#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs2 s GLN 2 N 0.00 2.95 -0.06 2.12 -2.07 -1.20 -4.87 119.66 116.53 3hs2 s GLN 2 Ca 0.00 1.61 0.01 0.00 -1.82 0.00 0.00 55.36 55.16 3hs2 s GLN 2 Cb 0.00 -1.95 0.02 0.00 -1.09 0.00 0.00 33.01 29.99 3hs2 s GLN 2 CO 0.00 -1.17 -0.08 0.45 -1.32 0.00 0.00 175.29 173.17 3hs2 s SER 3 N -2.02 1.53 0.07 12.60 0.15 -1.26 -1.28 113.70 123.49 3hs2 s SER 3 Ca 0.72 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 57.15 3hs2 s SER 3 Cb -0.25 -0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 63.35 3hs2 s SER 3 CO 0.35 -0.03 -0.06 0.27 1.20 0.00 0.00 173.24 174.97 3hs2 s ILE 4 N 0.95 0.52 0.78 6.45 -4.36 0.00 -4.98 121.20 120.57 3hs2 s ILE 4 Ca -0.10 -1.57 -0.09 0.00 -0.26 0.00 0.00 60.65 58.64 3hs2 s ILE 4 Cb -0.15 -1.21 0.11 0.00 1.25 0.00 0.00 42.46 42.46 3hs2 s ILE 4 CO 0.00 -0.72 1.11 0.54 0.24 0.00 0.00 174.94 176.12 3hs2 s ASN 5 N -2.45 4.31 0.12 4.36 2.20 -1.26 -0.60 114.94 121.62 3hs2 s ASN 5 Ca 0.02 0.34 -0.20 0.00 -0.94 0.00 0.00 52.86 52.08 3hs2 s ASN 5 Cb -0.00 -0.79 -0.04 0.00 -2.00 0.00 0.00 41.25 38.42 3hs2 s ASN 5 CO -0.04 -1.94 1.74 0.15 -2.94 0.00 0.00 177.10 174.07 3hs2 h PHE 6 N -0.90 0.06 -0.38 1.54 3.57 -1.67 -2.20 116.94 116.96 3hs2 h PHE 6 Ca -0.43 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.10 3hs2 h PHE 6 Cb 1.29 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 3hs2 h PHE 6 CO -0.09 0.02 0.22 0.00 -2.23 0.00 0.00 178.31 176.23 3hs2 h ARG 7 N 0.11 0.43 -0.84 1.11 3.08 -1.94 -0.38 114.38 115.96 3hs2 h ARG 7 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3hs2 h ARG 7 Cb 0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3hs2 h ARG 7 CO -0.11 0.29 0.49 1.15 -1.07 0.00 0.00 179.97 180.72 3hs2 h THR 8 N 0.45 1.24 -0.15 2.04 2.02 -1.91 -1.46 112.91 115.15 3hs2 h THR 8 Ca 0.15 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3hs2 h THR 8 Cb 0.02 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 3hs2 h THR 8 CO -0.08 0.25 0.03 0.00 0.37 0.00 0.00 175.52 176.10 3hs2 h ALA 9 N 1.26 0.19 -0.89 6.16 0.00 -0.96 -0.97 119.26 124.05 3hs2 h ALA 9 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hs2 h ALA 9 Cb -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3hs2 h ALA 9 CO -0.05 -0.17 0.56 -0.09 0.00 0.00 0.00 179.25 179.49 3hs2 h ARG 10 N 0.04 1.20 0.00 0.00 2.43 -0.86 0.22 114.38 117.41 3hs2 h ARG 10 Ca 0.05 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3hs2 h ARG 10 Cb 0.26 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3hs2 h ARG 10 CO 0.00 0.83 -0.33 0.41 -1.51 0.00 0.00 179.97 179.36 3hs2 n GLY 11 N -1.30 -1.48 1.06 2.80 0.00 -0.57 -3.92 105.19 101.78 3hs2 n GLY 11 Ca 0.10 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3hs2 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hs2 n ASN 12 N -1.95 1.31 -0.36 1.61 4.13 -0.38 -4.92 115.26 114.71 3hs2 n ASN 12 Ca 0.05 -2.85 0.05 0.00 1.68 0.00 0.00 54.58 53.51 3hs2 n ASN 12 Cb 0.40 -0.40 0.21 0.00 -1.54 0.00 0.00 39.78 38.45 3hs2 n ASN 12 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3hs2 