#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p57 s PRO 5 N 0.00 3.38 0.64 3.49 0.02 -1.26 -5.01 135.00 136.26 2p57 s PRO 5 Ca 0.00 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.40 2p57 s PRO 5 Cb 0.00 -2.45 0.10 0.00 0.02 0.00 0.00 34.50 32.17 2p57 s PRO 5 CO 0.00 -1.03 0.89 0.54 -0.33 0.00 0.00 177.00 177.06 2p57 s ASN 6 N -0.71 4.75 0.25 2.53 2.20 -1.26 -4.91 114.94 117.78 2p57 s ASN 6 Ca 0.67 -0.44 -0.04 0.00 -0.94 0.00 0.00 52.86 52.10 2p57 s ASN 6 Cb -0.43 -0.09 0.39 0.00 -2.00 0.00 0.00 41.25 39.12 2p57 s ASN 6 CO 0.53 -1.57 1.83 0.50 -2.94 0.00 0.00 177.10 175.45 2p57 h LYS 7 N -0.20 0.87 -0.29 3.55 3.11 -1.95 -1.24 116.57 120.42 2p57 h LYS 7 Ca -0.36 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.34 2p57 h LYS 7 Cb 1.28 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 2p57 h LYS 7 CO 0.42 0.57 -0.19 1.15 -2.81 0.00 0.00 179.45 178.60 2p57 h THR 8 N 0.90 1.30 -0.19 1.00 2.02 -1.98 -0.02 112.91 115.94 2p57 h THR 8 Ca 0.40 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.28 2p57 h THR 8 Cb 0.29 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2p57 h THR 8 CO -0.22 0.42 0.11 -0.33 0.37 0.00 0.00 175.52 175.88 2p57 h GLU 9 N 0.39 0.23 0.37 6.66 5.08 -1.87 0.25 114.58 125.70 2p57 h GLU 9 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2p57 h GLU 9 Cb 0.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2p57 h GLU 9 CO 0.05 0.15 -0.23 0.82 -1.00 0.00 0.00 179.01 178.80 2p57 h ILE 10 N 0.24 0.51 -0.52 3.13 2.04 -1.19 -1.96 117.51 119.76 2p57 h ILE 10 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2p57 h ILE 10 Cb -0.01 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2p57 h ILE 10 CO -0.03 0.00 0.33 1.56 0.00 0.00 0.00 178.15 180.00 2p57 h GLN 11 N -0.59 0.69 -0.46 2.37 7.50 -0.87 -1.56 115.11 122.20 2p57 h GLN 11 Ca -0.04 -0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.08 2p57 h GLN 11 Cb 0.49 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.83 2p57 h GLN 11 CO 0.04 0.48 0.27 1.15 -1.50 0.00 0.00 178.83 179.26 2p57 h THR 12 N 0.69 1.04 -0.12 -0.54 2.02 -0.49 -1.45 112.91 114.07 2p57 h THR 12 Ca 0.19 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2p57 h THR 12 Cb -0.05 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2p57 h THR 12 CO -0.04 0.10 0.05 0.25 0.37 0.00 0.00 175.52 176.25 2p57 h LEU 13 N 0.53 0.16 -1.21 2.58 5.85 -1.14 -2.66 115.31 119.41 2p57 h LEU 13 Ca 0.18 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2p57 h LEU 13 Cb 0.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2p57 h LEU 13 CO -0.09 0.25 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.71 2p57 h PHE 14 N 0.05 0.20 -0.49 1.25 0.04 -1.14 -1.19 116.94 115.67 2p57 h PHE 14 Ca 0.04 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.82 2p57 h PHE 14 Cb 0.14 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 2p57 h PHE 14 CO -0.02 0.45 0.22 0.87 -0.60 0.00 0.00 178.31 179.23 2p57 h LYS 15 N 0.16 0.42 0.07 1.51 6.56 -1.17 0.17 116.57 124.29 2p57 h LYS 15 Ca 0.02 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2p57 h LYS 15 Cb 0.59 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2p57 h LYS 15 CO 0.04 0.28 -0.05 0.00 -2.06 0.00 0.00 179.45 177.67 2p57 h ARG 16 N 0.44 -0.11 -0.55 3.15 3.08 -1.06 -2.42 114.38 116.90 2p57 h ARG 16 Ca 0.22 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 2p57 h ARG 16 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2p57 h ARG 16 CO -0.18 -0.08 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.52 2p57 h LEU 17 N -0.12 0.98 -0.11 3.04 3.38 -0.95 -2.55 115.31 118.99 2p57 h LEU 17 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2p57 h LEU 17 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2p57 h LEU 17 CO 0.00 1.07 0.00 0.54 0.09 0.00 0.00 178.44 180.14 2p57 n ARG 18 N -4.16 0.20 0.19 1.13 1.74 0.57 -2.55 116.66 113.79 2p57 n ARG 18 Ca 0.02 0.21 0.14 0.00 -0.77 0.00 0.00 57.85 57.45 2p57 n ARG 18 Cb 0.37 -1.76 0.42 0.00 -1.02 0.00 0.00 32.46 30.47 2p57 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2p57 h ALA 19 N 2.56 1.00 -2.32 7.54 0.00 -0.99 -3.41 119.26 123.63 2p57 h ALA 19 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2p57 h ALA 19 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2p57 h ALA 19 CO 0.00 0.00 1.03 0.08 0.00 0.00 0.00 179.25 180.36 2p57 s VAL 20 N -3.32 3.48 0.32 0.00 1.01 -1.06 -4.92 120.40 115.91 2p57 s VAL 20 Ca 0.06 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.79 2p57 s VAL 20 Cb 0.09 -3.46 0.29 0.00 0.00 0.00 0.00 36.38 33.30 2p57 s VAL 20 CO 0.57 -0.04 1.89 -0.65 0.00 0.00 0.00 175.10 176.87 2p57 h PRO 21 N 8.99 0.86 0.00 2.72 0.11 -1.90 0.42 132.00 143.20 2p57 h PRO 21 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2p57 h PRO 21 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2p57 h PRO 21 CO 0.94 0.57 0.00 1.79 -0.21 0.00 0.00 178.00 181.09 2p57 h THR 22 N 0.89 0.00 -0.10 -1.15 1.35 -1.95 -1.72 112.91 110.23 2p57 h THR 22 Ca 0.41 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 2p57 h THR 22 Cb 0.40 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2p57 h THR 22 CO -0.18 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.68 2p57 n ASN 23 N -2.84 1.70 -0.84 5.36 3.02 0.14 -3.89 115.26 117.92 2p57 n ASN 23 Ca -0.01 -1.63 0.11 0.00 -0.03 0.00 0.00 54.58 53.02 2p57 n ASN 23 Cb 0.16 -0.06 0.29 0.00 -0.61 0.00 0.00 39.78 39.56 2p57 n ASN 23 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2p57 n LYS 24 N 0.33 2.10 -4.65 3.52 5.02 -0.65 -4.50 118.16 119.34 2p57 n LYS 24 Ca 0.18 -1.65 -0.25 0.00 -2.02 0.00 0.00 58.31 54.56 2p57 n LYS 24 Cb 0.36 -1.45 -0.17 0.00 -0.02 0.00 0.00 35.03 33.75 2p57 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p57 s ALA 25 N -1.69 1.34 0.17 7.82 0.00 -1.25 -1.10 121.76 127.05 2p57 s ALA 25 Ca 0.35 -0.47 -0.33 0.00 0.00 0.00 0.00 51.96 51.50 2p57 s ALA 25 Cb 0.20 -0.57 -0.15 0.00 0.00 0.00 0.00 23.12 22.60 2p57 s ALA 25 CO 0.29 0.14 1.34 0.00 0.00 0.00 0.00 175.76 177.53 2p57 h PHE 27 N 4.28 0.38 0.07 0.00 3.57 -1.59 0.60 116.94 124.26 2p57 h PHE 27 Ca -0.45 0.01 -0.35 0.00 3.53 0.00 0.00 57.97 60.71 2p57 h PHE 27 Cb 1.31 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 2p57 h PHE 27 CO 0.57 0.21 -1.98 -0.25 -2.23 0.00 0.00 178.31 174.63 2p57 n ASP 28 N -4.48 2.03 0.00 0.41 8.00 -1.26 -4.71 116.55 116.54 2p57 n ASP 28 Ca 0.06 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2p57 n ASP 28 Cb 0.24 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2p57 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p57 n GLY 30 N 0.52 1.37 3.67 0.00 0.00 0.20 -4.91 105.19 106.04 2p57 n GLY 30 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2p57 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p57 n ALA 31 N 0.57 0.87 -1.78 4.61 0.00 -1.26 -3.90 120.51 119.62 2p57 n ALA 31 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 2p57 n ALA 31 Cb 0.00 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 2p57 n ALA 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2p57 s LYS 32 N -2.57 3.81 -1.17 0.00 0.00 -1.26 0.06 119.74 118.60 2p57 s LYS 32 Ca 0.69 1.56 -0.07 0.00 0.00 0.00 0.00 55.97 58.15 2p57 s LYS 32 Cb -0.46 -2.28 -0.02 0.00 0.00 0.00 0.00 37.83 35.06 2p57 s LYS 32 CO 0.52 -0.46 0.83 0.09 0.00 0.00 0.00 175.35 176.32 2p57 n ASN 33 N -0.65 -4.10 -4.67 0.03 3.02 -0.26 -4.85 115.26 103.78 2p57 n ASN 33 Ca 0.08 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 2p57 n ASN 33 Cb 0.50 -4.37 -0.03 0.00 -0.61 0.00 0.00 39.78 35.27 2p57 n ASN 33 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2p57 s PRO 34 N -5.40 4.17 0.00 3.52 0.04 -1.26 -4.91 135.00 131.16 2p57 s PRO 34 Ca 0.27 2.40 0.12 0.00 0.04 0.00 0.00 61.00 63.83 2p57 s PRO 34 Cb -0.06 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 2p57 s PRO 34 CO 0.79 -0.84 0.68 -1.13 0.04 0.00 0.00 177.00 176.54 2p57 n SER 35 N 6.60 1.25 -4.92 6.66 3.41 -1.14 -4.62 113.62 120.86 2p57 n SER 35 Ca 0.18 -1.13 -0.28 0.00 -0.26 0.00 0.00 58.87 57.38 2p57 n SER 35 Cb 0.41 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.86 2p57 n SER 35 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2p57 s TRP 36 N -1.61 