#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 6.49 0.12 1.61 0.15 -1.26 -4.97 113.70 115.85 2dat s SER 2 Ca 0.00 0.13 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 2dat s SER 2 Cb 0.00 -2.51 -0.14 0.00 -1.71 0.00 0.00 66.02 61.66 2dat s SER 2 CO 0.00 -1.28 0.53 -1.20 1.20 0.00 0.00 173.24 172.48 2dat n SER 3 N 7.83 -0.78 0.00 5.45 7.64 -1.26 -4.78 113.62 127.72 2dat n SER 3 Ca 0.08 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2dat n SER 3 Cb 0.49 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dat n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 4 N 1.53 -0.07 3.45 0.23 0.00 -1.26 -5.16 105.19 103.91 2dat n GLY 4 Ca 0.15 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.00 3.71 -0.35 1.61 0.01 -1.26 -5.05 113.70 108.36 2dat s SER 5 Ca 0.00 -0.57 -0.39 0.00 1.31 0.00 0.00 55.95 56.30 2dat s SER 5 Cb 0.00 -0.48 -0.15 0.00 0.21 0.00 0.00 66.02 65.60 2dat s SER 5 CO 0.00 0.20 1.98 -1.20 0.41 0.00 0.00 173.24 174.63 2dat n SER 6 N 1.06 1.98 -0.15 2.44 7.64 -1.26 -4.63 113.62 120.69 2dat n SER 6 Ca -0.16 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2dat n SER 6 Cb 0.53 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2dat n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 7 N 5.67 0.18 3.23 0.23 0.00 -1.26 -4.77 105.19 108.46 2dat n GLY 7 Ca 0.37 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2dat n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dat s SER 8 N -4.00 2.56 -0.84 1.61 1.04 -1.26 -5.07 113.70 107.74 2dat s SER 8 Ca 0.00 -0.40 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 2dat s SER 8 Cb 0.00 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2dat s SER 8 CO 0.00 0.25 1.93 -2.16 0.98 0.00 0.00 173.24 174.24 2dat s PRO 9 N -0.38 2.57 0.67 4.02 0.04 -1.26 -4.95 135.00 135.70 2dat s PRO 9 Ca 0.05 -0.10 -0.17 0.00 0.04 0.00 0.00 61.00 60.82 2dat s PRO 9 Cb -0.10 -4.92 -0.06 0.00 0.04 0.00 0.00 34.50 29.46 2dat s PRO 9 CO 0.00 -3.25 0.46 0.27 0.04 0.00 0.00 177.00 174.53 2dat n ASN 10 N 13.74 -1.39 -4.67 6.66 0.23 -1.26 -4.96 115.26 123.61 2dat n ASN 10 Ca 0.36 0.63 -0.28 0.00 -0.53 0.00 0.00 54.58 54.76 2dat n ASN 10 Cb 0.48 -1.17 0.18 0.00 -2.08 0.00 0.00 39.78 37.19 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2dat s PRO 11 N -2.42 0.29 0.22 -0.53 0.04 -1.26 -4.76 135.00 126.58 2dat s PRO 11 Ca 0.66 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 2dat s PRO 11 Cb -0.38 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.63 2dat s PRO 11 CO 0.58 -2.82 1.58 -1.00 0.04 0.00 0.00 177.00 175.38 2dat h PRO 12 N -1.96 0.56 -0.64 0.56 0.13 -1.98 -0.15 132.00 128.53 2dat h PRO 12 Ca -0.55 -0.29 -0.06 0.00 -0.87 0.00 0.00 66.00 64.23 2dat h PRO 12 Cb 1.33 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 2dat h PRO 12 CO 0.58 0.88 0.17 0.87 -0.23 0.00 0.00 178.00 180.27 2dat