#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 1.83 -0.26 1.61 0.15 -1.26 -5.08 113.70 110.69 2dat s SER 2 Ca 0.00 -1.25 -0.04 0.00 0.70 0.00 0.00 55.95 55.37 2dat s SER 2 Cb 0.00 0.01 -0.15 0.00 -1.71 0.00 0.00 66.02 64.17 2dat s SER 2 CO 0.00 -0.54 -0.26 -1.54 1.20 0.00 0.00 173.24 172.10 2dat n SER 3 N -0.45 1.97 0.00 5.45 3.41 -1.26 -5.07 113.62 117.68 2dat n SER 3 Ca -0.04 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2dat n SER 3 Cb 0.64 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2dat n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dat n GLY 4 N 1.92 2.18 3.78 5.00 0.00 -1.26 -5.09 105.19 111.71 2dat n GLY 4 Ca -0.49 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 2dat n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 5 N -0.28 5.71 0.25 1.61 0.01 -1.26 -5.06 113.70 114.69 2dat s SER 5 Ca 0.00 2.06 0.08 0.00 1.31 0.00 0.00 55.95 59.40 2dat s SER 5 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2dat s SER 5 CO 0.00 -1.22 0.09 -0.44 0.41 0.00 0.00 173.24 172.08 2dat s SER 6 N -2.09 4.99 0.00 2.44 0.01 -1.26 -5.00 113.70 112.80 2dat s SER 6 Ca 0.70 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2dat s SER 6 Cb -0.21 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.92 2dat s SER 6 CO 0.30 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2dat n GLY 7 N -0.98 -2.27 2.90 3.44 0.00 -1.26 -5.09 105.19 101.93 2dat n GLY 7 Ca -0.07 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 1.30 0.25 1.61 0.01 -1.26 -5.13 113.70 110.48 2dat s SER 8 Ca 0.00 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 2dat s SER 8 Cb 0.00 -0.55 -0.09 0.00 0.21 0.00 0.00 66.02 65.59 2dat s SER 8 CO 0.00 -0.07 1.27 -2.16 0.41 0.00 0.00 173.24 172.69 2dat s PRO 9 N 1.11 4.42 0.32 12.44 0.04 -1.26 -4.90 135.00 147.18 2dat s PRO 9 Ca -0.08 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2dat s PRO 9 Cb -0.14 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 2dat s PRO 9 CO -0.01 -0.16 0.69 -0.80 0.04 0.00 0.00 177.00 176.77 2dat s ASN 10 N -0.08 6.65 0.85 6.66 0.01 -1.26 -5.07 114.94 122.70 2dat s ASN 10 Ca 0.52 1.12 -0.11 0.00 -0.71 0.00 0.00 52.86 53.69 2dat s ASN 10 Cb -0.36 -2.31 0.10 0.00 0.41 0.00 0.00 41.25 39.09 2dat s ASN 10 CO 0.42 -0.23 1.09 -2.16 -1.51 0.00 0.00 177.10 174.72 2dat s PRO 11 N -3.22 1.60 0.42 -0.60 0.04 -1.26 -4.82 135.00 127.15 2dat s PRO 11 Ca 0.51 0.94 0.21 0.00 0.04 0.00 0.00 61.00 62.70 2dat s PRO 11 Cb -0.10 -1.84 0.89 0.00 0.04 0.00 0.00 34.50 33.49 2dat s PRO 11 CO 0.23 -2.04 1.84 -1.00 0.04 0.00 0.00 177.00 176.07 2dat h PRO 12 N -1.40 0.00 -0.18 0.56 0.13 -1.98 -1.37 132.00 127.75 2dat h PRO 12 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2dat h PRO 12 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2dat h PRO 12 CO 0.53 0.30 -0.16 0.87 -0.23 0.00 0.00 178.00 179.31 2dat h LYS 13 N 0.00 0.42 0.16 0.86 1.79 -2.00 -2.68 116.57 115.13 2dat h LYS 13 Ca -0.00 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 2dat h LYS 13 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2dat h LYS 13 CO 0.04 0.77 -0.08 1.25 -1.08 0.00 0.00 179.45 180.35 2dat h LEU 14 N 0.08 -0.18 -0.87 2.94 5.85 -1.93 -2.94 115.31 118.25 2dat h LEU 14 Ca 0.03 -0.19 0.19 0.00 0.84 0.00 0.00 57.88 58.75 2dat h LEU 14 Cb 0.69 0.05 -0.16 0.00 0.37 0.00 0.00 40.66 41.60 2dat h LEU 14 CO 0.04 0.36 -0.14 0.74 -0.34 0.00 0.00 178.44 179.10 2dat h THR 15 N -1.00 0.14 0.85 1.05 2.02 -1.38 -0.83 112.91 113.75 2dat h THR 15 Ca -0.02 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 2dat h THR 15 Cb 0.37 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2dat h THR 15 CO 0.04 0.00 -0.42 0.11 0.37 0.00 0.00 175.52 175.62 2dat h LYS 16 N 0.02 -1.11 -0.78 6.66 1.57 -1.59 -2.89 116.57 118.45 2dat h LYS 16 Ca 0.45 0.08 0.10 0.00 -1.87 0.00 0.00 60.65 59.40 2dat h LYS 16 Cb 0.75 0.25 -0.11 0.00 0.08 0.00 0.00 32.23 33.21 2dat h LYS 16 CO -0.87 -0.74 -0.38 0.94 -0.57 0.00 0.00 179.45 177.83 2dat n GLN 17 N -5.59 -0.26 -0.07 3.15 7.27 -0.36 0.61 117.38 122.14 2dat n GLN 17 Ca -0.15 1.19 -0.07 0.00 0.07 0.00 0.00 57.00 58.04 2dat n GLN 17 Cb 0.46 -1.76 -0.01 0.00 2.41 