3.48 -0.03 7.33 0.52 -0.66 -0.94 118.94 127.04 2p57 s TRP 36 Ca 0.09 0.38 0.06 0.00 0.02 0.00 0.00 56.10 56.66 2p57 s TRP 36 Cb 0.10 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 2p57 s TRP 36 CO 0.32 0.38 -0.22 0.00 0.02 0.00 0.00 176.95 177.45 2p57 s ALA 37 N -1.85 1.86 -0.49 0.98 0.00 -0.40 0.14 121.76 122.00 2p57 s ALA 37 Ca 0.39 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 2p57 s ALA 37 Cb -0.11 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.57 2p57 s ALA 37 CO 0.28 0.43 0.51 0.45 0.00 0.00 0.00 175.76 177.43 2p57 s SER 38 N -0.40 6.19 0.36 0.00 0.15 -0.42 -1.27 113.70 118.30 2p57 s SER 38 Ca 0.05 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.62 2p57 s SER 38 Cb -0.10 -2.24 0.67 0.00 -1.71 0.00 0.00 66.02 62.64 2p57 s SER 38 CO 0.00 -0.77 1.98 0.40 1.20 0.00 0.00 173.24 176.06 2p57 h ILE 39 N 5.81 1.16 -1.00 6.45 2.04 -1.27 -0.58 117.51 130.12 2p57 h ILE 39 Ca -0.28 -0.41 0.20 0.00 1.00 0.00 0.00 64.86 65.36 2p57 h ILE 39 Cb 1.10 0.48 -0.11 0.00 -0.74 0.00 0.00 36.82 37.56 2p57 h ILE 39 CO 0.92 0.18 0.60 0.74 0.00 0.00 0.00 178.15 180.59 2p57 h THR 40 N 0.70 0.69 -0.01 -0.27 2.02 -1.93 -2.02 112.91 112.09 2p57 h THR 40 Ca 0.18 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2p57 h THR 40 Cb 0.03 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.32 2p57 h THR 40 CO -0.03 0.14 -0.09 -1.22 0.37 0.00 0.00 175.52 174.69 2p57 n TYR 41 N -4.78 0.00 -3.03 3.16 4.01 -0.97 -4.48 117.16 111.06 2p57 n TYR 41 Ca 0.24 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.78 2p57 n TYR 41 Cb 0.59 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.66 2p57 n TYR 41 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p57 n GLY 42 N 0.72 -0.35 3.52 2.72 0.00 -0.26 -4.59 105.19 106.95 2p57 n GLY 42 Ca 0.05 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2p57 n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p57 s VAL 43 N -3.13 2.88 -0.18 1.61 -7.23 -0.95 0.26 120.40 113.65 2p57 s VAL 43 Ca 0.32 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.48 2p57 s VAL 43 Cb -0.14 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2p57 s VAL 43 CO 0.39 -0.20 0.07 -0.36 -0.31 0.00 0.00 175.10 174.68 2p57 s PHE 44 N -1.93 3.27 0.08 2.82 0.08 -1.26 -1.30 117.98 119.73 2p57 s PHE 44 Ca 0.26 0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.49 2p57 s PHE 44 Cb -0.08 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 2p57 s PHE 44 CO 0.14 0.19 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.74 2p57 s LEU 45 N 0.27 2.25 0.92 -0.37 1.43 0.12 -1.40 118.68 121.91 2p57 s LEU 45 Ca 0.04 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 2p57 s LEU 45 Cb -0.12 -0.91 0.14 0.00 0.03 0.00 0.00 46.19 45.33 2p57 s LEU 45 CO 0.00 0.10 1.12 0.00 0.23 0.00 0.00 176.35 177.80 2p57 h ILE 47 N -1.57 1.25 -0.15 0.00 2.10 -1.96 -0.56 117.51 116.62 2p57 h ILE 47 Ca -0.51 -0.52 0.01 0.00 1.08 0.00 0.00 64.86 64.92 2p57 h ILE 47 Cb 1.32 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 2p57 h ILE 47 CO 0.60 0.25 0.07 0.44 -1.08 0.00 0.00 178.15 178.44 2p57 h ASP 48 N 1.24 0.11 0.24 2.19 3.32 -2.01 -2.56 116.42 118.95 2p57 h ASP 48 Ca 0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 2p57 h ASP 48 Cb -0.07 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2p57 h ASP 48 CO -0.06 0.09 -0.31 0.00 -1.72 0.00 0.00 179.24 177.23 2p57 h SER 50 N 0.11 0.76 -0.38 0.00 4.64 -0.74 -0.36 113.55 117.58 2p57 h SER 50 Ca 0.01 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2p57 h SER 50 Cb 0.61 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2p57 h SER 50 CO 0.04 0.46 0.18 1.23 -0.87 0.00 0.00 176.83 177.88 2p57 h GLY 51 N 0.88 0.59 0.41 -0.77 0.00 -0.93 -2.05 103.07 101.21 2p57 h GLY 51 Ca 0.39 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.51 2p57 h GLY 51 CO -0.21 0.28 0.22 -2.08 0.00 0.00 0.00 176.54 174.75 2p57 h VAL 52 N 0.48 0.78 -0.32 4.60 2.07 -0.85 -2.33 116.25 120.68 2p57 h VAL 52 Ca 0.13 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2p57 h VAL 52 Cb 0.12 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2p57 