h LYS 13 N 0.46 0.99 0.00 0.86 1.79 -1.99 -2.07 116.57 116.60 2dat h LYS 13 Ca 0.04 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 2dat h LYS 13 Cb 0.93 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2dat h LYS 13 CO 0.08 0.87 -0.06 1.25 -1.08 0.00 0.00 179.45 180.51 2dat h LEU 14 N 0.95 0.00 -0.84 2.94 6.46 -1.92 -3.11 115.31 119.79 2dat h LEU 14 Ca 0.20 -0.08 0.15 0.00 -0.12 0.00 0.00 57.88 58.03 2dat h LEU 14 Cb 0.32 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.10 2dat h LEU 14 CO -0.00 0.57 -0.31 0.74 -0.62 0.00 0.00 178.44 178.82 2dat h THR 15 N -1.00 0.10 -0.54 1.05 2.02 -1.10 0.28 112.91 113.73 2dat h THR 15 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2dat h THR 15 Cb 0.14 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 2dat h THR 15 CO -0.00 0.00 0.30 0.50 0.37 0.00 0.00 175.52 176.68 2dat h LYS 16 N -0.04 0.56 -0.91 6.66 1.63 -1.54 -2.83 116.57 120.10 2dat h LYS 16 Ca 0.34 -0.03 0.13 0.00 -0.85 0.00 0.00 60.65 60.24 2dat h LYS 16 Cb 0.60 -0.13 -0.14 0.00 -0.60 0.00 0.00 32.23 31.96 2dat h LYS 16 CO -0.87 0.37 -0.38 0.94 -3.45 0.00 0.00 179.45 176.06 2dat n GLN 17 N -4.83 -0.24 0.02 1.90 -0.06 0.98 0.12 117.38 115.28 2dat n GLN 17 Ca 0.05 1.39 -0.13 0.00 -2.00 0.00 0.00 57.00 56.32 2dat n GLN 17 Cb 0.12 -2.07 -0.06 0.00 -4.06 0.00 0.00 30.24 24.17 2dat n GLN 17 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2dat h MET 18 N 0.00 -0.50 0.77 3.69 2.86 -1.39 -2.49 114.93 117.87 2dat h MET 18 Ca 0.29 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 2dat h MET 18 Cb 0.52 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 2dat h MET 18 CO -0.89 -0.33 -0.46 -0.91 1.06 0.00 0.00 176.91 175.37 2dat h ASN 19 N -0.52 -1.16 -1.53 1.22 2.35 -0.71 -2.07 115.58 113.16 2dat h ASN 19 Ca 0.06 0.06 0.45 0.00 -0.55 0.00 0.00 56.30 56.33 2dat h ASN 19 Cb 0.63 0.33 -0.07 0.00 0.05 0.00 0.00 38.32 39.27 2dat h ASN 19 CO -0.36 -0.72 1.09 0.00 -1.65 0.00 0.00 177.43 175.79 2dat n ALA 20 N -2.69 1.47 -0.06 -0.83 0.00 0.12 0.15 120.51 118.68 2dat n ALA 20 Ca -0.14 0.54 -0.17 0.00 0.00 0.00 0.00 53.44 53.67 2dat n ALA 20 Cb 0.48 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 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 1.52 0.23 0.00 2.04 -0.94 -3.33 117.51 117.03 2dat h ILE 21 Ca 0.75 -2.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 2dat h ILE 21 Cb 2.94 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 42.10 2dat h ILE 21 CO -0.04 0.57 -0.11 0.40 0.00 0.00 0.00 178.15 178.96 2dat h ILE 22 N -0.87 0.84 -0.30 -0.67 1.08 0.21 -1.98 117.51 115.83 2dat h ILE 22 Ca -0.11 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 63.90 2dat h ILE 22 Cb 1.20 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2dat h ILE 22 CO -0.02 0.12 0.79 -0.78 -0.69 0.00 0.00 178.15 177.56 2dat h ASP 23 N -0.59 0.00 0.21 1.72 