#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat s SER 2 N 0.00 6.63 0.01 1.61 1.04 -1.26 -5.09 113.70 116.65 2dat s SER 2 Ca 0.00 1.38 0.05 0.00 0.48 0.00 0.00 55.95 57.85 2dat s SER 2 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 2dat s SER 2 CO 0.00 -0.44 -0.15 -0.55 0.98 0.00 0.00 173.24 173.08 2dat s SER 3 N -2.91 1.76 0.00 7.02 0.15 -1.26 -5.10 113.70 113.36 2dat s SER 3 Ca 0.56 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dat s SER 3 Cb -0.10 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2dat s SER 3 CO 0.28 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.45 2dat n GLY 4 N 2.32 2.58 3.64 9.45 0.00 -1.26 -5.00 105.19 116.92 2dat n GLY 4 Ca -0.16 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 2dat n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 5 N 0.00 6.81 0.38 1.61 0.15 -1.26 -4.89 113.70 116.51 2dat s SER 5 Ca 0.00 1.28 0.24 0.00 0.70 0.00 0.00 55.95 58.17 2dat s SER 5 Cb 0.00 -2.54 1.36 0.00 -1.71 0.00 0.00 66.02 63.13 2dat s SER 5 CO 0.00 -0.95 1.53 -1.54 1.20 0.00 0.00 173.24 173.48 2dat n SER 6 N 7.17 0.29 0.00 5.45 3.41 -1.26 -4.67 113.62 124.01 2dat n SER 6 Ca 0.14 1.52 0.00 0.00 -0.26 0.00 0.00 58.87 60.27 2dat n SER 6 Cb 0.46 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2dat n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dat n GLY 7 N -1.34 0.40 3.42 5.00 0.00 -1.26 -5.18 105.19 106.23 2dat n GLY 7 Ca 0.38 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 2dat n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 8 N 0.00 3.28 0.30 1.61 0.01 -1.26 -5.12 113.70 112.52 2dat s SER 8 Ca 0.00 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.03 2dat s SER 8 Cb 0.00 -0.24 -0.10 0.00 0.21 0.00 0.00 66.02 65.89 2dat s SER 8 CO 0.00 0.04 1.23 -2.16 0.41 0.00 0.00 173.24 172.76 2dat s PRO 9 N -3.08 4.46 0.47 12.44 0.04 -1.26 -5.00 135.00 143.07 2dat s PRO 9 Ca 0.23 2.06 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 2dat s PRO 9 Cb -0.06 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 2dat s PRO 9 CO 0.11 -0.05 1.20 -0.80 0.04 0.00 0.00 177.00 177.50 2dat s ASN 10 N -0.57 6.05 0.96 6.66 0.01 -1.26 -5.02 114.94 121.77 2dat s ASN 10 Ca 0.48 2.39 -0.12 0.00 -0.71 0.00 0.00 52.86 54.90 2dat s ASN 10 Cb -0.37 -2.61 0.17 0.00 0.41 0.00 0.00 41.25 38.85 2dat s ASN 10 CO 0.48 -1.01 1.09 -2.16 -1.51 0.00 0.00 177.10 174.00 2dat s PRO 11 N -2.69 0.74 0.25 -0.60 0.04 -1.26 -4.85 135.00 126.63 2dat s PRO 11 Ca 0.64 0.64 0.23 0.00 0.04 0.00 0.00 61.00 62.55 2dat s PRO 11 Cb -0.31 -1.76 0.97 0.00 0.04 0.00 0.00 34.50 33.43 2dat s PRO 11 CO 0.37 -2.55 1.70 -0.35 0.04 0.00 0.00 177.00 176.21 2dat n PRO 12 N -4.07 0.18 -0.06 0.56 -0.04 -1.26 -2.22 135.00 128.09 2dat n PRO 12 Ca 0.06 0.42 -0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2dat n PRO 12 Cb 0.56 -1.86 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 2dat n PRO 12 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2dat h LYS 13 N 0.00 0.00 -0.40 0.54 1.79 -1.99 -2.85 116.57 113.66 2dat h LYS 13 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2dat h LYS 13 Cb 0.35 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2dat h LYS 13 CO 0.00 0.59 0.16 1.25 -1.08 0.00 0.00 179.45 180.37 2dat h LEU 14 N -1.00 0.55 0.42 2.94 5.85 -1.93 -2.90 115.31 119.24 2dat h LEU 14 Ca -0.02 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2dat h LEU 14 Cb 0.63 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2dat h LEU 14 CO -0.01 0.57 -0.20 0.74 -0.34 0.00 0.00 178.44 179.20 2dat h THR 15 N 0.50 0.00 -0.87 1.05 2.02 -1.61 -2.68 112.91 111.32 2dat h THR 15 Ca 0.13 -0.01 0.33 0.00 0.77 0.00 0.00 66.41 67.63 2dat h THR 15 Cb 0.20 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.45 2dat h THR 15 CO -0.01 0.00 0.33 1.17 0.37 0.00 0.00 175.52 177.37 2dat n LYS 16 N -3.51 -0.06 -0.08 6.66 4.81 -1.07 0.16 118.16 125.07 2dat n LYS 16 Ca -0.07 1.24 -0.09 0.00 -0.87 0.00 0.00 58.31 58.51 2dat n LYS 16 Cb 0.22 -2.14 -0.02 0.00 0.02 0.00 0.00 35.03 33.11 2dat n LYS 16 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2dat h GLN 17 N 0.00 0.37 0.57 1.64 5.75 -1.31 0.29 115.11 122.42 2dat h GLN 17 Ca 0.67 