0.00 0.00 30.24 31.34 2dat n GLN 17 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 2dat h MET 18 N 0.00 -0.17 0.80 3.69 2.86 -1.38 -2.67 114.93 118.06 2dat h MET 18 Ca 0.20 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2dat h MET 18 Cb 0.40 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2dat h MET 18 CO -0.76 -0.11 -0.48 -0.91 1.06 0.00 0.00 176.91 175.71 2dat h ASN 19 N -0.17 -1.21 -1.07 1.22 2.35 0.38 -2.36 115.58 114.73 2dat h ASN 19 Ca 0.15 0.07 0.38 0.00 -0.55 0.00 0.00 56.30 56.35 2dat h ASN 19 Cb 0.41 0.35 -0.12 0.00 0.05 0.00 0.00 38.32 39.01 2dat h ASN 19 CO -0.39 -0.75 0.67 0.00 -1.65 0.00 0.00 177.43 175.31 2dat n ALA 20 N -2.71 1.06 0.04 -0.83 0.00 0.74 -0.22 120.51 118.58 2dat n ALA 20 Ca -0.15 0.73 -0.02 0.00 0.00 0.00 0.00 53.44 54.01 2dat n ALA 20 Cb 0.50 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 2dat n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dat h ILE 21 N 0.00 0.00 -0.26 0.00 2.04 -1.10 -3.15 117.51 115.04 2dat h ILE 21 Ca 0.71 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 66.52 2dat h ILE 21 Cb 2.23 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.23 2dat h ILE 21 CO -0.43 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 177.73 2dat h ILE 22 N -0.22 0.16 -0.91 -0.67 1.08 -0.70 -1.67 117.51 114.59 2dat h ILE 22 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2dat h ILE 22 Cb 0.08 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 33.88 2dat h ILE 22 CO 0.02 0.00 -0.52 -0.67 -0.69 0.00 0.00 178.15 176.29 2dat n ASP 23 N -5.42 -0.93 -0.32 1.72 2.03 0.69 0.77 116.55 115.08 2dat n ASP 23 Ca -0.02 1.61 0.02 0.00 0.52 0.00 0.00 54.79 56.92 2dat n ASP 23 Cb 0.35 -0.22 0.16 0.00 -0.72 0.00 0.00 41.12 40.69 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2dat h THR 24 N 0.00 1.02 0.69 5.18 2.02 -1.37 0.38 112.91 120.83 2dat h THR 24 Ca 0.16 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2dat h THR 24 Cb 0.39 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2dat h THR 24 CO -0.86 0.18 -0.33 0.58 0.37 0.00 0.00 175.52 175.46 2dat h VAL 25 N 0.99 0.00 -0.73 3.16 2.07 0.13 0.45 116.25 122.31 2dat h VAL 25 Ca 0.40 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.90 2dat h VAL 25 Cb 0.22 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2dat h VAL 25 CO -0.19 0.00 0.48 0.40 0.02 0.00 0.00 177.57 178.28 2dat h ILE 26 N -1.01 1.04 -0.37 4.57 2.04 -0.20 -1.87 117.51 121.72 2dat h ILE 26 Ca -0.09 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.33 2dat h ILE 26 Cb 0.71 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2dat h ILE 26 CO 0.16 0.14 -0.41 0.78 0.00 0.00 0.00 178.15 178.82 2dat h ASN 27 N 0.79 0.98 -2.01 1.72 2.35 -0.17 -3.42 115.58 115.82 2dat h ASN 27 Ca 0.31 -0.46 -0.61 0.00 -0.55 0.00 0.00 56.30 54.99 2dat h ASN 27 Cb 0.21 -0.28 0.17 0.00 0.05 0.00 0.00 38.32 38.48 2dat h ASN 27 CO -0.10 1.26 -0.97 0.00 -1.65 0.00 0.00 177.43 175.97 2dat n TYR 28 N -4.05 -2.28 -4.14 1.19 4.19 0.16 -4.99 117.16 107.23 2dat n TYR 28 Ca -0.02 0.52 -0.15 0.00 3.31 0.00 0.00 57.90 61.56 2dat n TYR 28 Cb 0.56 -1.76 -0.11 0.00 0.49 0.00 0.00 39.34 38.51 2dat n TYR 28 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2dat s LYS 29 N -1.14 0.76 -0.11 2.98 -2.85 -1.26 -4.53 119.74 113.58 2dat s LYS 29 Ca 0.59 -1.01 -0.05 0.00 -1.00 0.00 0.00 55.97 54.51 2dat s LYS 29 Cb -0.55 -0.53 -0.03 0.00 -2.06 0.00 0.00 37.83 34.66 2dat s LYS 29 CO 0.63 0.09 0.04 0.22 0.10 0.00 0.00 175.35 176.44 2dat h ASP 30 N 3.96 0.00 -2.33 0.03 3.58 -1.81 -3.41 116.42 116.44 2dat h ASP 30 Ca -0.38 -0.10 -0.64 0.00 0.42 0.00 0.00 57.03 56.33 2dat h ASP 30 Cb 1.19 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.85 2dat h ASP 30 CO 0.47 0.61 -0.28 -1.54 -2.88 0.00 0.00 179.24 175.62 2dat n SER 31 N -4.73 4.57 -3.75 2.28 3.41 -1.26 -4.88 113.62 109.26 2dat n SER 31 Ca -0.03 -3.51 -0.23 0.00 -0.26 0.00 0.00 58.87 54.84 2dat n SER 31 Cb 0.10 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 2dat n SER 31 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dat n SER 32 N 0.63 0.31 0.00 4.04 7.64 -1.26 -3.18 113.62 121.80 2dat n SER 32 Ca 0.31 