h LEU 13 N 0.96 0.94 0.30 3.41 5.85 -0.68 -2.00 115.31 124.08 3hs2 h LEU 13 Ca -0.12 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3hs2 h LEU 13 Cb 1.48 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3hs2 h LEU 13 CO 0.05 0.54 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.25 3hs2 h SER 14 N 1.04 -0.38 -0.02 1.25 0.87 -1.91 -1.38 113.55 113.02 3hs2 h SER 14 Ca 0.47 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.97 3hs2 h SER 14 Cb 0.37 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3hs2 h SER 14 CO -0.23 -0.26 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.29 3hs2 h GLU 15 N -0.43 0.38 -0.50 2.24 3.07 -1.90 -1.49 114.58 115.94 3hs2 h GLU 15 Ca -0.04 -0.12 0.03 0.00 -0.50 0.00 0.00 59.36 58.74 3hs2 h GLU 15 Cb 0.33 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 3hs2 h GLU 15 CO 0.06 0.56 0.28 0.28 -1.40 0.00 0.00 179.01 178.78 3hs2 h VAL 16 N 0.34 1.00 -0.28 3.13 2.07 -1.12 -0.06 116.25 121.33 3hs2 h VAL 16 Ca 0.06 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 3hs2 h VAL 16 Cb 0.53 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hs2 h VAL 16 CO 0.04 0.10 -0.24 -0.07 0.02 0.00 0.00 177.57 177.41 3hs2 h LEU 17 N 0.55 0.54 -0.75 2.57 3.38 -0.77 -1.03 115.31 119.79 3hs2 h LEU 17 Ca 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hs2 h LEU 17 Cb 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hs2 h LEU 17 CO -0.12 0.78 0.34 0.78 0.09 0.00 0.00 178.44 180.31 3hs2 h ASN 18 N 0.47 1.00 -0.54 -0.43 2.35 -0.84 -0.14 115.58 117.45 3hs2 h ASN 18 Ca 0.07 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3hs2 h ASN 18 Cb 0.68 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3hs2 h ASN 18 CO 0.05 0.87 0.27 0.78 -1.65 0.00 0.00 177.43 177.75 3hs2 h ASN 19 N 1.07 0.70 -0.38 5.81 2.35 -0.59 -1.81 115.58 122.73 3hs2 h ASN 19 Ca 0.26 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3hs2 h ASN 19 Cb 0.15 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3hs2 h ASN 19 CO -0.03 0.62 0.15 0.58 -1.65 0.00 0.00 177.43 177.10 3hs2 h VAL 20 N 0.73 1.20 -0.03 2.81 2.07 -0.87 -2.24 116.25 119.92 3hs2 h VAL 20 Ca 0.19 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3hs2 h VAL 20 Cb 0.10 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3hs2 h VAL 20 CO -0.03 0.22 -0.10 -0.08 0.02 0.00 0.00 177.57 177.61 3hs2 h GLU 21 N 0.47 0.04 0.00 1.57 4.81 -0.95 -1.63 114.58 118.90 3hs2 h GLU 21 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hs2 h GLU 21 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3hs2 h GLU 21 CO -0.01 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.41 3hs2 h ALA 22 N 1.86 1.00 0.00 2.92 0.00 -0.75 -3.45 119.26 120.84 3hs2 h ALA 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hs2 h ALA 22 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hs2 h ALA 22 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3hs2 n GLY 23 N -0.03 0.92 3.92 0.00 0.00 -0.62 -5.10 105.19 104.29 3hs2 n GLY 23 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3hs2 