 n LEU 15 Ca 0.00 1.12 -0.27 0.00 -0.03 0.00 0.00 56.01 56.83 2or1 n LEU 15 Cb 0.00 -1.17 0.10 0.00 -2.33 0.00 0.00 43.42 40.01 2or1 n LEU 15 CO 0.00 -1.04 0.68 0.54 -1.33 0.00 0.00 177.39 176.24 2or1 s ASN 16 N 0.71 4.43 0.42 -1.43 2.20 -1.26 -4.55 114.94 115.46 2or1 s ASN 16 Ca 0.86 0.38 0.08 0.00 -0.94 0.00 0.00 52.86 53.24 2or1 s ASN 16 Cb -0.98 -0.87 0.89 0.00 -2.00 0.00 0.00 41.25 38.29 2or1 s ASN 16 CO 0.49 -1.86 2.07 1.56 -2.94 0.00 0.00 177.10 176.41 2or1 h GLN 17 N -0.83 0.50 0.00 3.55 7.50 -1.93 -2.20 115.11 121.69 2or1 h GLN 17 Ca -0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 58.67 2or1 h GLN 17 Cb 1.30 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.71 2or1 h GLN 17 CO 0.55 0.33 -0.06 0.00 -1.50 0.00 0.00 178.83 178.15 2or1 h ALA 18 N 1.76 1.81 0.00 3.87 0.00 -1.92 -2.86 119.26 121.92 2or1 h ALA 18 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2or1 h ALA 18 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2or1 h ALA 18 CO -0.03 0.08 -1.25 0.39 0.00 0.00 0.00 179.25 178.44 2or1 n GLU 19 N -4.34 0.62 0.23 0.00 1.02 -0.86 -3.15 120.64 114.16 2or1 n GLU 19 Ca -0.03 0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 2or1 n GLU 19 Cb 0.15 -1.79 -0.08 0.00 -0.02 0.00 0.00 31.44 29.69 2or1 n GLU 19 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2or1 h LEU 20 N 0.00 -0.46 -0.08 -4.62 5.85 -1.36 -2.26 115.31 112.38 2or1 h LEU 20 Ca -0.07 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2or1 h LEU 20 Cb 1.24 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2or1 h LEU 20 CO 0.02 -0.28 -0.03 0.00 -0.34 0.00 0.00 178.44 177.80 2or1 h ALA 21 N -0.02 0.04 -0.97 1.25 0.00 -1.64 -1.54 119.26 116.38 2or1 h ALA 21 Ca -0.06 0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.27 2or1 h ALA 21 Cb 0.45 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.15 2or1 h ALA 21 CO 0.09 -0.50 0.43 0.94 0.00 0.00 0.00 179.25 180.21 2or1 n GLN 22 N -5.15 -0.06 0.06 0.00 -0.06 -1.01 0.05 117.38 111.20 2or1 n GLN 22 Ca -0.05 1.37 -0.21 0.00 -2.00 0.00 0.00 57.00 56.11 2or1 n GLN 22 Cb 0.08 -2.40 -0.12 0.00 -4.06 0.00 0.00 30.24 23.75 2or1 n GLN 22 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2or1 h LYS 23 N 0.00 0.62 0.00 3.69 1.57 -0.81 -3.15 116.57 118.48 2or1 h LYS 23 Ca 0.78 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2or1 h LYS 23 Cb 2.01 0.23 0.00 0.00 0.08 0.00 0.00 32.23 34.55 2or1 h LYS 23 CO -0.78 1.32 0.00 0.28 -0.57 0.00 0.00 179.45 179.70 2or1 h VAL 24 N 0.24 0.00 -2.97 0.50 2.07 0.43 -3.48 116.25 113.04 2or1 h VAL 24 Ca -0.15 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2or1 h VAL 24 Cb 1.73 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2or1 h VAL 24 CO 0.20 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2or1 n GLY 25 N 0.64 -0.40 3.60 2.17 0.00 0.11 -4.97 105.19 106.33 2or1 n GLY 25 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 2or1 n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2or1 s THR 26 N -2.42 0.00 1.07 2.61 -1.32 -1.12 -5.03 115.64 109.43 2or1 s THR 26 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 2or1 s THR 26 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2or1 s THR 26 CO 0.00 0.00 -0.62 0.35 -2.21 0.00 0.00 174.62 172.14 2or1 n THR 27 N 0.07 0.00 0.05 5.08 -2.24 -1.26 -4.18 114.28 111.80 2or1 n THR 27 Ca -0.01 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2or1 n THR 27 Cb 0.58 -0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 2or1 n THR 27 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2or1 h GLN 28 N -1.67 0.00 0.59 -0.78 -0.00 -1.90 -3.27 115.11 108.08 2or1 h GLN 28 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.16 2or1 h GLN 28 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.81 2or1 h GLN 28 CO 0.30 0.72 -0.46 1.96 0.00 0.00 0.00 178.83 181.35 2or1 h GLN 29 N 0.00 -0.98 -1.00 1.69 7.50 -1.95 -2.28 115.11 118.10 2or1 h GLN 29 Ca -0.09 0.07 0.18 0.00 0.50 0.00 0.00 58.65 59.31 2or1 h GLN 29 Cb 1.74 0.22 -0.11 0.00 0.05 0.00 0.00 27.48 29.39 2or1 h GLN 29 CO 0.10 -0.65 0.60 0.77 -1.50 0.00 0.00 178.83 178.15 2or1 h SER 30 N -1.01 0.78 -0.16 1.46 0.02 -1.94 0.49 113.55 113.18 2or1 h SER 30 Ca -0.08 0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2or1 h SER 30 Cb 0.84 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2or1 h SER 30 CO 0.02 0.28 -0.32 0.40 -1.14 0.00 0.00 176.83 176.07 2or1 h ILE 31 N 0.77 1.28 0.00 3.27 1.08 -1.58 -3.09 117.51 119.24 2or1 h ILE 31 Ca 0.57 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 2or1 h ILE 31 Cb 0.87 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2or1 h ILE 31 CO -0.38 0.47 0.00 1.21 -0.69 0.00 0.00 178.15 178.76 2or1 n GLU 32 N -4.07 0.00 -0.25 2.37 0.00 0.16 -2.74 120.64 116.11 2or1 n GLU 32 Ca -0.01 0.36 0.25 0.00 0.00 0.00 0.00 57.16 57.76 2or1 n GLU 32 Cb 0.48 -1.34 0.46 0.00 0.00 0.00 0.00 31.44 31.05 2or1 n GLU 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2or1 n GLN 33 N -1.54 -0.05 0.40 5.31 6.02 -0.27 0.17 117.38 127.42 2or1 n GLN 33 Ca 0.00 1.08 -0.16 0.00 -0.01 0.00 0.00 57.00 57.92 2or1 n GLN 33 Cb 0.00 -1.95 -0.07 0.00 1.02 0.00 0.00 30.24 29.24 2or1 n GLN 33 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2or1 h LEU 34 N 0.00 -0.87 -0.71 1.08 5.85 -1.44 0.19 115.31 119.40 2or1 h LEU 34 Ca 0.67 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.58 2or1 h LEU 34 Cb 1.77 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 42.91 2or1 h LEU 34 CO -0.60 -0.61 0.07 -0.33 -0.34 0.00 0.00 178.44 176.63 2or1 h GLU 35 N -1.01 0.16 0.00 1.25 5.08 -0.07 -0.00 114.58 119.98 2or1 h GLU 35 Ca -0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2or1 h GLU 35 Cb 0.78 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2or1 h GLU 35 CO 0.16 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.37 2or1 n ASN 36 N -5.26 0.00 0.00 1.42 3.02 -0.45 -4.46 115.26 109.53 2or1 n ASN 36 Ca 0.13 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2or1 n ASN 36 Cb 0.44 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2or1 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2or1 n GLY 37 N -0.57 0.46 1.83 7.41 0.00 -0.01 -4.94 105.19 109.36 2or1 n GLY 37 Ca 0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2or1 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2or1 n LYS 38 N -2.98 2.89 -3.64 1.61 5.02 0.58 -4.89 118.16 116.75 2or1 n LYS 38 Ca 0.00 -3.07 -0.03 0.00 -2.02 0.00 0.00 58.31 53.19 2or1 n LYS 38 Cb 0.00 -2.11 -0.07 0.00 -0.02 0.00 0.00 35.03 32.84 2or1 n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2or1 