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 59.12 2dat h GLN 17 Cb 1.68 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 30.15 2dat h GLN 17 CO -0.72 0.26 -0.32 0.52 -2.65 0.00 0.00 178.83 175.93 2dat h MET 18 N 0.37 -0.79 -0.73 1.69 2.86 0.19 -2.36 114.93 116.16 2dat h MET 18 Ca 0.10 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.91 2dat h MET 18 Cb -0.02 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2dat h MET 18 CO -0.02 -0.53 0.48 -2.95 1.06 0.00 0.00 176.91 174.96 2dat h ASN 19 N -0.82 0.51 -0.85 1.22 7.08 -1.40 -0.62 115.58 120.70 2dat h ASN 19 Ca -0.08 0.02 0.08 0.00 -3.08 0.00 0.00 56.30 53.24 2dat h ASN 19 Cb 0.64 -0.09 -0.06 0.00 -2.08 0.00 0.00 38.32 36.74 2dat h ASN 19 CO 0.10 0.30 0.56 0.00 -2.08 0.00 0.00 177.43 176.30 2dat h ALA 20 N 1.64 1.61 0.36 4.14 0.00 -0.17 0.34 119.26 127.19 2dat h ALA 20 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2dat h ALA 20 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dat h ALA 20 CO -0.12 0.24 -0.18 0.82 0.00 0.00 0.00 179.25 180.01 2dat h ILE 21 N 0.90 0.00 0.50 0.00 2.04 -0.59 -3.24 117.51 117.13 2dat h ILE 21 Ca 0.38 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2dat h ILE 21 Cb 0.30 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2dat h ILE 21 CO -0.15 0.00 -0.46 0.40 0.00 0.00 0.00 178.15 177.95 2dat h ILE 22 N -1.12 0.09 -0.71 -0.67 1.08 -1.37 -2.35 117.51 112.46 2dat h ILE 22 Ca -0.05 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.56 2dat h ILE 22 Cb 0.38 0.09 -0.13 0.00 -3.07 0.00 0.00 36.82 34.09 2dat h ILE 22 CO 0.08 0.00 -0.19 -0.67 -0.69 0.00 0.00 178.15 176.68 2dat n ASP 23 N -5.54 -0.29 0.44 1.72 -0.08 0.12 -0.26 116.55 112.66 2dat n ASP 23 Ca -0.12 1.23 -0.17 0.00 -1.51 0.00 0.00 54.79 54.22 2dat n ASP 23 Cb 0.44 -0.36 -0.08 0.00 2.34 0.00 0.00 41.12 43.46 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2dat h THR 24 N 0.00 0.00 -0.58 5.18 2.02 -1.50 0.10 112.91 118.14 2dat h THR 24 Ca 0.33 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 67.46 2dat h THR 24 Cb 0.51 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.81 2dat h THR 24 CO -0.73 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 175.36 2dat h VAL 25 N -1.27 0.13 -0.89 3.16 2.07 -0.11 0.45 116.25 119.79 2dat h VAL 25 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2dat h VAL 25 Cb 0.86 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2dat h VAL 25 CO 0.19 0.00 0.53 0.40 0.02 0.00 0.00 177.57 178.71 2dat h ILE 26 N -0.20 1.25 -0.85 4.57 2.04 -0.77 -2.28 117.51 121.27 2dat h ILE 26 Ca 0.20 -0.54 -0.53 0.00 1.00 0.00 0.00 64.86 64.99 2dat h ILE 26 Cb 0.56 -0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.39 2dat h ILE 26 CO -0.68 0.26 0.68 0.59 0.00 0.00 0.00 178.15 179.00 2dat n ASN 27 N -4.40 6.01 -4.60 1.72 3.02 0.35 -4.64 115.26 112.73 2dat n ASN 27 Ca 0.09 -3.50 -0.34 0.00 -0.03 0.00 0.00 54.58 50.81 2dat n ASN 27 Cb 0.06 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.20 2dat n ASN 27 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2dat s TYR 28 N -3.08 2.96 -0.02 3.10 6.14 0.13 -4.86 117.35 121.73 2dat s TYR 28 Ca 0.53 0.04 0.01 0.00 0.64 0.00 0.00 57.07 58.29 2dat s TYR 28 Cb 0.42 -1.71 -0.03 0.00 0.42 0.00 0.00 41.96 41.06 2dat s TYR 28 CO 0.03 0.35 -0.02 -1.59 0.64 0.00 0.00 175.55 174.96 2dat s LYS 29 N -0.87 2.74 -0.07 4.97 -2.85 -1.26 -3.99 119.74 118.41 2dat s LYS 29 Ca 0.13 -0.61 -0.09 0.00 -1.00 0.00 0.00 55.97 54.40 2dat s LYS 29 Cb -0.11 -2.63 -0.03 0.00 -2.06 0.00 0.00 37.83 33.00 2dat s LYS 29 CO 0.02 0.63 -0.18 -3.47 0.10 0.00 0.00 175.35 172.46 2dat n ASP 30 N 1.61 1.22 -3.86 0.03 2.03 -1.24 -4.99 116.55 111.35 2dat n ASP 30 Ca -0.16 0.20 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 2dat n ASP 30 Cb 0.53 -0.54 -0.14 0.00 -0.72 0.00 0.00 41.12 40.24 2dat n ASP 30 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2dat s SER 31 N -5.49 -0.01 -1.50 1.67 0.15 -1.26 -4.84 113.70 102.42 2dat s SER 31 Ca -0.15 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.47 2dat s SER 31 Cb 0.02 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 2dat s SER 31 CO 0.22 -0.01 0.70 -0.24 1.20 0.00 0.00 173.24 175.10 2dat n SER 32 