1.82 -0.50 1.04 116.42 120.13 2dat h ASP 23 Ca -0.03 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.27 2dat h ASP 23 Cb 0.43 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.39 2dat h ASP 23 CO 0.05 0.00 -2.06 0.41 -1.61 0.00 0.00 179.24 176.03 2dat n THR 24 N -2.96 1.57 -0.03 2.25 -1.04 -1.01 -3.46 114.28 109.60 2dat n THR 24 Ca 0.06 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.05 61.19 2dat n THR 24 Cb 0.90 -1.09 -0.10 0.00 -1.82 0.00 0.00 70.33 68.21 2dat n THR 24 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2dat h VAL 25 N 0.02 1.40 -0.45 12.58 2.07 0.17 -1.89 116.25 130.14 2dat h VAL 25 Ca -0.43 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.38 2dat h VAL 25 Cb 2.06 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 34.28 2dat h VAL 25 CO 0.04 0.41 0.12 0.40 0.02 0.00 0.00 177.57 178.57 2dat h ILE 26 N -0.82 1.19 -0.22 4.57 2.04 -0.79 -2.80 117.51 120.69 2dat h ILE 26 Ca -0.00 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 2dat h ILE 26 Cb 0.70 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2dat h ILE 26 CO 0.01 0.25 -0.38 0.78 0.00 0.00 0.00 178.15 178.80 2dat h ASN 27 N 0.65 0.72 -1.50 1.72 -0.26 -1.64 -3.41 115.58 111.86 2dat h ASN 27 Ca 0.15 -0.53 -0.50 0.00 -0.56 0.00 0.00 56.30 54.85 2dat h ASN 27 Cb 0.22 -0.21 0.14 0.00 -1.06 0.00 0.00 38.32 37.41 2dat h ASN 27 CO -0.01 1.11 -0.86 0.00 -1.06 0.00 0.00 177.43 176.62 2dat n TYR 28 N -4.24 -2.02 -4.12 1.19 4.19 -0.71 -4.92 117.16 106.52 2dat n TYR 28 Ca -0.05 0.45 -0.15 0.00 3.31 0.00 0.00 57.90 61.46 2dat n TYR 28 Cb 0.53 -1.43 -0.11 0.00 0.49 0.00 0.00 39.34 38.81 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 -0.82 0.69 0.81 2.98 -2.85 -1.26 -4.43 119.74 114.86 2dat s LYS 29 Ca 0.48 -0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 54.42 2dat s LYS 29 Cb -0.47 -0.53 0.09 0.00 -2.06 0.00 0.00 37.83 34.85 2dat s LYS 29 CO 0.53 0.10 1.16 0.16 0.10 0.00 0.00 175.35 177.41 2dat s ASP 30 N -1.80 3.72 0.33 0.03 -4.77 -0.30 -4.78 116.67 109.10 2dat s ASP 30 Ca -0.04 2.21 0.11 0.00 -3.30 0.00 0.00 52.55 51.53 2dat s ASP 30 Cb -0.09 -2.57 1.03 0.00 -1.09 0.00 0.00 42.92 40.20 2dat s ASP 30 CO 0.01 -2.57 1.52 -0.24 0.70 0.00 0.00 175.17 174.58 2dat n SER 31 N -3.46 0.12 0.08 2.11 2.88 -1.26 0.56 113.62 114.66 2dat n SER 31 Ca 0.12 1.62 -0.13 0.00 -1.33 0.00 0.00 58.87 59.15 2dat n SER 31 Cb 0.51 -0.69 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 2dat n SER 31 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dat h SER 32 N 0.00 -0.12 0.00 -3.46 0.87 -2.06 -3.47 113.55 105.31 2dat h SER 32 Ca 0.71 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2dat h SER 32 Cb 1.70 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2dat h SER 32 CO -0.82 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.10 2dat n GLY 33 N -0.88 0.45 3.50 5.77 