h VAL 52 CO -0.02 0.07 0.13 0.45 0.02 0.00 0.00 177.57 178.23 2p57 h HIS 53 N 0.40 0.44 -0.71 1.57 3.86 -0.79 -1.78 115.15 118.15 2p57 h HIS 53 Ca 0.30 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.60 2p57 h HIS 53 Cb 0.36 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.64 2p57 h HIS 53 CO -0.17 0.35 0.47 0.00 0.86 0.00 0.00 177.93 179.44 2p57 h ARG 54 N 0.45 0.54 0.00 2.45 3.08 -0.80 -1.69 114.38 118.41 2p57 h ARG 54 Ca 0.11 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2p57 h ARG 54 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2p57 h ARG 54 CO -0.01 0.36 -0.12 0.77 -1.07 0.00 0.00 179.97 179.89 2p57 h SER 55 N 0.55 0.00 0.37 7.04 0.02 -1.29 -2.93 113.55 117.31 2p57 h SER 55 Ca 0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2p57 h SER 55 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2p57 h SER 55 CO -0.11 0.12 -0.40 -0.07 -1.14 0.00 0.00 176.83 175.23 2p57 h LEU 56 N 0.00 0.05 0.00 5.07 3.38 -1.27 -3.50 115.31 119.05 2p57 h LEU 56 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2p57 h LEU 56 Cb 0.71 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2p57 h LEU 56 CO 0.02 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2p57 n GLY 57 N -0.33 -0.16 0.27 0.83 0.00 -1.11 -4.43 105.19 100.26 2p57 n GLY 57 Ca -0.02 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.56 2p57 n GLY 57 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2p57 h VAL 58 N 0.00 0.75 -0.03 1.61 3.04 -1.87 -0.07 116.25 119.69 2p57 h VAL 58 Ca 0.00 -0.16 -0.11 0.00 -1.01 0.00 0.00 66.70 65.42 2p57 h VAL 58 Cb 0.00 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 2p57 h VAL 58 CO 0.00 0.04 -0.50 -0.74 -1.01 0.00 0.00 177.57 175.36 2p57 h HIS 59 N 0.00 0.09 0.06 3.17 -0.00 -1.99 -3.21 115.15 113.26 2p57 h HIS 59 Ca -0.00 -0.03 -0.34 0.00 -0.00 0.00 0.00 60.37 60.01 2p57 h HIS 59 Cb 0.09 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 2p57 h HIS 59 CO 0.00 0.56 -1.92 1.28 -0.00 0.00 0.00 177.93 177.84 2p57 n LEU 60 N -3.95 1.73 -3.61 0.26 4.77 -0.25 -4.95 117.00 111.00 2p57 n LEU 60 Ca -0.02 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2p57 n LEU 60 Cb 0.52 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2p57 n LEU 60 CO 0.41 0.64 -0.01 -0.55 -1.33 0.00 0.00 177.39 176.55 2p57 s SER 61 N -6.50 -0.08 -0.46 -1.43 0.15 -0.20 -4.97 113.70 100.21 2p57 s SER 61 Ca -0.15 0.82 -0.17 0.00 0.70 0.00 0.00 55.95 57.15 2p57 s SER 61 Cb 0.07 1.21 0.05 0.00 -1.71 0.00 0.00 66.02 65.65 2p57 s SER 61 CO 0.79 -0.24 0.44 0.12 1.20 0.00 0.00 173.24 175.54 2p57 s PHE 62 N 2.57 3.19 -0.11 3.44 5.36 -1.25 -4.04 117.98 127.14 2p57 s PHE 62 Ca 0.01 -0.68 -0.09 0.00 -0.96 0.00 0.00 56.93 55.21 2p57 s PHE 62 Cb -0.13 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.41 2p57 s PHE 62 CO -0.13 -0.80 0.20 0.42 -1.46 0.00 0.00 175.22 173.46 2p57 s ILE 63 N 1.97 5.39 -0.14 3.12 -1.09 -1.26 -0.85 121.20 128.34 2p57 s ILE 63 Ca 0.08 0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 58.67 2p57 s ILE 63 Cb -0.21 -3.48 0.05 0.00 -1.58 0.00 0.00 42.46 37.23 2p57 s ILE 63 CO 0.10 0.57 0.48 -0.60 -1.23 0.00 0.00 174.94 174.26 2p57 s ARG 64 N -0.76 0.65 0.30 2.79 3.52 -0.40 -4.98 118.95 120.07 2p57 s ARG 64 Ca 0.16 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.96 2p57 s ARG 64 Cb -0.13 0.31 -0.10 0.00 -1.56 0.00 0.00 34.95 33.47 2p57 s ARG 64 CO 0.05 -0.12 1.15 0.45 -0.81 0.00 0.00 175.30 176.02 2p57 s SER 65 N -0.18 7.08 0.00 -2.12 0.15 -1.26 -1.28 113.70 116.10 2p57 s SER 65 Ca -0.04 2.37 0.27 0.00 0.70 0.00 0.00 55.95 59.25 2p57 s SER 65 Cb -0.03 -2.63 0.89 0.00 -1.71 0.00 0.00 66.02 62.53 2p57 s SER 65 CO 0.02 -0.28 1.68 0.35 1.20 0.00 0.00 173.24 176.21 2p57 n THR 66 N 0.98 0.00 -0.04 6.45 -2.24 -0.12 -3.86 114.28 115.46 2p57 n THR 66 Ca -0.00 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 2p57 n THR 66 Cb 0.44 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 2p57 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p57 n GLU 67 N -1.42 0.21 0.06 -0.78 1.02 -1.26 -4.79 120.64 113.69 2p57 n GLU 