N 3.16 -5.84 -1.87 5.45 2.88 -1.26 -1.50 113.62 114.63 2dat n SER 32 Ca -0.13 -0.36 -0.10 0.00 -1.33 0.00 0.00 58.87 56.95 2dat n SER 32 Cb 0.59 -4.71 -0.02 0.00 -0.75 0.00 0.00 64.21 59.32 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 33 N -1.57 0.23 3.48 0.46 0.00 -1.26 -4.89 105.19 101.65 2dat n GLY 33 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2dat n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dat s ARG 34 N -3.94 3.12 0.81 1.61 3.52 -0.56 -4.94 118.95 118.57 2dat s ARG 34 Ca 0.00 -0.73 -0.14 0.00 -0.13 0.00 0.00 55.73 54.73 2dat s ARG 34 Cb 0.00 -3.98 0.06 0.00 -1.56 0.00 0.00 34.95 29.47 2dat s ARG 34 CO 0.00 -0.91 1.04 0.94 -0.81 0.00 0.00 175.30 175.55 2dat n GLN 35 N 5.73 0.16 -0.12 5.12 7.27 -1.26 -3.73 117.38 130.55 2dat n GLN 35 Ca -0.06 0.12 -0.24 0.00 0.07 0.00 0.00 57.00 56.89 2dat n GLN 35 Cb 0.47 -2.30 -0.09 0.00 2.41 0.00 0.00 30.24 30.74 2dat n GLN 35 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2dat n LEU 36 N -2.67 1.82 0.19 1.69 4.32 -1.26 -4.39 117.00 116.70 2dat n LEU 36 Ca 0.12 0.23 0.09 0.00 -0.02 0.00 0.00 56.01 56.43 2dat n LEU 36 Cb 0.51 -0.69 0.47 0.00 -1.62 0.00 0.00 43.42 42.08 2dat n LEU 36 CO 0.49 0.53 0.86 0.28 -1.22 0.00 0.00 177.39 178.33 2dat h SER 37 N -0.72 0.00 -0.98 -1.43 0.02 -1.83 -1.20 113.55 107.40 2dat h SER 37 Ca -0.58 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.51 2dat h SER 37 Cb 1.55 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.00 2dat h SER 37 CO -0.32 0.00 0.62 -0.33 -1.14 0.00 0.00 176.83 175.66 2dat h GLU 38 N 0.00 0.89 -0.04 3.45 4.39 -1.87 0.47 114.58 121.87 2dat h GLU 38 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dat h GLU 38 Cb 0.54 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2dat h GLU 38 CO 0.00 0.59 0.00 1.33 -1.16 0.00 0.00 179.01 179.77 2dat n VAL 39 N -4.63 0.05 -0.00 3.13 0.24 -0.45 -3.36 118.33 113.30 2dat n VAL 39 Ca 0.19 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2dat n VAL 39 Cb 0.40 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 2dat n VAL 39 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dat n PHE 40 N -0.25 0.01 0.00 6.34 3.01 0.14 -4.83 117.46 121.89 2dat n PHE 40 Ca 0.19 -0.45 0.00 0.00 1.01 0.00 0.00 57.45 58.20 2dat n PHE 40 Cb 0.24 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2dat n ILE 41 N -0.44 0.00 -3.55 4.37 2.08 0.09 -3.04 119.36 118.87 2dat n ILE 41 Ca 0.00 0.96 -0.19 0.00 0.56 0.00 0.00 62.75 64.08 2dat n ILE 41 Cb 0.23 -1.82 -0.01 0.00 -0.75 0.00 0.00 39.64 37.29 2dat n ILE 41 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dat s GLN 42 N -1.60 3.16 0.23 0.38 -0.21 -1.26 -3.66 119.66 116.70 2dat s GLN 42 Ca 0.00 -0.98 0.11 0.00 0.02 0.00 0.00 55.36 54.51 2dat s GLN 42 Cb 0.00 -2.82 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 2dat s GLN 42 CO 0.00 0.12 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.58 2dat s LEU 43 N -4.14 2.53 0.10 2.90 1.43 -1.26 -5.04 118.68 115.20 2dat s LEU 43 Ca 0.43 -0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 52.26 2dat s LEU 43 Cb -0.09 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 2dat s LEU 43 CO 0.31 0.02 1.37 -2.16 0.23 0.00 0.00 176.35 176.13 2dat s PRO 44 N -3.23 4.33 1.02 1.29 0.04 -1.26 -5.00 135.00 132.19 2dat s PRO 44 Ca 0.25 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.16 2dat s PRO 44 Cb -0.05 -3.30 0.10 0.00 0.04 0.00 0.00 34.50 31.29 2dat s PRO 44 CO 0.12 -0.44 -0.04 0.43 0.04 0.00 0.00 177.00 177.11 2dat n SER 45 N 4.11 -2.75 0.12 6.66 7.64 -1.26 -4.75 113.62 123.39 2dat n SER 45 Ca 0.11 -0.24 -0.24 0.00 1.01 0.00 0.00 58.87 59.52 2dat n SER 45 Cb 0.43 -0.78 -0.16 0.00 -1.01 0.00 0.00 64.21 62.69 2dat n SER 45 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dat h ARG 46 N -2.25 0.49 0.05 1.43 -0.00 -1.95 -3.05 114.38 109.10 2dat h ARG 46 Ca -0.35 -0.83 -0.00 0.00 -0.50 0.00 0.00 59.98 58.30 2dat h ARG 46 Cb 1.01 0.31 0.00 0.00 0.00 0.00 0.00 29.97 31.29 2dat h ARG 46 CO 0.23 1.40 -0.02 -0.22 0.00 0.00 0.00 179.97 181.35 2dat h LYS 47 N 0.03 -0.06 0.56 0.04 1.63 -1.97 0.56 116.57 117.36 2dat h LYS 47 Ca -0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.54 2dat h LYS 47 Cb 