n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hs2 s GLU 24 N 0.00 3.47 -0.16 1.61 -1.05 -0.96 -5.02 118.70 116.59 3hs2 s GLU 24 Ca 0.00 -0.43 -0.06 0.00 -0.15 0.00 0.00 54.97 54.34 3hs2 s GLU 24 Cb 0.00 -2.97 -0.04 0.00 -0.44 0.00 0.00 34.13 30.68 3hs2 s GLU 24 CO 0.00 0.54 0.04 -1.21 0.95 0.00 0.00 175.26 175.58 3hs2 s GLU 25 N -2.82 3.71 -0.11 -4.83 0.41 -1.26 -4.17 118.70 109.62 3hs2 s GLU 25 Ca 0.36 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.58 3hs2 s GLU 25 Cb -0.12 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 29.15 3hs2 s GLU 25 CO 0.28 0.39 -0.19 0.08 -0.49 0.00 0.00 175.26 175.33 3hs2 s VAL 26 N 0.02 1.74 -0.08 2.63 1.01 -0.76 -3.26 120.40 121.71 3hs2 s VAL 26 Ca 0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3hs2 s VAL 26 Cb -0.12 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3hs2 s VAL 26 CO 0.01 0.49 0.50 -0.70 0.00 0.00 0.00 175.10 175.40 3hs2 s GLU 27 N 0.81 4.29 -0.26 2.72 2.12 -0.41 -0.78 118.70 127.20 3hs2 s GLU 27 Ca -0.09 0.52 -0.05 0.00 0.36 0.00 0.00 54.97 55.71 3hs2 s GLU 27 Cb -0.16 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.85 3hs2 s GLU 27 CO 0.00 0.26 0.01 0.42 -0.54 0.00 0.00 175.26 175.41 3hs2 s ILE 28 N 0.26 3.54 0.09 -3.70 1.01 0.06 -0.82 121.20 121.64 3hs2 s ILE 28 Ca 0.27 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3hs2 s ILE 28 Cb -0.16 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 3hs2 s ILE 28 CO 0.12 0.23 0.29 0.42 0.00 0.00 0.00 174.94 176.00 3hs2 s THR 29 N 1.46 5.29 -0.04 2.92 -4.23 0.23 -1.26 115.64 120.00 3hs2 s THR 29 Ca 0.03 -0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.38 3hs2 s THR 29 Cb -0.16 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.09 3hs2 s THR 29 CO -0.01 0.12 0.07 -0.60 -0.54 0.00 0.00 174.62 173.67 3hs2 s ARG 30 N -2.48 -0.04 -0.13 3.99 3.52 -1.26 -1.65 118.95 120.90 3hs2 s ARG 30 Ca 0.37 0.37 -0.35 0.00 -0.13 0.00 0.00 55.73 55.98 3hs2 s ARG 30 Cb -0.13 -0.39 -0.12 0.00 -1.56 0.00 0.00 34.95 32.75 3hs2 s ARG 30 CO 0.25 -0.28 1.87 2.89 -0.81 0.00 0.00 175.30 179.22 3hs2 n ARG 31 N 4.98 1.99 -1.08 5.12 1.85 -1.26 -0.82 116.66 127.44 3hs2 n ARG 31 Ca -0.11 0.73 -0.03 0.00 -1.00 0.00 0.00 57.85 57.45 3hs2 n ARG 31 Cb 0.50 -2.56 -0.01 0.00 -1.05 0.00 0.00 32.46 29.34 3hs2 n ARG 31 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hs2 n GLY 32 N 4.43 0.60 3.14 2.89 0.00 -1.26 -5.02 105.19 109.97 3hs2 n GLY 32 Ca 0.24 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 3hs2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hs2 s ARG 33 N -1.89 0.78 0.28 1.61 1.81 -0.00 -5.14 118.95 116.39 3hs2 s ARG 33 Ca 0.00 -1.32 -0.29 0.00 -1.72 0.00 0.00 55.73 52.40 3hs2 s ARG 33 Cb 0.00 0.05 -0.10 0.00 -0.45 0.00 0.00 34.95 34.45 3hs2 s ARG 33 CO 0.00 -0.11 1.22 -1.21 -0.68 0.00 0.00 175.30 174.52 3hs2 s GLU 34 N -3.92 4.48 0.43 3.54 0.41 -1.26 -4.46 118.70 117.92 3hs2 s GLU 34 Ca 0.13 2.00 -0.24 0.00 -0.41 0.00 0.00 54.97 56.45 3hs2 s GLU 34 Cb 0.07 -3.15 -0.08 0.00 -1.78 0.00 0.00 34.13 29.19 