67 Ca 0.07 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 2p57 n GLU 67 Cb 0.33 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 2p57 n GLU 67 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p57 n LEU 68 N -2.91 0.61 -4.25 -4.62 4.77 -1.26 -4.88 117.00 104.46 2p57 n LEU 68 Ca -0.16 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 2p57 n LEU 68 Cb 0.65 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.53 2p57 n LEU 68 CO 0.07 -0.10 -0.52 -0.62 -1.33 0.00 0.00 177.39 174.88 2p57 s ASP 69 N -4.90 3.37 0.00 -1.43 -1.08 -1.25 -5.00 116.67 106.37 2p57 s ASP 69 Ca -0.01 -0.51 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 2p57 s ASP 69 Cb 0.11 -1.48 0.36 0.00 -1.46 0.00 0.00 42.92 40.45 2p57 s ASP 69 CO 0.82 0.13 1.28 -1.54 0.52 0.00 0.00 175.17 176.37 2p57 n SER 70 N 3.73 3.08 -0.57 -0.34 3.41 -1.26 -4.66 113.62 117.01 2p57 n SER 70 Ca -0.19 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 2p57 n SER 70 Cb 0.52 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2p57 n SER 70 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2p57 n ASN 71 N 0.93 1.09 -4.72 4.04 3.02 -1.26 -4.89 115.26 113.47 2p57 n ASN 71 Ca 0.15 -1.68 -0.42 0.00 -0.03 0.00 0.00 54.58 52.60 2p57 n ASN 71 Cb 0.48 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2p57 n ASN 71 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2p57 s TRP 72 N -0.83 3.45 0.45 3.10 0.52 -1.26 -5.05 118.94 119.32 2p57 s TRP 72 Ca 0.00 1.35 0.07 0.00 0.02 0.00 0.00 56.10 57.54 2p57 s TRP 72 Cb 0.00 -3.42 0.02 0.00 -1.15 0.00 0.00 33.47 28.92 2p57 s TRP 72 CO 0.00 -1.23 0.61 0.54 0.02 0.00 0.00 176.95 176.89 2p57 s ASN 73 N 0.73 5.58 0.17 2.95 2.20 -1.26 -4.39 114.94 120.92 2p57 s ASN 73 Ca 0.57 -0.40 -0.13 0.00 -0.94 0.00 0.00 52.86 51.96 2p57 s ASN 73 Cb -0.30 -0.63 0.08 0.00 -2.00 0.00 0.00 41.25 38.39 2p57 s ASN 73 CO 0.31 -0.84 1.80 -0.50 -2.94 0.00 0.00 177.10 174.93 2p57 h TRP 74 N 0.54 0.77 -0.38 1.54 4.06 -1.96 -1.74 115.95 118.77 2p57 h TRP 74 Ca -0.40 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.60 2p57 h TRP 74 Cb 1.28 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 29.14 2p57 h TRP 74 CO 0.39 0.54 0.08 0.35 -3.56 0.00 0.00 178.44 176.24 2p57 h PHE 75 N 0.77 0.13 -0.66 0.49 3.57 -1.96 0.11 116.94 119.38 2p57 h PHE 75 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2p57 h PHE 75 Cb 0.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2p57 h PHE 75 CO -0.02 0.02 0.36 1.96 -2.23 0.00 0.00 178.31 178.39 2p57 h GLN 76 N 0.20 0.93 -0.46 1.11 4.20 -1.85 -0.75 115.11 118.48 2p57 h GLN 76 Ca 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2p57 h GLN 76 Cb 0.21 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2p57 h GLN 76 CO -0.24 0.70 0.24 -0.07 -0.67 0.00 0.00 178.83 178.79 2p57 h LEU 77 N 0.91 0.60 -1.17 1.46 3.38 -0.92 -2.71 115.31 116.85 2p57 h LEU 77 Ca 0.23 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2p57 h LEU 77 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2p57 h LEU 77 CO -0.04 0.54 -0.01 0.03 0.09 0.00 0.00 178.44 179.06 2p57 h ARG 78 N 0.61 0.57 -0.92 1.13 2.47 -0.55 -1.92 114.38 115.76 2p57 h ARG 78 Ca 0.16 -0.13 0.12 0.00 -1.26 0.00 0.00 59.98 58.88 2p57 h ARG 78 Cb 0.09 -0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 2p57 h ARG 78 CO -0.02 0.59 0.55 0.00 0.56 0.00 0.00 179.97 181.65 2p57 h MET 80 N 0.84 1.01 -0.10 0.00 2.86 -1.18 -1.72 114.93 116.64 2p57 h MET 80 Ca 0.47 -0.26 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 2p57 h MET 80 Cb 0.52 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.06 2p57 h MET 80 CO -0.29 0.93 -0.53 0.37 1.06 0.00 0.00 176.91 178.45 2p57 h GLN 81 N 0.95 0.54 0.00 1.72 4.15 -0.80 -3.00 115.11 118.67 2p57 h GLN 81 Ca 0.19 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.17 2p57 h GLN 81 Cb 0.41 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2p57 h GLN 81 CO 0.01 1.07 0.00 1.33 -1.93 0.00 0.00 178.83 179.31 2p57 n VAL 82 N -4.21 0.66 0.00 2.39 0.24 0.12 -4.69 118.33 112.85 2p57 n VAL 82 Ca -0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2p57 