2.06 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.69 2dat h LYS 47 CO 0.24 0.10 -0.47 0.93 -3.45 0.00 0.00 179.45 176.81 2dat h GLU 48 N -0.22 -0.97 -2.79 1.90 4.39 -1.93 -3.37 114.58 111.58 2dat h GLU 48 Ca -0.01 0.07 -0.60 0.00 0.34 0.00 0.00 59.36 59.15 2dat h GLU 48 Cb 0.20 0.22 -0.40 0.00 -0.10 0.00 0.00 28.75 28.67 2dat h GLU 48 CO 0.01 -0.65 -0.78 -1.17 -1.16 0.00 0.00 179.01 175.26 2dat s LEU 49 N -10.11 2.74 0.12 1.33 2.96 -1.15 -4.96 118.68 109.60 2dat s LEU 49 Ca -0.18 -3.06 -0.13 0.00 -0.22 0.00 0.00 54.13 50.54 2dat s LEU 49 Cb 0.04 -0.96 -0.06 0.00 0.50 0.00 0.00 46.19 45.71 2dat s LEU 49 CO 0.61 -0.19 1.45 1.55 -1.32 0.00 0.00 176.35 178.45 2dat h PRO 50 N 6.06 0.83 -1.01 0.98 0.13 -1.05 -3.15 132.00 134.78 2dat h PRO 50 Ca 0.12 -0.44 0.23 0.00 -0.87 0.00 0.00 66.00 65.04 2dat h PRO 50 Cb 0.88 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.91 2dat h PRO 50 CO 0.50 1.07 0.61 1.05 -0.23 0.00 0.00 178.00 181.00 2dat h GLU 51 N 0.62 0.59 -1.02 0.86 4.11 -1.93 0.17 114.58 117.98 2dat h GLU 51 Ca 0.05 -0.04 0.25 0.00 0.07 0.00 0.00 59.36 59.70 2dat h GLU 51 Cb 0.92 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 2dat h GLU 51 CO 0.08 0.39 0.64 -0.92 0.07 0.00 0.00 179.01 179.27 2dat h TYR 52 N 0.61 0.81 0.00 2.06 3.20 -1.94 0.69 116.97 122.41 2dat h TYR 52 Ca 0.61 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.51 2dat h TYR 52 Cb 1.16 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2dat h TYR 52 CO -0.00 0.09 -0.37 1.88 -1.64 0.00 0.00 178.16 178.11 2dat h TYR 53 N 0.50 0.00 0.41 -3.82 -1.99 -0.85 -2.83 116.97 108.39 2dat h TYR 53 Ca 0.60 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.31 2dat h TYR 53 Cb 1.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.06 2dat h TYR 53 CO -0.00 0.00 -0.20 0.93 -0.00 0.00 0.00 178.16 178.89 2dat h GLU 54 N 0.00 -0.53 -0.29 4.88 5.08 0.77 -3.35 114.58 121.13 2dat h GLU 54 Ca 0.00 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2dat h GLU 54 Cb 0.97 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2dat h GLU 54 CO 0.00 -0.36 -0.03 1.37 -1.00 0.00 0.00 179.01 179.00 2dat h LEU 55 N -0.98 0.53 -9.83 1.33 -0.00 -1.49 -3.43 115.31 101.44 2dat h LEU 55 Ca -0.06 -0.33 -0.52 0.00 -0.00 0.00 0.00 57.88 56.98 2dat h LEU 55 Cb 0.42 -0.14 0.05 0.00 -0.00 0.00 0.00 40.66 40.99 2dat h LEU 55 CO 0.09 0.74 0.59 -0.63 -0.00 0.00 0.00 178.44 179.23 2dat s ILE 56 N -4.90 3.02 -0.10 0.15 -1.09 -1.07 -4.98 121.20 112.23 2dat s ILE 56 Ca -0.13 1.01 -0.03 0.00 -2.23 0.00 0.00 60.65 59.26 2dat s ILE 56 Cb 0.08 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 2dat s ILE 56 CO 0.77 0.23 -0.05 0.03 -1.23 0.00 0.00 174.94 174.68 2dat h ARG 57 N 3.75 0.00 -2.86 2.79 2.47 -1.84 -3.44 114.38 115.25 2dat h ARG 57 Ca -0.48 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.63 2dat h ARG 57 Cb 1.22 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.14 2dat h ARG 57 CO 0.67 0.00 -0.74 0.15 0.56 0.00 0.00 179.97 180.62 2dat s LYS 58 N -1.70 1.69 -1.14 0.04 1.02 -1.26 -5.05 119.74 113.33 2dat s LYS 58 Ca -0.05 -2.62 -0.23 0.00 0.02 0.00 0.00 55.97 53.10 2dat s LYS 58 Cb 0.01 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.69 2dat s LYS 58 CO 0.07 -1.28 1.94 -1.25 -0.92 0.00 0.00 175.35 173.91 2dat s PRO 59 N -0.51 2.50 0.37 -1.68 0.04 -1.26 -4.87 135.00 129.60 2dat s PRO 59 Ca 0.25 -1.04 -0.09 0.00 0.04 0.00 0.00 61.00 60.16 2dat s PRO 59 Cb -0.08 -5.22 -0.06 0.00 0.04 0.00 0.00 34.50 29.19 2dat s PRO 59 CO -0.13 -3.90 0.70 0.54 0.04 0.00 0.00 177.00 174.26 2dat s VAL 60 N 10.89 4.86 0.30 -0.36 0.11 -1.26 -5.08 120.40 129.87 2dat s VAL 60 Ca 0.69 0.44 0.06 0.00 -2.93 0.00 0.00 61.98 60.24 2dat s VAL 60 Cb -0.02 -3.74 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2dat s VAL 60 CO 0.11 -0.47 -0.04 1.51 -3.33 0.00 0.00 175.10 172.89 2dat s ASP 61 N -3.19 2.88 0.49 3.54 1.47 -1.26 -4.66 116.67 115.94 2dat s ASP 61 Ca 0.49 -1.24 0.24 0.00 1.18 0.00 0.00 52.55 53.22 2dat s ASP 61 Cb -0.10 -0.19 1.25 0.00 -0.34 0.00 0.00 42.92 43.53 2dat s ASP 61 CO 0.31 -0.38 2.00 -0.26 0.68 0.00 0.00 175.17 177.52 2dat h PHE 62 N 2.18 0.00 0.25 2.11 0.04 -1.61 -2.54 116.94 117.38 2dat h PHE 62 