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2dat n SER 32 Cb 0.38 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 33 N -1.89 1.92 3.58 0.23 0.00 -1.26 -5.06 105.19 102.70 2dat n GLY 33 Ca -0.17 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 1.85 0.44 1.61 6.06 -1.19 -4.89 118.95 122.83 2dat s ARG 34 Ca 0.00 -0.81 -0.24 0.00 -2.50 0.00 0.00 55.73 52.17 2dat s ARG 34 Cb 0.00 -5.12 -0.08 0.00 0.06 0.00 0.00 34.95 29.82 2dat s ARG 34 CO 0.00 -4.74 1.26 -1.14 -2.50 0.00 0.00 175.30 168.19 2dat s GLN 35 N 7.44 3.79 -0.25 5.12 0.74 -1.26 -2.39 119.66 132.86 2dat s GLN 35 Ca 0.75 2.04 -0.12 0.00 0.05 0.00 0.00 55.36 58.07 2dat s GLN 35 Cb -0.03 -2.58 -0.11 0.00 1.10 0.00 0.00 33.01 31.40 2dat s GLN 35 CO 0.16 -0.60 -0.32 1.28 -0.55 0.00 0.00 175.29 175.26 2dat n LEU 36 N -0.22 1.75 -0.02 3.68 4.32 -1.26 -4.40 117.00 120.85 2dat n LEU 36 Ca 0.06 0.30 0.20 0.00 -0.02 0.00 0.00 56.01 56.54 2dat n LEU 36 Cb 0.45 -0.73 0.40 0.00 -1.62 0.00 0.00 43.42 41.93 2dat n LEU 36 CO 0.53 0.52 1.18 0.77 -1.22 0.00 0.00 177.39 179.17 2dat h SER 37 N -0.87 0.00 -0.39 -1.43 4.64 -1.87 0.11 113.55 113.74 2dat h SER 37 Ca -0.63 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.77 2dat h SER 37 Cb 1.55 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.56 2dat h SER 37 CO -0.38 0.00 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.07 2dat h GLU 38 N 0.00 -0.11 0.00 4.77 5.08 -1.90 0.63 114.58 123.05 2dat h GLU 38 Ca 0.32 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2dat h GLU 38 Cb 2.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.64 2dat h GLU 38 CO -0.00 -0.07 0.00 1.33 -1.00 0.00 0.00 179.01 179.26 2dat n VAL 39 N -5.36 0.00 0.04 3.13 0.24 0.40 -2.12 118.33 114.64 2dat n VAL 39 Ca 0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.33 2dat n VAL 39 Cb 0.27 -0.55 0.02 0.00 -1.47 0.00 0.00 33.84 32.12 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 -0.90 0.06 0.00 6.34 3.72 0.20 -4.80 117.46 122.07 2dat n PHE 40 Ca 0.13 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2dat n PHE 40 Cb 0.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2dat n ILE 41 N -0.05 0.00 -3.89 4.37 2.08 0.13 -2.70 119.36 119.30 2dat n ILE 41 Ca 0.02 0.68 -0.29 0.00 0.56 0.00 0.00 62.75 63.73 2dat n ILE 41 Cb 0.18 -1.47 -0.04 0.00 -0.75 0.00 0.00 39.64 37.56 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 -1.26 3.46 0.23 0.38 -0.21 -1.26 -3.89 119.66 117.11 2dat s GLN 42 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 54.97 2dat s GLN 42 Cb 0.00 -2.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.00 2dat s GLN 42 CO 0.00 0.54 0.26 -0.51 -2.12 0.00 0.00 175.29 173.47 2dat s LEU 43 N -2.90 4.06 -0.06 2.90 1.43 -1.26 -5.00 118.68 117.85 2dat s LEU 43 Ca 0.36 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 2dat s LEU 43 Cb -0.12 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 2dat s LEU 43 CO 0.28 -0.04 1.50 -2.16 0.23 0.00 0.00 176.35 176.16 2dat s PRO 44 N -3.79 4.22 0.19 1.29 0.04 -1.26 -4.94 135.00 130.75 2dat s PRO 44 Ca 0.33 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 63.07 2dat s PRO 44 Cb -0.09 -3.81 -0.16 0.00 0.04 0.00 0.00 34.50 30.49 2dat s PRO 44 CO 0.27 -0.74 1.07 0.45 0.04 0.00 0.00 177.00 178.08 2dat n SER 45 N 6.49 1.04 -0.32 6.66 2.88 -1.26 -4.64 113.62 124.47 2dat n SER 45 Ca 0.15 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.92 2dat n SER 45 Cb 0.43 -1.20 0.24 0.00 -0.75 0.00 0.00 64.21 62.94 2dat n SER 45 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dat h ARG 46 N 2.84 0.75 0.08 -1.46 3.08 -1.92 0.90 114.38 118.64 2dat h ARG 46 Ca -0.41 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.62 2dat h ARG 46 Cb 1.35 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 2dat h ARG 46 CO 0.67 0.50 -0.28 -0.22 -1.07 0.00 0.00 179.97 179.56 2dat h LYS 47 N 0.77 -0.46 0.44 0.04 3.64 -1.96 1.34 116.57 120.39 2dat h LYS 47 Ca 0.49 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 2dat h LYS 47 Cb 0.62 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2dat h LYS 47 CO -0.33 -0.30 -0.21 0.93 -2.27 0.00 0.00 179.45 177.27 2dat h GLU 48 N -0.47 -0.57 -2.49 1.90 5.08 -1.73 -3.37 114.58 112.91 2dat h GLU 48 Ca 0.04 0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.84 2dat h GLU 48 Cb 0.52 0.13 -0.41 0.00 0.50 0.00 0.00 28.75 29.49 2dat h GLU 48 CO -0.19 -0.28 -0.71 -0.11 -1.00 0.00 0.00 179.01 176.72 2dat n LEU 49 N -5.25 2.43 -0.01 1.33 7.94 0.24 -4.94 117.00 118.75 2dat n LEU 49 Ca -0.11 -5.12 -0.13 0.00 -1.11 0.00 0.00 56.01 49.55 2dat n LEU 49 Cb 0.30 -0.35 -0.10 0.00 0.53 0.00 0.00 43.42 43.80 2dat n LEU 49 CO 0.32 1.93 0.64 1.55 -1.11 0.00 0.00 177.39 180.71 2dat h PRO 50 N 4.75 0.01 -0.99 1.96 0.13 0.16 -3.23 132.00 134.79 2dat h PRO 50 Ca 0.17 -0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.63 2dat h PRO 50 Cb 0.76 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.71 2dat h PRO 50 CO 0.68 0.49 0.25 1.05 -0.23 0.00 0.00 178.00 180.24 2dat h GLU 51 N -0.47 0.02 -0.96 0.86 4.11 -1.92 0.66 114.58 116.87 2dat h GLU 51 Ca 0.00 -0.00 0.30 0.00 0.07 0.00 0.00 59.36 59.73 2dat h GLU 51 Cb 0.49 -0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.58 2dat h GLU 51 CO 0.00 0.01 0.40 -0.92 0.07 0.00 0.00 179.01 178.57 2dat h TYR 52 N 0.02 0.63 -0.06 2.06 5.03 -1.94 1.05 116.97 123.76 2dat h TYR 52 Ca 0.70 0.05 -0.14 0.00 2.58 0.00 0.00 58.73 61.91 2dat h TYR 52 Cb 1.64 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.79 2dat h TYR 52 CO -0.29 -0.26 -0.61 1.88 -1.32 0.00 0.00 178.16 177.57 2dat h TYR 53 N 0.21 0.26 0.55 -3.82 -1.99 0.15 -2.15 116.97 110.18 2dat h TYR 53 Ca 0.68 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 61.29 2dat h TYR 53 Cb 1.53 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 40.20 2dat h TYR 53 CO -0.14 0.76 -0.42 0.93 -0.00 0.00 0.00 178.16 179.28 2dat h GLU 54 N 0.15 -0.90 -0.21 4.88 5.08 0.13 -3.15 114.58 120.56 2dat h GLU 54 Ca -0.01 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2dat h GLU 54 Cb 1.11 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2dat h GLU 54 CO 0.09 -0.60 0.07 1.37 -1.00 0.00 0.00 179.01 178.94 2dat h LEU 55 N -0.94 0.29 -9.73 1.33 -0.00 -1.53 -3.42 115.31 101.31 2dat h LEU 55 Ca -0.07 -0.19 -0.52 0.00 -0.00 0.00 0.00 57.88 57.10 2dat h LEU 55 Cb 0.78 -0.08 0.04 0.00 -0.00 0.00 0.00 40.66 41.40 2dat h LEU 55 CO 0.02 0.40 0.66 -0.63 -0.00 0.00 0.00 178.44 178.89 2dat s ILE 56 N -5.45 3.05 -0.08 0.15 -1.09 -0.81 -4.97 121.20 111.99 2dat s ILE 56 Ca -0.14 0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 59.14 2dat s ILE 56 Cb 0.07 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 2dat s ILE 56 CO 0.71 0.16 -0.09 0.03 -1.23 0.00 0.00 174.94 174.52 2dat h ARG 57 N 4.88 0.00 -3.31 2.79 2.47 -1.83 -3.44 114.38 115.93 2dat h ARG 57 Ca -0.46 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 57.57 2dat h ARG 57 Cb 1.22 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.18 2dat h ARG 57 CO 0.75 0.00 -0.17 0.15 0.56 0.00 0.00 179.97 181.26 2dat s LYS 58 N -1.68 3.13 -1.19 0.04 -0.14 -1.26 -5.01 119.74 113.63 2dat s LYS 58 Ca -0.07 -3.22 -0.23 0.00 -1.36 0.00 0.00 55.97 51.09 2dat s LYS 58 Cb 0.01 -3.88 -0.09 0.00 -1.68 0.00 0.00 37.83 32.19 2dat s LYS 58 CO 0.11 -1.26 1.93 -1.25 -0.76 0.00 0.00 175.35 174.12 2dat s PRO 59 N -1.25 2.49 0.20 -1.68 0.04 -1.26 -4.88 135.00 128.65 2dat s PRO 59 Ca 0.26 -1.19 -0.04 0.00 0.04 0.00 0.00 61.00 60.08 2dat s PRO 59 Cb -0.08 -5.25 -0.05 0.00 0.04 0.00 0.00 34.50 29.16 2dat s PRO 59 CO -0.12 -4.01 0.43 0.54 0.04 0.00 0.00 177.00 173.88 2dat s VAL 60 N 11.07 5.14 0.27 -0.36 0.11 -1.26 -5.11 120.40 130.25 2dat s VAL 60 Ca 0.68 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 2dat s VAL 60 Cb -0.01 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.15 2dat s VAL 60 CO 0.14 -0.12 0.08 -0.90 -3.33 0.00 0.00 175.10 170.97 2dat n ASP 61 N -0.40 1.38 0.06 3.54 5.75 -1.26 -4.60 116.55 121.02 2dat n ASP 61 Ca -0.03 -2.39 -0.14 0.00 -0.01 0.00 0.00 54.79 52.23 2dat n ASP 61 Cb 0.53 0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 41.17 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2dat h PHE 62 N 1.39 0.68 -0.24 2.11 0.04 -1.62 -2.98 116.94 116.32 2dat h PHE 62 Ca -0.21 -0.36 0.02 0.00 2.80 0.00 0.00 57.97 60.22 2dat h