3hs2 s GLU 34 CO -0.05 -0.04 1.18 -1.25 -0.49 0.00 0.00 175.26 174.61 3hs2 s PRO 35 N -1.23 3.90 0.35 0.39 0.04 -1.26 -4.71 135.00 132.48 3hs2 s PRO 35 Ca 0.49 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.44 3hs2 s PRO 35 Cb -0.36 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 3hs2 s PRO 35 CO 0.44 -0.45 0.29 0.00 0.04 0.00 0.00 177.00 177.33 3hs2 s ALA 36 N -1.47 3.85 0.02 8.56 0.00 -0.39 -4.96 121.76 127.37 3hs2 s ALA 36 Ca 0.60 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.87 3hs2 s ALA 36 Cb -0.30 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 3hs2 s ALA 36 CO 0.37 -0.04 -0.10 0.54 0.00 0.00 0.00 175.76 176.53 3hs2 s VAL 37 N -2.36 0.78 -0.12 0.00 0.11 -1.26 -0.76 120.40 116.79 3hs2 s VAL 37 Ca 0.42 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 3hs2 s VAL 37 Cb -0.05 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3hs2 s VAL 37 CO 0.26 0.00 -0.23 -0.51 -3.33 0.00 0.00 175.10 171.30 3hs2 s ILE 38 N -0.66 2.04 0.03 7.04 2.07 0.04 -4.98 121.20 126.78 3hs2 s ILE 38 Ca -0.00 -0.98 -0.05 0.00 -1.41 0.00 0.00 60.65 58.21 3hs2 s ILE 38 Cb -0.06 -1.78 -0.01 0.00 0.13 0.00 0.00 42.46 40.73 3hs2 s ILE 38 CO 0.00 0.55 0.08 0.54 -1.91 0.00 0.00 174.94 174.20 3hs2 s VAL 39 N 0.61 0.13 0.51 4.00 0.11 -1.26 -1.82 120.40 122.69 3hs2 s VAL 39 Ca -0.12 -1.09 -0.21 0.00 -2.93 0.00 0.00 61.98 57.62 3hs2 s VAL 39 Cb -0.17 -0.84 -0.07 0.00 -1.53 0.00 0.00 36.38 33.77 3hs2 s VAL 39 CO 0.03 -0.60 1.04 -1.54 -3.33 0.00 0.00 175.10 170.69 3hs2 n SER 40 N 0.85 1.27 -0.19 3.54 3.41 -1.26 -4.79 113.62 116.45 3hs2 n SER 40 Ca -0.19 0.93 -0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3hs2 n SER 40 Cb 0.58 -1.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.15 3hs2 n SER 40 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hs2 h LYS 41 N 1.11 0.80 -0.45 4.33 3.64 -1.99 -1.14 116.57 122.87 3hs2 h LYS 41 Ca -0.47 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 58.77 3hs2 h LYS 41 Cb 1.34 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3hs2 h LYS 41 CO 0.54 0.70 0.29 0.00 -2.27 0.00 0.00 179.45 178.72 3hs2 h ALA 42 N 1.06 0.58 -0.55 5.00 0.00 -1.99 -0.51 119.26 122.84 3hs2 h ALA 42 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hs2 h ALA 42 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hs2 h ALA 42 CO -0.01 0.01 0.26 1.15 0.00 0.00 0.00 179.25 180.66 3hs2 h THR 43 N 0.60 1.20 -0.38 0.00 2.02 -1.86 -1.81 112.91 112.68 3hs2 h THR 43 Ca 0.17 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3hs2 h THR 43 Cb -0.05 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3hs2 h THR 43 CO -0.05 0.23 0.22 0.15 0.37 0.00 0.00 175.52 176.45 3hs2 h PHE 44 N 0.75 0.51 -0.55 3.16 3.57 -0.85 -2.23 116.94 121.30 3hs2 h PHE 44 Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hs2 h PHE 44 Cb 0.13 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3hs2 h PHE 44 CO -0.00 0.38 0.16 0.93 -2.23 0.00 0.00 178.31 177.55 3hs2 h GLU 45 N 0.50 0.86 -0.11 1.11 4.39 -0.96 -0.77 114.58 119.60 3hs2 h GLU 45 Ca 