Ca -0.41 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.35 2dat h PHE 62 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 2dat h PHE 62 CO 0.67 0.17 -0.12 0.87 -0.60 0.00 0.00 178.31 179.31 2dat h LYS 63 N 0.00 -0.32 -0.79 1.51 1.79 -1.84 -2.69 116.57 114.23 2dat h LYS 63 Ca -0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2dat h LYS 63 Cb 0.43 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.11 2dat h LYS 63 CO 0.02 -0.00 0.50 -0.22 -1.08 0.00 0.00 179.45 178.67 2dat h LYS 64 N -0.67 1.05 -0.99 3.15 1.63 -1.88 0.12 116.57 118.99 2dat h LYS 64 Ca -0.03 -0.08 0.12 0.00 -0.85 0.00 0.00 60.65 59.81 2dat h LYS 64 Cb 0.47 -0.23 -0.08 0.00 -0.60 0.00 0.00 32.23 31.78 2dat h LYS 64 CO 0.06 0.71 0.62 0.82 -3.45 0.00 0.00 179.45 178.21 2dat h ILE 65 N 1.07 0.92 0.23 2.00 2.04 -1.45 -2.01 117.51 120.31 2dat h ILE 65 Ca 0.29 -0.34 -0.33 0.00 1.00 0.00 0.00 64.86 65.48 2dat h ILE 65 Cb -0.09 -0.15 0.03 0.00 -0.74 0.00 0.00 36.82 35.88 2dat h ILE 65 CO -0.06 0.18 -1.44 0.11 0.00 0.00 0.00 178.15 176.94 2dat h LYS 66 N 0.98 0.53 -0.05 2.37 1.57 -1.07 -3.23 116.57 117.67 2dat h LYS 66 Ca 0.49 -0.88 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2dat h LYS 66 Cb 0.48 0.32 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2dat h LYS 66 CO -0.26 1.42 0.27 1.49 -0.57 0.00 0.00 179.45 181.80 2dat h GLU 67 N 0.15 0.00 0.14 3.15 4.81 -0.08 0.97 114.58 123.73 2dat h GLU 67 Ca -0.24 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.67 2dat h GLU 67 Cb 2.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.51 2dat h GLU 67 CO 0.27 0.00 -1.59 0.00 -0.73 0.00 0.00 179.01 176.96 2dat h ARG 68 N 0.00 0.30 -0.47 1.92 3.08 -1.44 -2.82 114.38 114.96 2dat h ARG 68 Ca 0.02 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 2dat h ARG 68 Cb 0.57 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2dat h ARG 68 CO -0.00 1.19 0.19 0.82 -1.07 0.00 0.00 179.97 181.10 2dat h ILE 69 N 0.08 1.18 0.00 2.04 2.04 -0.87 -0.32 117.51 121.66 2dat h ILE 69 Ca -0.27 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2dat h ILE 69 Cb 2.05 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2dat h ILE 69 CO 0.17 0.21 -0.71 0.08 0.00 0.00 0.00 178.15 177.90 2dat h ARG 70 N 0.67 0.00 -0.68 2.37 0.11 -1.59 -3.26 114.38 112.00 2dat h ARG 70 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 2dat h ARG 70 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 2dat h ARG 70 CO -0.02 0.21 0.00 0.09 0.10 0.00 0.00 179.97 180.35 2dat n ASN 71 N -2.99 4.16 -4.42 0.08 3.02 -0.82 -4.91 115.26 109.39 2dat n ASN 71 Ca -0.01 -2.57 -0.40 0.00 -0.03 0.00 0.00 54.58 51.57 2dat n ASN 71 Cb 0.67 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 2dat n ASN 71 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dat n HIS 72 N 0.53 -1.38 -0.04 3.10 8.25 -0.84 -4.85 115.22 119.99 2dat n HIS 72 Ca 0.19 0.73 -0.01 0.00 -0.26 0.00 0.00 57.72 58.37 2dat n HIS 72 Cb 0.86 -2.31 -0.00 0.00 1.12 0.00 0.00 29.99 29.65 2dat n HIS 72 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2dat h LYS 73 N -1.15 0.00 -5.75 -0.41 1.79 -1.36 -3.46 116.57 106.23 2dat h LYS 73 Ca -0.60 0.00 -0.80 0.00 -2.18 0.00 0.00 60.65 57.07 2dat h LYS 73 Cb 1.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2dat h LYS 73 CO 0.85 0.00 0.89 0.66 -1.08 0.00 0.00 179.45 180.77 2dat n TYR 74 N -3.69 1.47 0.13 -1.35 4.01 -1.25 -4.79 117.16 111.68 2dat n TYR 74 Ca -0.02 0.97 -0.00 0.00 -0.16 0.00 0.00 57.90 58.68 2dat n TYR 74 Cb 0.08 -2.16 0.26 0.00 -0.31 0.00 0.00 39.34 37.22 2dat n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dat h ARG 75 N 6.24 0.14 -2.98 -0.72 2.47 -1.97 -3.46 114.38 114.09 2dat h ARG 75 Ca -0.30 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.37 2dat h ARG 75 Cb 1.33 -0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.55 2dat h ARG 75 CO 0.98 0.54 0.22 -1.54 0.56 0.00 0.00 179.97 180.73 2dat s SER 76 N -6.89 -0.47 0.15 7.04 1.04 -1.26 -5.05 113.70 108.26 2dat s SER 76 Ca -0.04 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.03 2dat s SER 76 Cb 0.14 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.95 2dat s SER 76 CO 0.76 -1.08 1.72 0.25 0.98 0.00 0.00 173.24 175.86 