PHE 62 Cb 0.78 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2dat h PHE 62 CO 0.00 1.17 0.11 0.87 -0.60 0.00 0.00 178.31 179.86 2dat h LYS 63 N 0.28 0.23 0.88 1.51 1.79 -1.83 -2.60 116.57 116.84 2dat h LYS 63 Ca -0.08 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 2dat h LYS 63 Cb 1.54 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 32.15 2dat h LYS 63 CO 0.16 0.15 -0.42 0.87 -1.08 0.00 0.00 179.45 179.13 2dat h LYS 64 N 0.24 -1.14 -0.95 3.15 1.79 -1.90 -2.04 116.57 115.72 2dat h LYS 64 Ca 0.10 0.08 0.24 0.00 -2.18 0.00 0.00 60.65 58.88 2dat h LYS 64 Cb 0.03 0.26 -0.18 0.00 -1.58 0.00 0.00 32.23 30.77 2dat h LYS 64 CO -0.07 -0.76 -0.07 -0.89 -1.08 0.00 0.00 179.45 176.58 2dat n ILE 65 N -5.58 -0.40 0.22 1.86 5.41 -1.13 -0.19 119.36 119.56 2dat n ILE 65 Ca -0.15 2.12 -0.15 0.00 1.00 0.00 0.00 62.75 65.57 2dat n ILE 65 Cb 0.47 -3.04 -0.08 0.00 -0.71 0.00 0.00 39.64 36.28 2dat n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2dat h LYS 66 N 0.00 -0.52 -0.64 0.38 1.57 -1.33 -3.21 116.57 112.82 2dat h LYS 66 Ca 0.53 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.41 2dat h LYS 66 Cb 1.01 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.34 2dat h LYS 66 CO -0.93 -0.26 -0.57 0.93 -0.57 0.00 0.00 179.45 178.05 2dat h GLU 67 N -0.68 -0.23 -0.90 3.15 3.07 0.17 0.25 114.58 119.41 2dat h GLU 67 Ca -0.05 0.02 0.17 0.00 -0.50 0.00 0.00 59.36 58.99 2dat h GLU 67 Cb 0.49 0.05 -0.17 0.00 -0.84 0.00 0.00 28.75 28.29 2dat h GLU 67 CO 0.09 -0.15 -0.25 0.54 -1.40 0.00 0.00 179.01 177.84 2dat n ARG 68 N -5.30 -0.10 -0.25 2.33 5.12 -0.63 0.14 116.66 117.96 2dat n ARG 68 Ca -0.01 1.40 0.00 0.00 -1.93 0.00 0.00 57.85 57.31 2dat n ARG 68 Cb 0.31 -2.09 0.12 0.00 -1.16 0.00 0.00 32.46 29.64 2dat n ARG 68 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2dat h ILE 69 N 0.00 0.93 -0.01 0.55 2.04 -0.96 0.37 117.51 120.43 2dat h ILE 69 Ca 0.41 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 2dat h ILE 69 Cb 0.64 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2dat h ILE 69 CO -0.92 0.13 -0.53 0.03 0.00 0.00 0.00 178.15 176.86 2dat h ARG 70 N 0.70 0.04 -0.74 2.37 3.08 0.17 -2.74 114.38 117.26 2dat h ARG 70 Ca 0.33 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 2dat h ARG 70 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2dat h ARG 70 CO -0.21 0.56 0.06 0.09 -1.07 0.00 0.00 179.97 179.40 2dat n ASN 71 N -3.91 4.31 -4.10 7.04 3.02 0.10 -4.92 115.26 116.80 2dat n ASN 71 Ca -0.01 -2.74 -0.30 0.00 -0.03 0.00 0.00 54.58 51.49 2dat n ASN 71 Cb 0.55 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.30 -1.13 -0.04 3.10 8.25 -0.35 -4.83 115.22 120.52 2dat n HIS 72 Ca 0.23 0.44 -0.21 0.00 -0.26 0.00 0.00 57.72 57.92 2dat n HIS 72 Cb 0.99 -2.47 -0.13 0.00 1.12 0.00 0.00 29.99 29.50 2dat n HIS 72 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dat n LYS 73 N -4.27 0.71 -1.97 -0.41 4.76 -0.03 -4.79 118.16 112.16 2dat n LYS 73 Ca -0.25 0.30 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 2dat n LYS 73 Cb 0.60 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 2dat n LYS 73 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dat s TYR 74 N -2.52 2.87 -0.12 2.13 2.02 -1.26 -4.94 117.35 115.53 2dat s TYR 74 Ca -0.26 1.21 -0.04 0.00 -0.37 0.00 0.00 57.07 57.62 2dat s TYR 74 Cb 0.07 -3.85 -0.25 0.00 -0.40 0.00 0.00 41.96 37.54 2dat s TYR 74 CO 0.71 -2.50 0.35 -2.13 -1.57 0.00 0.00 175.55 170.40 2dat n ARG 75 N 1.09 0.74 -4.01 -0.62 3.00 -1.26 -5.02 116.66 110.57 2dat n ARG 75 Ca 0.02 0.25 -0.09 0.00 -0.00 0.00 0.00 57.85 58.03 2dat n ARG 75 Cb 0.40 -1.70 -0.06 0.00 0.00 0.00 0.00 32.46 31.10 2dat n ARG 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dat s SER 76 N -6.87 -0.06 0.14 6.15 0.15 -1.26 -5.06 113.70 106.89 2dat s SER 76 Ca -0.21 -0.97 -0.18 0.00 0.70 0.00 0.00 55.95 55.29 2dat s SER 76 Cb 0.07 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2dat s SER 76 CO 0.76 -1.08 1.71 0.25 1.20 0.00 0.00 173.24 176.08 2dat h LEU 77 N 2.32 -0.13 -1.00 3.45 5.85 -1.97 -2.00 115.31 121.82 2dat h LEU 77 Ca -0.28 0.07 0.39 0.00 0.84 0.00 0.00 57.88 58.90 2dat h LEU 77 Cb 1.25 0.12 -0.17 