s THR 39 N -3.12 0.00 -0.15 -0.18 -4.23 -1.25 -4.87 115.64 101.85 2or1 s THR 39 Ca 0.53 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 61.22 2or1 s THR 39 Cb 0.44 -1.00 -0.25 0.00 1.34 0.00 0.00 72.50 73.03 2or1 s THR 39 CO 0.10 0.00 0.27 0.29 -0.54 0.00 0.00 174.62 174.74 2or1 n LYS 40 N 3.57 0.67 -3.01 3.99 4.76 -1.26 -4.75 118.16 122.13 2or1 n LYS 40 Ca -0.18 0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.12 2or1 n LYS 40 Cb 0.57 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 2or1 n LYS 40 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2or1 n ARG 41 N -2.73 0.68 -1.68 1.97 1.74 -1.26 -5.02 116.66 110.36 2or1 n ARG 41 Ca -0.25 -2.57 -0.57 0.00 -0.77 0.00 0.00 57.85 53.69 2or1 n ARG 41 Cb 1.04 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 31.04 2or1 n ARG 41 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2or1 n PRO 42 N 1.73 0.98 0.32 5.56 -0.04 -1.26 -4.76 135.00 137.53 2or1 n PRO 42 Ca 0.17 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 2or1 n PRO 42 Cb 0.57 -2.00 0.68 0.00 -0.04 0.00 0.00 33.50 32.70 2or1 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2or1 h ARG 43 N 6.17 0.00 -0.54 0.54 3.08 -2.02 0.57 114.38 122.18 2or1 h ARG 43 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2or1 h ARG 43 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2or1 h ARG 43 CO 0.91 0.00 0.00 1.97 -1.07 0.00 0.00 179.97 181.78 2or1 n PHE 44 N -2.78 0.82 -0.35 3.04 1.16 -1.26 -4.55 117.46 113.53 2or1 n PHE 44 Ca -0.02 -0.36 0.37 0.00 -1.87 0.00 0.00 57.45 55.57 2or1 n PHE 44 Cb 0.46 -0.09 0.74 0.00 -1.61 0.00 0.00 39.48 38.98 2or1 n PHE 44 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 2or1 h LEU 45 N 2.76 0.00 0.00 5.98 5.85 -0.17 1.04 115.31 130.76 2or1 h LEU 45 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2or1 h LEU 45 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2or1 h LEU 45 CO 0.08 0.00 -0.78 -2.65 -0.34 0.00 0.00 178.44 174.75 2or1 n PRO 46 N -3.99 0.17 0.13 5.25 -0.02 -1.26 -3.15 135.00 132.13 2or1 n PRO 46 Ca 0.28 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2or1 n PRO 46 Cb 1.38 -1.57 0.03 0.00 -0.02 0.00 0.00 33.50 33.31 2or1 n PRO 46 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2or1 h GLU 47 N 0.00 0.00 0.00 -0.52 3.07 0.75 -3.25 114.58 114.63 2or1 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2or1 h GLU 47 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2or1 h GLU 47 CO 0.00 0.29 -1.14 1.47 -1.40 0.00 0.00 179.01 178.22 2or1 n LEU 48 N -3.05 0.58 0.12 1.33 -0.00 -0.73 -3.53 117.00 111.72 2or1 n LEU 48 Ca -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 56.01 56.03 2or1 n LEU 48 Cb 0.69 -0.08 0.10 0.00 -0.00 0.00 0.00 43.42 44.13 2or1 n LEU 48 CO 0.40 0.00 0.42 0.00 -0.00 0.00 0.00 177.39 178.21 2or1 h ALA 49 N 2.39 0.75 0.80 1.47 0.00 -1.59 -2.24 119.26 120.84 2or1 h ALA 49 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2or1 h ALA 49 Cb 0.80 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2or1 h ALA 49 CO 0.00 0.83 -0.49 0.77 0.00 0.00 0.00 179.25 180.36 2or1 h SER 50 N 0.00 -1.25 0.00 0.00 0.02 -1.64 0.57 113.55 111.25 2or1 h SER 50 Ca -0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2or1 h SER 50 Cb 1.30 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2or1 