n VAL 82 Cb 0.62 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2p57 n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2p57 n GLY 83 N 1.01 0.43 0.00 7.63 0.00 -0.65 -5.02 105.19 108.59 2p57 n GLY 83 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2p57 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p57 n GLY 84 N 5.00 -0.15 0.22 -0.02 0.00 0.14 -4.41 105.19 105.97 2p57 n GLY 84 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2p57 n GLY 84 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2p57 h ASN 85 N 0.00 0.67 0.04 1.61 4.21 -1.82 -2.71 115.58 117.58 2p57 h ASN 85 Ca 0.00 -0.33 -0.00 0.00 1.21 0.00 0.00 56.30 57.17 2p57 h ASN 85 Cb 0.00 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.01 2p57 h ASN 85 CO 0.00 1.05 -0.02 0.00 -1.29 0.00 0.00 177.43 177.16 2p57 h ALA 86 N 0.98 -0.06 -0.37 -0.83 0.00 -1.87 0.09 119.26 117.21 2p57 h ALA 86 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2p57 h ALA 86 Cb 1.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2p57 h ALA 86 CO 0.10 -0.52 0.13 -0.91 0.00 0.00 0.00 179.25 178.04 2p57 h ASN 87 N -0.08 0.14 -0.33 0.00 2.35 -1.76 -1.77 115.58 114.12 2p57 h ASN 87 Ca -0.01 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2p57 h ASN 87 Cb 0.07 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2p57 h ASN 87 CO 0.01 0.11 0.18 0.00 -1.65 0.00 0.00 177.43 176.09 2p57 h ALA 88 N 1.24 0.42 -0.12 -0.83 0.00 -1.28 -1.21 119.26 117.47 2p57 h ALA 88 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2p57 h ALA 88 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2p57 h ALA 88 CO -0.17 -0.06 0.06 1.15 0.00 0.00 0.00 179.25 180.23 2p57 h THR 89 N 0.41 1.00 0.02 0.00 2.02 -0.83 0.50 112.91 116.02 2p57 h THR 89 Ca 0.12 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.26 2p57 h THR 89 Cb 0.05 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2p57 h THR 89 CO -0.02 0.02 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 2p57 h ALA 90 N 1.06 -0.10 -0.39 6.16 0.00 -1.29 -2.70 119.26 121.99 2p57 h ALA 90 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2p57 h ALA 90 Cb 0.01 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2p57 h ALA 90 CO -0.03 -0.58 0.20 0.35 0.00 0.00 0.00 179.25 179.19 2p57 h PHE 91 N -0.15 0.38 0.25 0.00 3.57 -0.90 -1.52 116.94 118.56 2p57 h PHE 91 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2p57 h PHE 91 Cb 0.18 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2p57 h PHE 91 CO -0.14 0.20 -0.18 0.74 -2.23 0.00 0.00 178.31 176.71 2p57 h PHE 92 N 0.41 -0.46 -0.77 0.41 -1.00 -0.85 -0.83 116.94 113.85 2p57 h PHE 92 Ca 0.16 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 2p57 h PHE 92 Cb 0.06 0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.75 2p57 h PHE 92 CO -0.09 -0.27 0.41 0.07 -1.61 0.00 0.00 178.31 176.82 2p57 h ARG 93 N -0.43 1.07 0.00 1.51 0.11 -1.34 -0.32 114.38 114.98 2p57 h ARG 93 Ca -0.02 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2p57 h ARG 93 Cb 0.37 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2p57 h ARG 93 CO 0.00 0.79 0.00 1.96 0.10 0.00 0.00 179.97 182.82 2p57 h GLN 94 N 1.08 0.00 -0.30 0.08 4.20 -1.04 -2.48 115.11 116.64 2p57 h GLN 94 Ca 0.27 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.86 2p57 h GLN 94 Cb 0.04 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.74 2p57 h GLN 94 CO -0.04 0.00 -0.06 0.72 -0.67 0.00 0.00 178.83 178.78 2p57 n HIS 95 N -2.95 0.96 -0.55 2.96 8.25 -0.34 -4.97 115.22 118.58 2p57 n HIS 95 Ca 0.01 -1.