0.00 0.37 0.00 0.00 40.66 42.23 2dat h LEU 77 CO 0.38 -0.03 0.52 1.23 -0.34 0.00 0.00 178.44 180.20 2dat h GLY 78 N 0.07 2.17 0.73 3.75 0.00 -2.00 0.31 103.07 108.10 2dat h GLY 78 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.32 2dat h GLY 78 CO -0.24 -0.71 -0.13 -1.80 0.00 0.00 0.00 176.54 173.67 2dat h ASP 79 N 0.09 -0.36 -0.79 0.19 1.82 -1.78 -2.39 116.42 113.21 2dat h ASP 79 Ca 0.80 0.05 0.14 0.00 -0.39 0.00 0.00 57.03 57.64 2dat h ASP 79 Cb 2.04 0.15 -0.09 0.00 0.68 0.00 0.00 39.33 42.10 2dat h ASP 79 CO -0.73 -0.19 0.35 0.25 -1.61 0.00 0.00 179.24 177.32 2dat h LEU 80 N -0.24 0.38 -0.38 2.28 5.85 -0.45 -1.20 115.31 121.56 2dat h LEU 80 Ca 0.03 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2dat h LEU 80 Cb 0.27 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2dat h LEU 80 CO -0.10 0.15 0.04 -0.08 -0.34 0.00 0.00 178.44 178.11 2dat h GLU 81 N 0.51 0.15 -0.25 1.25 4.22 -1.13 -0.61 114.58 118.72 2dat h GLU 81 Ca 0.43 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.92 2dat h GLU 81 Cb 0.64 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 2dat h GLU 81 CO -0.39 0.10 -0.33 0.87 -2.18 0.00 0.00 179.01 177.09 2dat h LYS 82 N 0.16 -0.32 0.83 1.92 6.56 -0.89 -0.76 116.57 124.06 2dat h LYS 82 Ca 0.18 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.75 2dat h LYS 82 Cb 0.23 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2dat h LYS 82 CO -0.27 -0.21 -0.44 -0.44 -2.06 0.00 0.00 179.45 176.03 2dat h ASP 83 N -0.33 -1.07 -0.97 0.86 5.19 -1.26 -0.53 116.42 118.30 2dat h ASP 83 Ca 0.13 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.70 2dat h ASP 83 Cb 0.54 0.29 -0.13 0.00 0.18 0.00 0.00 39.33 40.21 2dat h ASP 83 CO -0.44 -0.71 -0.50 0.52 -3.12 0.00 0.00 179.24 174.99 2dat n VAL 84 N -5.25 -0.61 -0.27 -1.35 0.31 -0.27 0.90 118.33 111.80 2dat n VAL 84 Ca -0.14 2.32 0.01 0.00 -0.01 0.00 0.00 64.34 66.52 2dat n VAL 84 Cb 0.47 -2.94 0.22 0.00 -0.91 0.00 0.00 33.84 30.67 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 1.06 -0.29 5.55 2.86 -1.09 -2.47 114.93 120.54 2dat h MET 85 Ca 0.22 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2dat h MET 85 Cb 0.47 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2dat h MET 85 CO -0.93 0.70 0.19 1.25 1.06 0.00 0.00 176.91 179.18 2dat h LEU 86 N 1.09 0.33 -1.91 1.22 7.12 0.22 -1.27 115.31 122.11 2dat h LEU 86 Ca 0.32 -0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.42 2dat h LEU 86 Cb -0.04 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2dat h LEU 86 CO -0.08 0.24 0.29 0.25 -0.13 0.00 0.00 178.44 179.01 2dat h LEU 87 N 0.39 0.09 0.00 2.25 6.46 -0.28 0.26 115.31 124.49 2dat h LEU 87 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2dat h LEU 87 Cb -0.04 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2dat h LEU 87 CO -0.02 0.06 -0.31 0.00 -0.62 0.00 0.00 178.44 177.54 2dat h HIS 89 N 0.00 0.00 -0.83 0.00 -0.00 0.60 -3.19 115.15 111.73 2dat h HIS 89 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.60 2dat h HIS 89 Cb 0.82 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.19 2dat h HIS 89 CO 0.00 0.08 0.58 -2.95 -0.00 0.00 0.00 177.93 175.65 2dat h ASN 90 N -1.00 0.09 -0.03 3.26 7.08 -1.44 -0.32 115.58 123.22 2dat h ASN 90 Ca -0.01 0.01 -0.01 0.00 -3.08 0.00 0.00 56.30 53.22 2dat h ASN 90 Cb 0.19 -0.01 -0.00 0.00 -2.08 0.00 0.00 38.32 36.42 2dat h ASN 90 CO -0.00 0.03 -0.00 0.00 -2.08 0.00 0.00 177.43 175.38 2dat h ALA 91 N 1.60 0.04 -0.03 4.14 0.00 -1.68 -2.70 119.26 120.63 2dat h ALA 91 Ca 0.40 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2dat h ALA 91 Cb 1.