0.14 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.68 3hs2 h GLU 45 Cb 0.03 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 3hs2 h GLU 45 CO -0.02 0.80 -0.15 0.00 -1.16 0.00 0.00 179.01 178.47 3hs2 h ALA 46 N 1.03 -0.08 -0.52 3.43 0.00 -1.18 -0.25 119.26 121.69 3hs2 h ALA 46 Ca 0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3hs2 h ALA 46 Cb 0.31 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hs2 h ALA 46 CO -0.00 -0.61 0.20 1.88 0.00 0.00 0.00 179.25 180.72 3hs2 h TYR 47 N -0.20 0.80 -0.71 0.00 -1.99 -1.21 -1.50 116.97 112.17 3hs2 h TYR 47 Ca 0.09 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3hs2 h TYR 47 Cb 0.32 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3hs2 h TYR 47 CO -0.26 0.67 0.37 -0.22 -0.00 0.00 0.00 178.16 178.72 3hs2 h LYS 48 N 0.70 1.00 -0.45 4.88 3.64 -0.95 -0.62 116.57 124.77 3hs2 h LYS 48 Ca 0.17 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3hs2 h LYS 48 Cb 0.22 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hs2 h LYS 48 CO -0.01 0.76 -0.06 0.87 -2.27 0.00 0.00 179.45 178.74 3hs2 h LYS 49 N 0.98 0.83 0.00 1.90 1.57 -0.81 -0.44 116.57 120.61 3hs2 h LYS 49 Ca 0.25 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3hs2 h LYS 49 Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3hs2 h LYS 49 CO -0.04 0.92 -0.36 0.00 -0.57 0.00 0.00 179.45 179.40 3hs2 h ALA 50 N 0.88 1.33 -0.07 3.86 0.00 -1.09 0.00 119.26 124.17 3hs2 h ALA 50 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3hs2 h ALA 50 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hs2 h ALA 50 CO 0.04 0.45 -0.34 0.00 0.00 0.00 0.00 179.25 179.40 3hs2 h ALA 51 N 1.64 0.14 -0.26 0.00 0.00 -0.83 -3.02 119.26 116.93 3hs2 h ALA 51 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hs2 h ALA 51 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hs2 h ALA 51 CO 0.05 0.21 0.16 -0.07 0.00 0.00 0.00 179.25 179.60 3hs2 h LEU 52 N -0.12 0.31 -2.10 0.00 3.38 -0.91 -1.01 115.31 114.86 3hs2 h LEU 52 Ca -0.02 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hs2 h LEU 52 Cb 0.98 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hs2 h LEU 52 CO 0.07 0.26 0.09 0.44 0.09 0.00 0.00 178.44 179.39 3hs2 h ASP 53 N 0.34 0.00 0.07 -0.43 3.32 -1.05 1.62 116.42 120.29 3hs2 h ASP 53 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3hs2 h ASP 53 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hs2 h ASP 53 CO -0.02 0.00 -0.76 0.00 -1.72 0.00 0.00 179.24 176.74 3hs2 h ALA 54 N 1.93 0.06 0.00 3.45 0.00 -1.35 -3.41 119.26 119.94 3hs2 h ALA 54 Ca 0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 3hs2 h ALA 54 Cb 0.23 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hs2 h ALA 54 CO -0.00 0.41 -0.21 1.05 0.00 0.00 0.00 179.25 180.50 3hs2 h GLU 55 N -0.66 0.00 0.00 0.00 -0.00 -0.77 -3.52 114.58 109.64 3hs2 h GLU 55 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 3hs2 h GLU 55 Cb 1.41 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.16 3hs2 h GLU 55 CO 0.02 0.08 0.00 1.19 -0.00 0.00 0.00 179.01 180.30