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.09 2p57 n HIS 95 Cb 0.29 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2p57 n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p57 n GLY 96 N -0.99 0.72 3.17 -1.41 0.00 -0.93 -4.14 105.19 101.61 2p57 n GLY 96 Ca 0.29 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 2p57 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p57 n THR 98 N 4.62 1.48 -2.18 0.00 -2.24 -1.26 -2.89 114.28 111.81 2p57 n THR 98 Ca -0.13 -2.09 -0.40 0.00 -2.27 0.00 0.00 64.05 59.17 2p57 n THR 98 Cb 0.43 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2p57 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p57 s ALA 99 N -2.21 3.36 -0.13 6.98 0.00 -1.26 -4.96 121.76 123.54 2p57 s ALA 99 Ca 0.29 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.48 2p57 s ALA 99 Cb 0.28 -3.44 -0.23 0.00 0.00 0.00 0.00 23.12 19.72 2p57 s ALA 99 CO -0.03 -0.61 0.31 0.09 0.00 0.00 0.00 175.76 175.52 2p57 n ASN 100 N 0.54 1.15 -4.68 0.00 3.02 -1.26 -4.69 115.26 109.34 2p57 n ASN 100 Ca 0.02 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 2p57 n ASN 100 Cb 0.43 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2p57 n ASN 100 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2p57 s ASP 101 N -6.25 6.45 0.21 6.41 -1.08 -1.26 -4.89 116.67 116.25 2p57 s ASP 101 Ca -0.15 2.69 -0.10 0.00 -0.52 0.00 0.00 52.55 54.47 2p57 s ASP 101 Cb 0.07 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 39.15 2p57 s ASP 101 CO 0.78 -1.02 1.86 0.00 0.52 0.00 0.00 175.17 177.31 2p57 h ALA 102 N 9.53 0.93 -0.84 3.66 0.00 -1.98 0.22 119.26 130.77 2p57 h ALA 102 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2p57 h ALA 102 Cb 1.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2p57 h ALA 102 CO 0.94 0.29 0.47 -0.91 0.00 0.00 0.00 179.25 180.04 2p57 h ASN 103 N 0.94 1.05 -0.10 0.00 2.35 -1.98 -0.98 115.58 116.86 2p57 h ASN 103 Ca 0.28 -0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.75 2p57 h ASN 103 Cb -0.05 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.06 2p57 h ASN 103 CO -0.08 0.84 -0.63 0.74 -1.65 0.00 0.00 177.43 176.65 2p57 h THR 104 N 1.17 1.34 -0.40 2.81 2.02 -1.77 -2.82 112.91 115.26 2p57 h THR 104 Ca 0.30 -1.92 -0.03 0.00 0.77 0.00 0.00 66.41 65.53 2p57 h THR 104 Cb 0.02 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2p57 h THR 104 CO -0.05 0.59 0.14 0.50 0.37 0.00 0.00 175.52 177.07 2p57 h LYS 105 N 0.24 0.61 -0.00 6.66 3.64 -0.41 -2.70 116.57 124.62 2p57 h LYS 105 Ca -0.05 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2p57 h LYS 105 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2p57 h LYS 105 CO 0.13 0.60 -0.42 0.66 -2.27 0.00 0.00 179.45 178.15 2p57 n TYR 106 N -4.62 0.00 0.89 1.91 4.01 -0.39 -2.84 117.16 116.12 2p57 n TYR 106 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 2p57 n TYR 106 Cb 0.16 -0.26 0.25 0.00 -0.31 0.00 0.00 39.34 39.18 2p57 n TYR 106 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2p57 n ASN 107 N -1.42 2.71 -4.73 7.72 3.02 -1.06 -4.70 115.26 116.80 2p57 n ASN 107 Ca 0.06 -1.88 -0.33 0.00 -0.03 0.00 0.00 54.58 52.41 2p57 n ASN 107 Cb 0.34 -0.10 0.10 0.00 -0.61 0.00 0.00 39.78 39.50 2p57 n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2p57 s SER 108 N -1.76 4.16 0.26 6.41 1.04 -1.02 -4.88 113.70 117.91 2p57 s SER 108 Ca 0.34 2.19 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 2p57 s SER 108 Cb 0.21 -2.57 0.38 0.00 0.10 0.00 0.00 66.02 64.14 2p57 s SER 108 CO 0.31 -2.28 1.89 -0.09 0.98 0.00 0.00 173.24 174.05 2p57 h ARG 109 N -0.63 1.15 -0.49 4.02 2.43 -1.90 -2.29 114.38 116.67 2p57 h ARG 109 Ca -0.46 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2p57 h ARG 109 Cb 1.27 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2p57 h ARG 109 CO 0.49 0.76 0.28 0.00 -1.51 0.00 0.00 179.97 179.99 2p57 h ALA 110 N 1.44 0.63 -0.72 2.80 0.00 -1.91 -0.73 119.26 120.76 2p57 h ALA 110 Ca 0.42 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2p57 h ALA 110 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2p57 h ALA 110 CO -0.16 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.30 2p57 h ALA 111 N 1.23 1.09 -0.36 0.00 0.00 -1.67 0.72 119.26 120.27 2p57 h ALA 111 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2p57 h ALA 111 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2p57 h ALA 111 CO -0.11 0.63 0.08 1.96 0.00 0.00 0.00 179.25 181.81 2p57 h GLN 112 N 1.06 0.58 -0.43 0.00 4.20 -0.91 -0.99 115.11 118.62 2p57 h GLN 112 Ca 0.24 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 2p57 h GLN 112 Cb 0.25 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2p57 h GLN 112 