0.00 0.19 -5.17 105.19 109.06 2dat n GLY 33 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2dat n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dat s ARG 34 N 0.00 1.78 -0.74 1.61 0.52 -1.25 -4.86 118.95 116.00 2dat s ARG 34 Ca 0.00 -1.58 -0.17 0.00 -0.52 0.00 0.00 55.73 53.46 2dat s ARG 34 Cb 0.00 -1.90 0.15 0.00 0.52 0.00 0.00 34.95 33.72 2dat s ARG 34 CO 0.00 0.37 0.81 -1.14 0.02 0.00 0.00 175.30 175.36 2dat s GLN 35 N -3.21 3.35 0.21 3.54 0.74 -1.26 -1.15 119.66 121.88 2dat s GLN 35 Ca 0.27 -1.83 -0.10 0.00 0.05 0.00 0.00 55.36 53.75 2dat s GLN 35 Cb -0.07 -4.47 0.18 0.00 1.10 0.00 0.00 33.01 29.75 2dat s GLN 35 CO 0.14 -1.50 1.85 -0.07 -0.55 0.00 0.00 175.29 175.17 2dat h LEU 36 N 9.28 0.74 -1.20 3.68 4.07 -1.88 -1.74 115.31 128.27 2dat h LEU 36 Ca -0.06 -0.01 0.24 0.00 0.08 0.00 0.00 57.88 58.13 2dat h LEU 36 Cb 1.06 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 2dat h LEU 36 CO 0.98 0.52 1.03 0.77 -1.08 0.00 0.00 178.44 180.66 2dat h SER 37 N 0.88 0.00 -0.35 -0.43 4.64 -1.86 -0.68 113.55 115.76 2dat h SER 37 Ca 0.28 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 2dat h SER 37 Cb -0.01 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 2dat h SER 37 CO -0.09 0.00 -0.47 -0.33 -0.87 0.00 0.00 176.83 175.06 2dat h GLU 38 N 0.00 -0.38 0.00 4.77 5.08 -1.65 0.86 114.58 123.26 2dat h GLU 38 Ca 0.39 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2dat h GLU 38 Cb 2.43 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.77 2dat h GLU 38 CO -0.00 -0.25 0.00 1.33 -1.00 0.00 0.00 179.01 179.08 2dat n VAL 39 N -5.41 0.32 -0.06 3.13 0.24 -0.26 -1.82 118.33 114.47 2dat n VAL 39 Ca -0.02 0.08 0.04 0.00 -2.04 0.00 0.00 64.34 62.40 2dat n VAL 39 Cb 0.35 -0.81 0.10 0.00 -1.47 0.00 0.00 33.84 32.02 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 -1.18 0.28 0.06 6.34 3.72 0.25 -4.68 117.46 122.25 2dat n PHE 40 Ca 0.10 -0.43 -0.08 0.00 -0.05 0.00 0.00 57.45 56.99 2dat n PHE 40 Cb 0.11 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2dat h ILE 41 N 1.41 0.51 -2.47 4.37 1.08 0.71 -0.77 117.51 122.35 2dat h ILE 41 Ca 0.00 -1.05 -0.52 0.00 -0.39 0.00 0.00 64.86 62.90 2dat h ILE 41 Cb 0.61 0.88 -0.14 0.00 -3.07 0.00 0.00 36.82 35.11 2dat h ILE 41 CO 0.00 0.14 -0.64 0.00 -0.69 0.00 0.00 178.15 176.96 2dat s GLN 42 N -2.89 1.68 0.27 2.37 1.03 -1.26 -2.57 119.66 118.28 2dat s GLN 42 Ca -0.09 -1.90 0.10 0.00 0.04 0.00 0.00 55.36 53.51 2dat s GLN 42 Cb 0.00 -1.20 -0.04 0.00 0.03 0.00 0.00 33.01 31.80 2dat s GLN 42 CO 0.32 -0.04 -0.06 -0.51 -2.54 0.00 0.00 175.29 172.47 2dat s LEU 43 N -3.52 3.04 -0.07 2.60 1.43 -1.26 -4.98 118.68 115.92 2dat s LEU 43 Ca 0.33 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 2dat s LEU 43 Cb 0.06 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2dat s LEU 43 CO 0.14 0.01 1.50 -2.16 0.23 0.00 0.00 