h SER 50 CO 0.09 -0.76 0.00 0.00 -1.14 0.00 0.00 176.83 175.02 2or1 n ALA 51 N -2.73 -0.01 -0.02 3.77 0.00 -1.22 0.65 120.51 120.95 2or1 n ALA 51 Ca -0.15 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.53 2or1 n ALA 51 Cb 0.51 0.35 0.71 0.00 0.00 0.00 0.00 19.45 21.02 2or1 n ALA 51 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2or1 h LEU 52 N 0.00 0.00 -1.25 0.00 3.38 -1.40 -3.44 115.31 112.60 2or1 h LEU 52 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2or1 h LEU 52 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 2or1 h LEU 52 CO 0.00 0.00 -0.35 0.61 0.09 0.00 0.00 178.44 178.79 2or1 n GLY 53 N -1.57 0.16 3.47 0.83 0.00 0.21 -5.04 105.19 103.25 2or1 n GLY 53 Ca 0.12 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 2or1 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2or1 s VAL 54 N -3.16 1.28 -0.12 1.61 -7.23 -0.56 -5.01 120.40 107.22 2or1 s VAL 54 Ca 0.18 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2or1 s VAL 54 Cb -0.08 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2or1 s VAL 54 CO 0.35 0.00 0.13 -0.94 -0.31 0.00 0.00 175.10 174.33 2or1 s SER 55 N -3.52 6.27 0.17 4.85 1.04 -1.26 -4.37 113.70 116.88 2or1 s SER 55 Ca 0.36 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 2or1 s SER 55 Cb 0.09 -2.02 0.36 0.00 0.10 0.00 0.00 66.02 64.55 2or1 s SER 55 CO 0.16 0.40 0.88 0.52 0.98 0.00 0.00 173.24 176.18 2or1 n VAL 56 N 2.06 -0.24 0.00 5.02 0.31 -1.26 -0.98 118.33 123.24 2or1 n VAL 56 Ca -0.20 1.27 0.00 0.00 -0.01 0.00 0.00 64.34 65.40 2or1 n VAL 56 Cb 0.55 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2or1 n VAL 56 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2or1 n ASP 57 N -4.80 0.00 -0.21 4.52 10.43 -1.26 0.65 116.55 125.89 2or1 n ASP 57 Ca 0.11 0.82 0.12 0.00 2.57 0.00 0.00 54.79 58.41 2or1 n ASP 57 Cb 0.37 -0.32 0.22 0.00 1.84 0.00 0.00 41.12 43.23 2or1 n ASP 57 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 2or1 n TRP 58 N -1.83 0.47 0.09 1.24 -0.00 -0.15 0.25 117.44 117.50 2or1 n TRP 58 Ca 0.00 0.73 -0.13 0.00 -0.00 0.00 0.00 57.50 58.10 2or1 n TRP 58 Cb 0.00 -1.00 -0.08 0.00 -0.00 0.00 0.00 31.31 30.22 2or1 n TRP 58 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2or1 h LEU 59 N 0.00 -0.19 0.28 5.87 3.38 -1.15 0.91 115.31 124.41 2or1 h LEU 59 Ca 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2or1 h LEU 59 Cb 0.91 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2or1 h LEU 59 CO -0.54 0.14 -0.16 -0.07 0.09 0.00 0.00 178.44 177.90 2or1 h LEU 60 N -0.54 -0.38 -0.64 1.67 3.38 0.91 -3.34 115.31 116.37 2or1 h LEU 60 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2or1 h LEU 60 Cb 0.41 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2or1 h LEU 60 CO 0.04 -0.26 -0.40 -0.46 0.09 0.00 0.00 178.44 177.45 2or1 n ASN 61 N -5.28 1.32 0.00 -0.43 2.04 -0.24 -4.64 115.26 108.03 2or1 n ASN 61 Ca -0.09 -1.16 0.00 0.00 -0.44 0.00 0.00 54.58 52.89 2or1 n ASN 61 Cb 0.19 0.60 0.00 0.00 -2.53 0.00 0.00 39.78 38.05 2or1 n ASN 61 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2or1 n GLY 62 N 1.16 0.56 2.23 4.83 0.00 0.31 -5.01 105.19 109.26 2or1 n GLY 62 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2or1 n GLY 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73