2dat h LEU 77 N 2.00 -0.05 -1.09 2.42 6.46 -1.92 -1.96 115.31 121.17 2dat h LEU 77 Ca -0.29 0.06 0.42 0.00 -0.12 0.00 0.00 57.88 57.95 2dat h LEU 77 Cb 1.29 0.10 -0.17 0.00 -0.73 0.00 0.00 40.66 41.15 2dat h LEU 77 CO 0.33 0.01 0.62 1.23 -0.62 0.00 0.00 178.44 180.01 2dat h GLY 78 N 0.14 2.06 0.92 3.75 0.00 -2.01 0.21 103.07 108.14 2dat h GLY 78 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2dat h GLY 78 CO -0.23 -0.70 -0.29 -1.80 0.00 0.00 0.00 176.54 173.52 2dat h ASP 79 N 0.04 -0.71 -1.05 0.19 1.82 -1.77 -2.49 116.42 112.44 2dat h ASP 79 Ca 0.84 0.04 0.38 0.00 -0.39 0.00 0.00 57.03 57.90 2dat h ASP 79 Cb 2.31 0.20 -0.16 0.00 0.68 0.00 0.00 39.33 42.36 2dat h ASP 79 CO -0.68 -0.47 0.60 0.25 -1.61 0.00 0.00 179.24 177.32 2dat h LEU 80 N -0.76 0.39 0.58 2.28 5.85 -0.66 -0.66 115.31 122.33 2dat h LEU 80 Ca -0.06 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2dat h LEU 80 Cb 0.60 0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.83 2dat h LEU 80 CO 0.08 -0.28 -0.28 -0.08 -0.34 0.00 0.00 178.44 177.55 2dat h GLU 81 N 0.15 -0.75 -0.84 1.25 4.81 -1.34 -0.34 114.58 117.53 2dat h GLU 81 Ca 0.80 0.05 0.34 0.00 -0.13 0.00 0.00 59.36 60.42 2dat h GLU 81 Cb 2.05 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 31.45 2dat h GLU 81 CO -0.65 -0.50 0.42 1.63 -0.73 0.00 0.00 179.01 179.18 2dat n LYS 82 N -4.16 -0.05 0.10 1.92 5.02 -0.28 -0.70 118.16 120.01 2dat n LYS 82 Ca -0.10 1.17 -0.05 0.00 -2.02 0.00 0.00 58.31 57.31 2dat n LYS 82 Cb 0.31 -2.07 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 2dat n LYS 82 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2dat h ASP 83 N 0.00 -0.26 -0.89 4.39 1.82 -1.28 -2.93 116.42 117.27 2dat h ASP 83 Ca 0.70 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 57.45 2dat h ASP 83 Cb 1.82 0.07 -0.12 0.00 0.68 0.00 0.00 39.33 41.77 2dat h ASP 83 CO -0.66 0.05 -0.44 0.52 -1.61 0.00 0.00 179.24 177.10 2dat n VAL 84 N -4.18 -0.54 -0.10 2.25 0.31 0.13 0.21 118.33 116.39 2dat n VAL 84 Ca -0.04 2.12 0.11 0.00 -0.01 0.00 0.00 64.34 66.52 2dat n VAL 84 Cb 0.12 -2.70 0.47 0.00 -0.91 0.00 0.00 33.84 30.82 2dat n VAL 84 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2dat h MET 85 N 0.00 0.47 0.51 5.55 2.86 -1.34 -2.73 114.93 120.25 2dat h MET 85 Ca 0.22 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2dat h MET 85 Cb 0.44 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.00 2dat h MET 85 CO -0.86 0.31 -0.25 1.25 1.06 0.00 0.00 176.91 178.42 2dat h LEU 86 N 0.48 -0.58 -1.85 1.22 5.85 0.26 -1.18 115.31 119.51 2dat h LEU 86 Ca 0.28 -0.05 0.44 0.00 0.84 0.00 0.00 57.88 59.39 2dat h LEU 86 Cb 0.48 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 2dat h LEU 86 CO -0.08 -0.19 1.17 0.25 -0.34 0.00 0.00 178.44 179.24 2dat h LEU 87 N -1.06 0.00 0.16 2.25 6.46 -0.54 0.75 115.31 123.33 2dat h LEU 87 Ca -0.07 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.37 2dat h LEU 87 Cb 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2dat h LEU 87 CO 0.12 0.00 -1.64 0.00 -0.62 0.00 0.00 178.44 176.30 2dat h HIS 89 N -0.04 -0.90 -1.03 0.00 -0.00 0.17 -2.68 115.15 110.67 2dat h HIS 89 Ca -0.33 -0.02 0.29 0.00 -0.00 0.00 0.00 60.37 60.30 2dat h HIS 89 Cb 1.97 0.30 -0.13 0.00 -0.00 0.00 0.00 27.41 29.55 2dat h HIS 89 CO 0.11 -0.56 0.62 -2.95 -0.00 0.00 0.00 177.93 175.15 2dat h ASN 90 N -0.97 0.56 -0.47 3.26 7.08 -1.36 0.20 115.58 123.87 2dat h ASN 90 Ca -0.10 0.14 0.05 0.00 -3.08 0.00 0.00 56.30 53.32 2dat h ASN 90 Cb 0.74 0.07 -0.05 0.00 -2.08 0.00 0.00 38.32 37.00 2dat h ASN 90 CO 0.16 0.01 0.20 0.00 -2.08 0.00 0.00 177.43 175.72 2dat h ALA 91 N 1.74 0.59 -0.71 4.14 0.00 -1.56 -2.16 119.26 121.30 2dat h ALA 91 Ca 0.68 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.58 2dat h ALA 91 Cb 1.