176.35 176.08 2dat s PRO 44 N -3.62 4.21 0.76 1.29 0.04 -1.26 -4.96 135.00 131.46 2dat s PRO 44 Ca 0.31 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 2dat s PRO 44 Cb -0.06 -3.85 -0.15 0.00 0.04 0.00 0.00 34.50 30.48 2dat s PRO 44 CO 0.19 -0.76 -0.48 0.43 0.04 0.00 0.00 177.00 176.42 2dat n SER 45 N 6.67 -4.90 0.21 6.66 7.64 -1.26 -4.63 113.62 124.00 2dat n SER 45 Ca 0.16 0.41 -0.12 0.00 1.01 0.00 0.00 58.87 60.32 2dat n SER 45 Cb 0.43 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.52 -0.55 -0.92 1.43 3.08 -1.93 -1.60 114.38 113.37 2dat h ARG 46 Ca -0.43 0.04 0.26 0.00 0.07 0.00 0.00 59.98 59.92 2dat h ARG 46 Cb 1.37 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 31.39 2dat h ARG 46 CO 0.32 -0.25 0.24 -0.22 -1.07 0.00 0.00 179.97 178.99 2dat h LYS 47 N -1.00 0.15 0.15 0.04 1.63 -1.97 0.74 116.57 116.30 2dat h LYS 47 Ca -0.06 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2dat h LYS 47 Cb 0.55 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2dat h LYS 47 CO 0.10 0.10 -0.07 0.93 -3.45 0.00 0.00 179.45 177.05 2dat h GLU 48 N 0.15 -0.19 -2.61 1.90 4.39 -1.90 -3.39 114.58 112.93 2dat h GLU 48 Ca 0.60 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 59.71 2dat h GLU 48 Cb 1.26 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.56 2dat h GLU 48 CO -0.72 0.18 -0.82 -0.11 -1.16 0.00 0.00 179.01 176.39 2dat n LEU 49 N -5.00 0.97 0.25 1.33 7.94 -0.06 -4.94 117.00 117.50 2dat n LEU 49 Ca -0.09 -4.73 0.16 0.00 -1.11 0.00 0.00 56.01 50.25 2dat n LEU 49 Cb 0.24 0.03 0.66 0.00 0.53 0.00 0.00 43.42 44.88 2dat n LEU 49 CO 0.31 1.84 0.97 1.55 -1.11 0.00 0.00 177.39 180.95 2dat h PRO 50 N 5.43 0.00 -0.32 1.96 0.13 0.19 -3.03 132.00 136.36 2dat h PRO 50 Ca 0.22 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.20 2dat h PRO 50 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2dat h PRO 50 CO 0.52 0.00 -0.36 1.05 -0.23 0.00 0.00 178.00 178.98 2dat h GLU 51 N 0.00 0.81 -0.21 0.86 4.11 -1.92 -2.60 114.58 115.63 2dat h GLU 51 Ca 0.00 -0.44 0.06 0.00 0.07 0.00 0.00 59.36 59.05 2dat h GLU 51 Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2dat h GLU 51 CO 0.00 1.07 0.40 -0.92 0.07 0.00 0.00 179.01 179.63 2dat h TYR 52 N 0.58 0.00 0.00 2.06 5.03 -1.92 0.24 116.97 122.96 2dat h TYR 52 Ca 0.05 0.00 -0.30 0.00 2.58 0.00 0.00 58.73 61.06 2dat h TYR 52 Cb 0.94 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.17 2dat h TYR 52 CO 0.07 0.00 -1.96 0.66 -1.32 0.00 0.00 178.16 175.61 2dat n TYR 53 N -3.30 0.55 0.43 -3.82 4.02 -1.09 -3.32 117.16 110.62 2dat n TYR 53 Ca 0.03 0.20 -0.17 0.00 -0.01 0.00 0.00 57.90 57.94 2dat n TYR 53 Cb 0.51 -1.07 -0.08 0.00 -0.02 0.00 0.00 39.34 38.68 2dat n TYR 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dat h GLU 54 N 0.00 -1.06 -0.40 -0.72 5.08 -0.16 -3.25 114.58 114.07 2dat h GLU 54 Ca -0.37 