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2dat h ALA 91 CO -0.04 -0.27 -0.32 1.96 0.00 0.00 0.00 179.25 180.58 2dat h GLN 92 N -0.27 0.05 -0.31 0.00 4.20 -1.11 0.26 115.11 117.93 2dat h GLN 92 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2dat h GLN 92 Cb 0.35 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2dat h GLN 92 CO 0.00 0.37 0.15 1.15 -0.67 0.00 0.00 178.83 179.83 2dat h THR 93 N 0.05 1.16 0.01 -0.54 2.02 -1.01 -3.32 112.91 111.27 2dat h THR 93 Ca 0.00 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2dat h THR 93 Cb 0.59 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2dat h THR 93 CO 0.04 0.16 -0.00 0.15 0.37 0.00 0.00 175.52 176.24 2dat h PHE 94 N 0.37 -0.01 -4.15 3.16 3.57 -1.32 -3.46 116.94 115.09 2dat h PHE 94 Ca 0.11 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 61.07 2dat h PHE 94 Cb 0.13 0.00 0.15 0.00 2.79 0.00 0.00 35.95 39.02 2dat h PHE 94 CO -0.02 0.17 0.43 -0.80 -2.23 0.00 0.00 178.31 175.86 2dat s ASN 95 N -5.65 4.44 0.73 0.41 0.01 0.07 -4.99 114.94 109.95 2dat s ASN 95 Ca -0.03 2.41 -0.11 0.00 -0.71 0.00 0.00 52.86 54.42 2dat s ASN 95 Cb -0.00 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.09 2dat s ASN 95 CO 0.12 -2.10 1.07 -0.22 -1.51 0.00 0.00 177.10 174.46 2dat s LEU 96 N -4.82 3.08 0.81 0.60 2.96 -1.26 -4.70 118.68 115.35 2dat s LEU 96 Ca 0.76 1.69 -0.11 0.00 -0.22 0.00 0.00 54.13 56.26 2dat s LEU 96 Cb -0.31 -4.49 0.08 0.00 0.50 0.00 0.00 46.19 41.97 2dat s LEU 96 CO 0.42 -1.69 1.09 -1.61 -1.32 0.00 0.00 176.35 173.25 2dat s GLU 97 N -4.99 1.95 -0.31 1.98 8.01 -1.26 -3.27 118.70 120.81 2dat s GLU 97 Ca 0.59 1.07 -0.04 0.00 0.01 0.00 0.00 54.97 56.60 2dat s GLU 97 Cb -0.15 -1.87 0.04 0.00 -4.31 0.00 0.00 34.13 27.84 2dat s GLU 97 CO 0.55 -1.83 0.10 0.41 0.01 0.00 0.00 175.26 174.50 2dat n GLY 98 N -1.18 -0.34 1.99 -1.39 0.00 -1.26 -4.84 105.19 98.17 2dat n GLY 98 Ca 0.08 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2dat n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dat n SER 99 N -1.18 0.68 0.36 1.61 2.88 -1.20 -4.86 113.62 111.91 2dat n SER 99 Ca 0.02 -1.58 -0.15 0.00 -1.33 0.00 0.00 58.87 55.83 2dat n SER 99 Cb 0.35 -0.33 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 2dat n SER 99 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2dat h GLN 100 N 0.00 -0.94 -0.48 -1.46 1.08 -1.88 -2.78 115.11 108.65 2dat h GLN 100 Ca -0.17 0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 56.98 2dat h GLN 100 Cb 0.63 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2dat h GLN 100 CO 0.18 -0.62 -0.16 0.82 -0.95 0.00 0.00 178.83 178.10 2dat h ILE 101 N -0.97 1.27 -0.31 2.54 2.04 -1.96 -3.30 117.51 116.83 2dat h ILE 101 Ca -0.09 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.49 2dat h ILE 101 Cb 0.77 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2dat h ILE 101 CO 0.12 0.45 -0.21 0.22 0.00 0.00 0.00 178.15 178.73 2dat h TYR 102 N 0.82 -0.67 -0.93 1.37 3.20 -1.76 0.34 116.97 119.34 2dat h TYR 102 Ca 0.12 0.04 0.35 0.00 3.14 0.00 0.00 58.73 62.38 2dat h TYR 102 Cb 0.73 0.33 -0.17 0.00 1.54 0.00 0.00 36.73 39.16 2dat h TYR 102 CO 0.05 -0.14 0.37 0.39 -1.64 0.00 0.00 178.16 177.19 2dat n GLU 103 N -3.77 -0.06 0.18 1.82 1.02 -1.05 0.64 120.64 119.41 2dat n GLU 103 Ca 0.00 1.31 -0.14 0.00 -0.02 0.00 0.00 57.16 58.31 2dat n GLU 103 Cb 0.10 -2.27 -0.07 0.00 -0.02 0.00 0.00 31.44 29.18 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 -0.43 -1.15 1.62 5.19 -0.47 -0.83 116.42 120.35 2dat h ASP 104 Ca 0.73 0.03 0.33 0.00 -0.62 0.00 0.00 57.03 57.49 2dat h ASP 104 Cb 1.83 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 41.38 2dat h ASP 104 CO -0.76 -0.28 0.78 0.77 -3.12 0.00 0.00 179.24 176.63 2dat h SER 105 N -0.44 0.25 0.13 6.45 4.64 0.75 0.26 113.55 125.60 2dat h SER 105 Ca -0.03 0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.10 2dat h SER 105 Cb 0.36 0.02 0.03 0.00 -0.31 0.00 0.00 62.40 62.50 2dat h SER 105 CO 0.03 0.01 -1.06 0.40 -0.87 0.00 0.00 176.83 175.35 2dat h ILE 106 N 0.20 1.37 0.83 0.95 5.03 -1.11 -3.31 117.51 121.48 2dat h ILE 106 Ca 0.63 -2.46 -0.04 0.00 -0.12 0.00 0.00 64.86 62.87 2dat h ILE 106 Cb 1.98 2.88 0.01 0.00 -3.03 0.00 0.00 36.82 38.66 2dat h ILE 106 CO -0.21 0.73 -0.40 0.58 -0.68 0.00 0.00 178.15 178.17 2dat h VAL 107 N 0.01 0.00 -0.82 1.67 2.07 0.84 -2.95 116.25 117.07 2dat h VAL 107 Ca -0.17 -0.04 0.24 0.00 0.82 0.00 0.00 66.70 67.55 2dat h VAL 107 Cb 1.79 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.40 2dat h VAL 107 CO 0.20 0.00 0.07 0.18 0.02 0.00 0.00 177.57 178.04 2dat n LEU 108 N -5.11 -0.05 0.23 2.57 4.77 -0.10 0.48 117.00 119.79 2dat n LEU 108 Ca -0.14 1.39 -0.16 0.00 -0.03 0.00 0.00 56.01 57.08 