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2dat h ALA 91 CO -0.48 -0.18 0.23 1.96 0.00 0.00 0.00 179.25 180.78 2dat h GLN 92 N 0.39 1.11 -0.85 0.00 4.20 -0.30 0.26 115.11 119.91 2dat h GLN 92 Ca 0.22 -0.23 0.24 0.00 0.06 0.00 0.00 58.65 58.93 2dat h GLN 92 Cb 0.19 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 2dat h GLN 92 CO -0.20 0.94 0.60 1.15 -0.67 0.00 0.00 178.83 180.66 2dat h THR 93 N 1.05 0.60 0.00 -0.54 2.02 -0.77 -3.01 112.91 112.25 2dat h THR 93 Ca 0.23 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 67.20 2dat h THR 93 Cb 0.30 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2dat h THR 93 CO -0.01 0.01 -1.51 0.33 0.37 0.00 0.00 175.52 174.71 2dat n PHE 94 N -4.33 0.20 -1.12 3.16 7.35 -0.94 -4.99 117.46 116.79 2dat n PHE 94 Ca 0.18 0.09 -0.32 0.00 -0.76 0.00 0.00 57.45 56.63 2dat n PHE 94 Cb 0.87 -0.76 0.12 0.00 0.35 0.00 0.00 39.48 40.06 2dat n PHE 94 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2dat s ASN 95 N -6.53 3.78 1.15 -2.13 0.01 0.86 -5.02 114.94 107.06 2dat s ASN 95 Ca -0.31 2.18 -0.19 0.00 -0.71 0.00 0.00 52.86 53.84 2dat s ASN 95 Cb 0.08 -2.57 0.27 0.00 0.41 0.00 0.00 41.25 39.44 2dat s ASN 95 CO 0.44 -2.53 1.17 -0.76 -1.51 0.00 0.00 177.10 173.91 2dat s LEU 96 N -5.85 1.22 0.35 0.60 2.01 -1.26 -4.71 118.68 111.03 2dat s LEU 96 Ca 0.69 0.48 -0.02 0.00 0.01 0.00 0.00 54.13 55.29 2dat s LEU 96 Cb -0.24 -2.26 -0.04 0.00 0.01 0.00 0.00 46.19 43.66 2dat s LEU 96 CO 0.52 -3.81 0.58 -1.61 1.01 0.00 0.00 176.35 173.04 2dat s GLU 97 N -5.58 3.53 0.00 1.70 8.01 -1.26 -4.20 118.70 120.90 2dat s GLU 97 Ca 0.72 -0.17 0.00 0.00 0.01 0.00 0.00 54.97 55.53 2dat s GLU 97 Cb -0.07 -2.62 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 2dat s GLU 97 CO 0.55 0.12 0.00 0.41 0.01 0.00 0.00 175.26 176.35 2dat n GLY 98 N -1.61 -0.27 3.95 -1.39 0.00 -1.26 -4.85 105.19 99.76 2dat n GLY 98 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2dat n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dat s SER 99 N -1.45 4.89 0.18 1.61 1.04 -1.26 -4.84 113.70 113.86 2dat s SER 99 Ca 0.00 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 2dat s SER 99 Cb 0.00 -0.89 0.12 0.00 0.10 0.00 0.00 66.02 65.35 2dat s SER 99 CO 0.00 -1.49 1.65 -0.61 0.98 0.00 0.00 173.24 173.76 2dat h GLN 100 N -0.38 -0.05 -0.03 4.02 4.15 -1.93 -2.10 115.11 118.78 2dat h GLN 100 Ca -0.43 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.95 2dat h GLN 100 Cb 1.30 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2dat h GLN 100 CO 0.55 -0.03 -0.14 0.82 -1.93 0.00 0.00 178.83 178.09 2dat h ILE 101 N -0.05 1.48 -0.38 2.39 2.04 -1.94 -3.35 117.51 117.70 2dat h ILE 101 Ca 0.22 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.49 2dat h ILE 101 Cb 0.38 2.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 2dat h ILE 101 CO -0.49 0.44 -0.22 0.00 0.00 0.00 0.00 178.15 177.88 2dat n TYR 102 N -4.62 -0.17 -0.39 1.37 9.36 -0.99 0.10 117.16 121.83 2dat n TYR 102 Ca -0.09 0.48 0.34 0.00 3.32 0.00 0.00 57.90 61.94 2dat n TYR 102 Cb 0.40 -0.52 0.57 0.00 -0.63 0.00 0.00 39.34 39.17 2dat n TYR 102 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2dat n GLU 103 N -3.85 -0.03 0.45 2.98 1.02 -0.83 0.10 120.64 120.49 2dat n GLU 103 Ca 0.01 1.10 -0.18 0.00 -0.02 0.00 0.00 57.16 58.07 2dat n GLU 103 Cb 0.10 -2.13 -0.08 0.00 -0.02 0.00 0.00 31.44 29.30 2dat n GLU 103 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dat h ASP 104 N 0.00 -0.98 -1.90 1.62 5.19 0.53 -0.55 116.42 120.34 2dat h ASP 104 Ca 0.76 0.03 0.56 0.00 -0.62 0.00 0.00 57.03 57.75 2dat h ASP 104 Cb 2.36 0.25 -0.08 0.00 0.18 0.00 0.00 39.33 42.04 2dat h ASP 104 CO -0.45 -0.69 1.36 0.77 -3.12 0.00 0.00 179.24 177.11 2dat h SER 105 N -1.17 0.01 0.13 6.45 4.64 -0.17 0.98 113.55 124.42 2dat h SER 105 Ca -0.12 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 60.98 2dat h SER 105 Cb 0.88 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 2dat h SER 105 CO 0.19 -0.02 -1.12 0.40 -0.87 0.00 0.00 176.83 175.42 2dat h ILE 106 N 0.00 1.26 0.43 0.95 5.03 -1.32 -3.35 117.51 120.52 2dat h ILE 106 Ca 0.92 -2.46 -0.02 0.00 -0.12 0.00 0.00 64.86 63.17 2dat h ILE 106 Cb 3.63 2.94 0.00 0.00 -3.03 0.00 0.00 36.82 40.37 2dat h ILE 106 CO -0.04 0.70 -0.21 0.58 -0.68 0.00 0.00 178.15 178.50 2dat h VAL 107 N -0.35 0.56 -0.89 1.67 2.07 0.25 -2.94 116.25 116.62 2dat h VAL 107 Ca -0.23 -0.24 0.33 0.00 0.82 0.00 0.00 66.70 67.38 2dat h VAL 107 Cb 1.70 0.68 -0.16 0.00 -1.52 0.00 0.00 31.29 31.98 2dat h VAL 107 CO 0.10 0.04 0.32 0.18 0.02 0.00 0.00 177.57 178.23 2dat n LEU 108 N -5.28 0.17 0.45 2.57 4.77 0.43 0.11 