0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 2dat h GLU 54 Cb 2.02 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.50 2dat h GLU 54 CO 0.05 -0.71 -0.03 1.37 -1.00 0.00 0.00 179.01 178.69 2dat h LEU 55 N -1.16 0.72 -9.56 1.33 -0.00 -1.68 -3.43 115.31 101.54 2dat h LEU 55 Ca -0.11 -0.33 -0.53 0.00 -0.00 0.00 0.00 57.88 56.91 2dat h LEU 55 Cb 0.84 -0.20 0.02 0.00 -0.00 0.00 0.00 40.66 41.33 2dat h LEU 55 CO 0.18 0.88 0.67 -0.63 -0.00 0.00 0.00 178.44 179.54 2dat s ILE 56 N -4.93 3.44 -0.02 0.15 -1.09 -1.21 -4.97 121.20 112.58 2dat s ILE 56 Ca -0.13 1.07 -0.10 0.00 -2.23 0.00 0.00 60.65 59.25 2dat s ILE 56 Cb 0.10 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 2dat s ILE 56 CO 0.80 0.10 0.57 0.03 -1.23 0.00 0.00 174.94 175.21 2dat h ARG 57 N 6.50 -0.36 -2.94 2.79 2.47 -1.83 -3.43 114.38 117.57 2dat h ARG 57 Ca -0.43 0.02 -0.61 0.00 -1.26 0.00 0.00 59.98 57.71 2dat h ARG 57 Cb 1.21 0.08 -0.40 0.00 -1.65 0.00 0.00 29.97 29.21 2dat h ARG 57 CO 0.83 -0.24 -0.75 0.15 0.56 0.00 0.00 179.97 180.52 2dat s LYS 58 N -2.86 1.29 -0.30 0.04 1.02 -1.26 -5.06 119.74 112.61 2dat s LYS 58 Ca -0.06 -2.05 -0.29 0.00 0.02 0.00 0.00 55.97 53.60 2dat s LYS 58 Cb 0.01 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 35.00 2dat s LYS 58 CO 0.17 -1.18 1.66 -1.25 -0.92 0.00 0.00 175.35 173.83 2dat s PRO 59 N 0.27 3.56 0.06 -1.68 0.04 -1.26 -4.90 135.00 131.10 2dat s PRO 59 Ca 0.19 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.73 2dat s PRO 59 Cb -0.22 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.19 2dat s PRO 59 CO -0.02 -1.58 -0.14 0.54 0.04 0.00 0.00 177.00 175.84 2dat s VAL 60 N 5.97 1.12 0.46 -0.36 0.11 -1.26 -5.10 120.40 121.34 2dat s VAL 60 Ca 0.74 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 2dat s VAL 60 Cb -0.22 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2dat s VAL 60 CO 0.32 -0.17 0.06 -0.90 -3.33 0.00 0.00 175.10 171.08 2dat n ASP 61 N 1.42 2.55 0.11 3.54 5.68 -1.26 -4.43 116.55 124.17 2dat n ASP 61 Ca -0.20 -3.17 -0.05 0.00 -0.50 0.00 0.00 54.79 50.88 2dat n ASP 61 Cb 0.54 0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 41.11 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2dat h PHE 62 N 1.41 -0.27 -1.29 2.11 0.04 -1.15 -1.99 116.94 115.80 2dat h PHE 62 Ca -0.37 -0.01 0.37 0.00 2.80 0.00 0.00 57.97 60.76 2dat h PHE 62 Cb 1.23 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 39.42 2dat h PHE 62 CO 0.00 -0.17 1.27 0.36 -0.60 0.00 0.00 178.31 179.17 2dat n LYS 63 N -3.01 0.01 -0.02 1.51 2.85 -1.06 0.00 118.16 118.44 2dat n LYS 63 Ca -0.04 1.02 -0.03 0.00 -1.05 0.00 0.00 58.31 58.22 2dat n LYS 63 Cb 0.12 -2.49 -0.02 0.00 -0.65 0.00 0.00 35.03 31.99 2dat n LYS 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2dat h LYS 64 N 0.00 -0.08 -0.98 -1.58 1.79 -1.74 -3.02 116.57 110.96 2dat h LYS 64 Ca 0.61 0.01 0.33 