2dat n LEU 108 Cb 0.44 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2dat n LEU 108 CO 0.34 -1.43 0.63 1.56 -1.33 0.00 0.00 177.39 177.16 2dat h GLN 109 N 0.00 -0.71 -0.52 3.23 4.20 -1.61 0.40 115.11 120.09 2dat h GLN 109 Ca 0.52 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.43 2dat h GLN 109 Cb 1.12 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 2dat h GLN 109 CO -0.76 -0.48 0.57 0.77 -0.67 0.00 0.00 178.83 178.27 2dat h SER 110 N -0.74 0.00 0.20 1.46 0.02 0.17 0.16 113.55 114.82 2dat h SER 110 Ca -0.03 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.59 2dat h SER 110 Cb 0.66 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.22 2dat h SER 110 CO -0.05 0.00 -1.57 0.58 -1.14 0.00 0.00 176.83 174.66 2dat h VAL 111 N 0.00 1.10 -0.88 2.27 2.07 -0.57 -3.18 116.25 117.05 2dat h VAL 111 Ca 0.25 -2.56 0.06 0.00 0.82 0.00 0.00 66.70 65.26 2dat h VAL 111 Cb 1.39 2.88 -0.06 0.00 -1.52 0.00 0.00 31.29 33.98 2dat h VAL 111 CO -0.00 0.82 0.55 0.15 0.02 0.00 0.00 177.57 179.11 2dat h PHE 112 N 0.04 1.03 -0.21 1.57 3.57 0.14 -2.07 116.94 121.00 2dat h PHE 112 Ca -0.30 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.20 2dat h PHE 112 Cb 2.06 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 2dat h PHE 112 CO 0.12 0.54 0.01 0.87 -2.23 0.00 0.00 178.31 177.62 2dat h LYS 113 N 1.03 0.37 -0.83 1.11 6.56 -1.52 -2.32 116.57 120.96 2dat h LYS 113 Ca 0.38 -0.11 0.12 0.00 -1.06 0.00 0.00 60.65 59.98 2dat h LYS 113 Cb 0.13 -0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 31.67 2dat h LYS 113 CO -0.16 0.55 0.45 1.03 -2.06 0.00 0.00 179.45 179.25 2dat h SER 114 N 0.14 0.58 -0.37 0.86 0.87 -1.42 0.22 113.55 114.43 2dat h SER 114 Ca 0.06 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 2dat h SER 114 Cb 0.37 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2dat h SER 114 CO 0.01 0.28 0.04 0.00 -0.53 0.00 0.00 176.83 176.63 2dat h ALA 115 N 1.51 0.49 -0.60 6.23 0.00 -1.26 -1.24 119.26 124.39 2dat h ALA 115 Ca 0.43 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2dat h ALA 115 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2dat h ALA 115 CO -0.32 0.22 0.16 -0.09 0.00 0.00 0.00 179.25 179.23 2dat h ARG 116 N 0.46 0.95 0.71 0.00 2.43 -0.71 -3.05 114.38 115.18 2dat h ARG 116 Ca 0.11 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2dat h ARG 116 Cb 0.40 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2dat h ARG 116 CO 0.01 0.87 -0.34 1.96 -1.51 0.00 0.00 179.97 180.96 2dat h GLN 117 N 0.87 -0.92 -0.63 0.20 1.08 -0.52 -3.27 115.11 111.92 2dat h GLN 117 Ca 0.19 0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.51 2dat h GLN 117 Cb 0.33 0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 27.90 2dat h GLN 117 CO -0.00 -0.59 -0.37 0.43 -0.95 0.00 0.00 178.83 177.35 2dat n SER 118 N -5.44 -0.67 0.00 1.46 7.64 -0.48 -4.92 113.62 111.21 2dat n SER 118 Ca -0.13 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2dat n SER 118 Cb 0.39 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2dat n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 119 N -1.16 -1.77 0.20 0.23 0.00 -1.15 -4.49 105.19 97.05 2dat n GLY 119 Ca 0.01 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 2dat n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat h PRO 120 N 0.00 0.65 -6.93 1.61 0.13 -1.92 -3.44 132.00 122.11 2dat h PRO 120 Ca 0.00 -0.34 -0.48 0.00 -0.87 0.00 0.00 66.00 64.31 2dat h PRO 120 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dat h PRO 120 CO 0.00 0.95 0.39 -1.12 -0.23 0.00 0.00 178.00 177.99 2dat s SER 121 N -6.48 7.01 0.52 1.44 0.01 -1.26 -5.07 113.70 109.87 2dat s SER 121 Ca -0.13 1.96 0.05 0.00 1.31 0.00 0.00 55.95 59.14 2dat s SER 121 Cb 0.08 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.74 2dat s SER 121 CO 0.82 -0.31 0.27 -0.94 0.41 0.00 0.00 173.24 173.49 2dat s SER 122 N -1.56 4.48 0.00 2.44 1.04 -1.26 -4.94 113.70 113.89 2dat s SER 122 Ca 0.54 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2dat s SER 122 Cb -0.21 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2dat s SER 122 CO 0.26 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.12