CO -0.01 0.63 -0.25 0.52 -0.67 0.00 0.00 178.83 179.05 2p57 h MET 113 N 0.43 0.90 -0.48 1.46 2.86 -0.92 -3.16 114.93 116.02 2p57 h MET 113 Ca 0.11 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 57.25 2p57 h MET 113 Cb 0.32 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2p57 h MET 113 CO 0.00 1.04 -0.15 -0.92 1.06 0.00 0.00 176.91 177.94 2p57 h TYR 114 N 0.77 1.04 -0.51 -0.22 3.20 -0.51 -1.86 116.97 118.88 2p57 h TYR 114 Ca 0.10 -0.22 0.10 0.00 3.14 0.00 0.00 58.73 61.85 2p57 h TYR 114 Cb 0.81 -0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.73 2p57 h TYR 114 CO 0.05 1.00 -0.08 0.00 -1.64 0.00 0.00 178.16 177.49 2p57 h ARG 115 N 0.81 0.03 -0.24 1.82 3.08 -1.18 0.12 114.38 118.83 2p57 h ARG 115 Ca 0.12 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2p57 h ARG 115 Cb 0.70 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2p57 h ARG 115 CO 0.05 0.02 0.12 0.93 -1.07 0.00 0.00 179.97 180.03 2p57 h GLU 116 N 0.04 0.34 -0.12 0.04 5.08 -1.45 -2.02 114.58 116.48 2p57 h GLU 116 Ca 0.25 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2p57 h GLU 116 Cb 0.39 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2p57 h GLU 116 CO -0.49 0.32 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.57 2p57 h LYS 117 N 0.26 -0.03 -0.47 2.33 3.64 -0.78 -1.50 116.57 120.03 2p57 h LYS 117 Ca 0.08 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2p57 h LYS 117 Cb 0.09 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 2p57 h LYS 117 CO -0.01 -0.02 0.19 0.82 -2.27 0.00 0.00 179.45 178.15 2p57 h ILE 118 N -0.03 0.88 -0.65 2.00 1.08 -0.66 -0.71 117.51 119.42 2p57 h ILE 118 Ca 0.06 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 2p57 h ILE 118 Cb 0.13 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 2p57 h ILE 118 CO -0.14 0.07 0.37 0.03 -0.69 0.00 0.00 178.15 177.78 2p57 h ARG 119 N 0.37 0.66 0.20 2.37 3.08 -1.08 0.15 114.38 120.14 2p57 h ARG 119 Ca 0.22 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2p57 h ARG 119 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2p57 h ARG 119 CO -0.20 0.44 -0.10 1.96 -1.07 0.00 0.00 179.97 181.00 2p57 h GLN 120 N 0.68 -0.26 -0.49 0.04 7.50 -0.71 -0.33 115.11 121.55 2p57 h GLN 120 Ca 0.29 0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.42 2p57 h GLN 120 Cb 0.16 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 2p57 h GLN 120 CO -0.17 -0.03 0.17 -0.07 -1.50 0.00 0.00 178.83 177.23 2p57 h LEU 121 N -0.46 0.70 -0.86 1.46 3.38 -1.11 -0.46 115.31 117.96 2p57 h LEU 121 Ca -0.03 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2p57 h LEU 121 Cb 0.35 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2p57 h LEU 121 CO 0.05 0.70 0.57 1.23 0.09 0.00 0.00 178.44 181.08 2p57 h GLY 122 N 0.65 1.21 0.78 0.83 0.00 -0.68 -1.33 103.07 104.53 2p57 h GLY 122 Ca 0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2p57 h GLY 122 CO -0.01 0.45 -0.02 0.23 0.00 0.00 0.00 176.54 177.19 2p57 h SER 123 N 1.17 0.29 -0.18 0.19 0.87 -0.78 -2.85 113.55 112.26 2p57 h SER 123 Ca 0.32 -0.33 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2p57 h SER 123 Cb -0.13 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2p57 h SER 123 CO -0.07 0.56 0.23 0.00 -0.53 0.00 0.00 176.83 177.02 2p57 h ALA 124 N 0.74 1.75 0.00 6.23 0.00 -0.92 -2.04 119.26 125.02 2p57 h ALA 124 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2p57 h ALA 124 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2p57 h ALA 124 CO 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.94 2p57 h ALA 125 N 1.71 1.00 -2.58 0.00 0.00 -0.99 -3.46 119.26 114.94 2p57 h ALA 125 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.50 2p57 h ALA 125 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.38 2p57 h ALA 125 CO -0.00 0.00 0.44 -0.51 0.00 0.00 0.00 179.25 179.18 2p57 s LEU 126 N -5.61 4.02 0.00 0.00 1.43 -0.77 -5.09 118.68 112.66 2p57 s LEU 126 Ca 0.08 2.16 0.13 0.00 -1.03 0.00 0.00 54.13 55.47 2p57 s LEU 126 Cb 0.08 -4.28 0.78 0.00 0.03 0.00 0.00 46.19 42.80 2p57 s LEU 126 CO 0.63 -0.78 1.21 0.00 0.23 0.00 0.00 176.35 177.64