0.00 -2.18 0.00 0.00 60.65 59.42 2dat h LYS 64 Cb 3.14 0.02 -0.17 0.00 -1.58 0.00 0.00 32.23 33.64 2dat h LYS 64 CO -0.01 0.04 0.38 0.82 -1.08 0.00 0.00 179.45 179.61 2dat h ILE 65 N -1.02 0.13 -0.17 1.86 2.04 0.35 1.35 117.51 122.06 2dat h ILE 65 Ca -0.01 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 2dat h ILE 65 Cb 0.16 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2dat h ILE 65 CO 0.01 0.02 -0.39 0.11 0.00 0.00 0.00 178.15 177.90 2dat h LYS 66 N 0.12 0.39 0.00 2.37 1.57 -1.56 -2.67 116.57 116.79 2dat h LYS 66 Ca 0.71 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2dat h LYS 66 Cb 1.68 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 2dat h LYS 66 CO -0.74 0.72 -0.00 1.49 -0.57 0.00 0.00 179.45 180.35 2dat h GLU 67 N 0.32 0.00 0.05 3.15 4.57 0.19 -2.55 114.58 120.32 2dat h GLU 67 Ca 0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 2dat h GLU 67 Cb 0.84 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2dat h GLU 67 CO 0.07 0.00 -0.62 0.00 -1.18 0.00 0.00 179.01 177.28 2dat h ARG 68 N 0.00 0.11 -0.45 1.92 2.47 -1.12 -3.12 114.38 114.20 2dat h ARG 68 Ca -0.00 -0.19 0.08 0.00 -1.26 0.00 0.00 59.98 58.61 2dat h ARG 68 Cb 0.00 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 28.30 2dat h ARG 68 CO 0.00 1.09 -0.42 0.82 0.56 0.00 0.00 179.97 182.02 2dat h ILE 69 N -0.74 0.12 -0.13 2.04 2.04 -1.31 0.22 117.51 119.76 2dat h ILE 69 Ca -0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2dat h ILE 69 Cb 1.32 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2dat h ILE 69 CO 0.01 0.00 -0.04 0.08 0.00 0.00 0.00 178.15 178.20 2dat h ARG 70 N -0.29 0.19 -0.90 2.37 0.11 -1.68 -1.23 114.38 112.94 2dat h ARG 70 Ca 0.15 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.18 2dat h ARG 70 Cb 0.57 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2dat h ARG 70 CO -0.60 0.25 0.03 0.09 0.10 0.00 0.00 179.97 179.84 2dat n ASN 71 N -4.38 2.41 -3.49 0.08 3.02 0.70 -4.86 115.26 108.74 2dat n ASN 71 Ca -0.01 -2.28 -0.26 0.00 -0.03 0.00 0.00 54.58 52.00 2dat n ASN 71 Cb 0.19 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.15 -1.05 0.00 3.10 8.25 -0.47 -4.76 115.22 120.45 2dat n HIS 72 Ca 0.09 0.42 -0.18 0.00 -0.26 0.00 0.00 57.72 57.79 2dat n HIS 72 Cb 0.55 -1.31 -0.14 0.00 1.12 0.00 0.00 29.99 30.21 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 -0.53 0.18 -6.31 -0.41 1.79 -1.53 -3.44 116.57 106.32 2dat h LYS 73 Ca -0.37 -0.31 -0.54 0.00 -2.18 0.00 0.00 60.65 57.25 2dat h LYS 73 Cb 1.02 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2dat h LYS 73 CO 0.55 1.15 1.09 0.71 -1.08 0.00 0.00 179.45 181.87 2dat s TYR 74 N -2.35 1.94 0.20 -1.35 2.02 -1.26 -4.89 117.35 111.65 2dat s TYR 74 Ca -0.16 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 2dat s TYR 74 Cb -0.01 -3.98 0.13 0.00 -0.40 0.00 0.00 41.96 37.70 2dat s TYR 