117.00 120.21 2dat n LEU 108 Ca -0.11 1.49 -0.19 0.00 -0.03 0.00 0.00 56.01 57.17 2dat n LEU 108 Cb 0.28 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 2dat n LEU 108 CO 0.34 -1.61 0.58 1.56 -1.33 0.00 0.00 177.39 176.93 2dat h GLN 109 N 0.00 -1.08 -0.45 3.23 4.20 -1.65 -0.99 115.11 118.37 2dat h GLN 109 Ca 0.68 0.07 0.13 0.00 0.06 0.00 0.00 58.65 59.60 2dat h GLN 109 Cb 1.69 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 29.70 2dat h GLN 109 CO -0.74 -0.72 0.65 1.03 -0.67 0.00 0.00 178.83 178.39 2dat h SER 110 N -1.14 0.00 0.13 1.46 0.87 -0.30 0.24 113.55 114.80 2dat h SER 110 Ca -0.11 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.22 2dat h SER 110 Cb 0.86 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2dat h SER 110 CO 0.19 0.00 -1.08 0.58 -0.53 0.00 0.00 176.83 175.98 2dat h VAL 111 N 0.00 1.29 -0.67 2.23 2.07 -0.75 -3.07 116.25 117.35 2dat h VAL 111 Ca 0.22 -2.47 0.01 0.00 0.82 0.00 0.00 66.70 65.27 2dat h VAL 111 Cb 1.52 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 34.22 2dat h VAL 111 CO -0.00 0.70 0.44 0.15 0.02 0.00 0.00 177.57 178.88 2dat h PHE 112 N -0.36 0.85 0.81 1.57 3.04 0.75 0.04 116.94 123.63 2dat h PHE 112 Ca -0.22 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.71 2dat h PHE 112 Cb 1.69 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 39.92 2dat h PHE 112 CO 0.16 0.54 -0.39 0.87 -2.02 0.00 0.00 178.31 177.47 2dat h LYS 113 N 0.91 -1.05 -0.48 1.11 1.57 -1.39 -1.82 116.57 115.42 2dat h LYS 113 Ca 0.25 0.07 0.14 0.00 -1.87 0.00 0.00 60.65 59.23 2dat h LYS 113 Cb -0.10 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2dat h LYS 113 CO -0.05 -0.70 0.37 1.03 -0.57 0.00 0.00 179.45 179.53 2dat h SER 114 N -1.23 0.00 0.84 0.86 0.87 -1.50 0.30 113.55 113.69 2dat h SER 114 Ca -0.11 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 2dat h SER 114 Cb 0.83 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2dat h SER 114 CO 0.18 0.00 -0.51 0.00 -0.53 0.00 0.00 176.83 175.98 2dat h ALA 115 N 1.70 0.92 0.10 6.23 0.00 -0.74 -2.31 119.26 125.15 2dat h ALA 115 Ca 0.23 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dat h ALA 115 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dat h ALA 115 CO -0.00 0.63 -0.05 -0.09 0.00 0.00 0.00 179.25 179.74 2dat h ARG 116 N 0.00 -0.13 -0.29 0.00 2.43 0.44 -3.35 114.38 113.49 2dat h ARG 116 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2dat h ARG 116 Cb 1.06 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2dat h ARG 116 CO 0.07 0.34 0.14 -0.56 -1.51 0.00 0.00 179.97 178.44 2dat h GLN 117 N -0.92 0.28 -5.47 0.20 3.07 -1.51 -3.39 115.11 107.37 2dat h GLN 117 Ca -0.01 -0.02 -0.32 0.00 0.09 0.00 0.00 58.65 58.39 2dat h GLN 117 Cb 0.53 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 2dat h GLN 117 CO 0.02 0.19 1.15 0.45 0.09 0.00 0.00 178.83 180.72 2dat n SER 118 N -4.97 1.91 0.00 0.06 2.88 -0.87 -4.71 113.62 107.92 2dat n SER 118 Ca -0.01 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 2dat n SER 118 Cb 0.07 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.00 2dat n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 119 N 6.28 3.08 3.56 0.46 0.00 -1.26 -4.91 105.19 112.40 2dat n GLY 119 Ca 0.43 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2dat n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dat s PRO 120 N 2.93 2.57 -0.13 1.61 0.04 -1.26 -4.96 135.00 135.80 2dat s PRO 120 Ca 0.00 -0.03 -0.07 0.00 0.04 0.00 0.00 61.00 60.93 2dat s PRO 120 Cb 0.00 -4.87 -0.04 0.00 0.04 0.00 0.00 34.50 29.63 2dat s PRO 120 CO 0.00 -3.20 0.13 -1.12 0.04 0.00 0.00 177.00 172.86 2dat s SER 121 N 8.06 6.29 0.33 6.66 0.01 -1.26 -5.11 113.70 128.69 2dat s SER 121 Ca 0.69 0.41 0.09 0.00 1.31 0.00 0.00 55.95 58.45 2dat s SER 121 Cb -0.08 -2.04 -0.06 0.00 0.21 0.00 0.00 66.02 64.04 2dat s SER 121 CO 0.05 0.37 -0.10 -0.94 0.41 0.00 0.00 173.24 173.03 2dat s SER 122 N -0.77 3.59 0.00 2.44 1.04 -1.26 -5.28 113.70 113.46 2dat s SER 122 Ca 0.14 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2dat s SER 122 Cb -0.12 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2dat s SER 122 CO 0.03 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.65