74 CO 0.78 -4.15 1.85 -0.09 -1.57 0.00 0.00 175.55 172.36 2dat h ARG 75 N 9.50 0.93 -3.47 -0.62 1.12 -1.97 -3.46 114.38 116.41 2dat h ARG 75 Ca -0.42 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 58.35 2dat h ARG 75 Cb 1.19 -0.20 -0.07 0.00 -0.01 0.00 0.00 29.97 30.88 2dat h ARG 75 CO 0.95 0.65 -0.01 -1.54 -3.11 0.00 0.00 179.97 176.91 2dat s SER 76 N -5.90 -0.09 0.21 -3.80 1.04 -1.26 -4.99 113.70 98.91 2dat s SER 76 Ca -0.13 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 2dat s SER 76 Cb 0.14 0.64 0.28 0.00 0.10 0.00 0.00 66.02 67.19 2dat s SER 76 CO 0.78 -1.23 1.68 0.25 0.98 0.00 0.00 173.24 175.69 2dat h LEU 77 N 2.17 -0.18 -0.99 2.42 5.85 -1.90 -0.82 115.31 121.86 2dat h LEU 77 Ca -0.24 0.14 0.37 0.00 0.84 0.00 0.00 57.88 58.98 2dat h LEU 77 Cb 1.25 0.23 -0.18 0.00 0.37 0.00 0.00 40.66 42.33 2dat h LEU 77 CO 0.32 -0.07 0.44 1.23 -0.34 0.00 0.00 178.44 180.02 2dat h GLY 78 N 0.16 2.03 0.57 3.75 0.00 -2.00 0.26 103.07 107.83 2dat h GLY 78 Ca 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.56 2dat h GLY 78 CO -0.48 -0.70 -0.21 -0.55 0.00 0.00 0.00 176.54 174.60 2dat h ASP 79 N 0.05 -0.61 -0.80 0.19 5.19 -1.56 -2.55 116.42 116.33 2dat h ASP 79 Ca 0.78 0.08 0.16 0.00 -0.62 0.00 0.00 57.03 57.42 2dat h ASP 79 Cb 1.95 0.24 -0.15 0.00 0.18 0.00 0.00 39.33 41.55 2dat h ASP 79 CO -0.77 -0.29 -0.23 0.25 -3.12 0.00 0.00 179.24 175.08 2dat h LEU 80 N -0.37 -0.84 -0.09 1.55 5.85 -0.57 -1.57 115.31 119.28 2dat h LEU 80 Ca 0.04 0.25 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2dat h LEU 80 Cb 0.42 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2dat h LEU 80 CO -0.16 -0.27 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.25 2dat h GLU 81 N -0.02 -0.34 -0.96 1.25 4.81 -1.38 0.24 114.58 118.18 2dat h GLU 81 Ca 0.37 0.02 0.38 0.00 -0.13 0.00 0.00 59.36 60.00 2dat h GLU 81 Cb 0.59 0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.90 2dat h GLU 81 CO -0.83 -0.23 0.56 1.63 -0.73 0.00 0.00 179.01 179.41 2dat n LYS 82 N -4.33 -0.05 -0.00 1.92 5.02 -0.61 -0.40 118.16 119.72 2dat n LYS 82 Ca -0.04 1.16 -0.04 0.00 -2.02 0.00 0.00 58.31 57.37 2dat n LYS 82 Cb 0.23 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.07 2dat n LYS 82 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dat h ASP 83 N 0.00 -0.10 -0.85 4.39 5.19 -0.83 -2.98 116.42 121.24 2dat h ASP 83 Ca 0.74 -0.14 0.12 0.00 -0.62 0.00 0.00 57.03 57.13 2dat h ASP 83 Cb 2.10 0.03 -0.13 0.00 0.18 0.00 0.00 39.33 41.50 2dat h ASP 83 CO -0.59 0.45 -0.43 0.58 -3.12 0.00 0.00 179.24 176.13 2dat h VAL 84 N -1.01 0.04 -0.21 -1.35 2.07 0.22 1.00 116.25 117.01 2dat h VAL 84 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2dat h VAL 84 Cb 0.24 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2dat h VAL 84 CO 0.02 0.00 0.14 0.24 0.02 0.00 0.00 177.57 177.99 2dat h MET 85 N -0.08 0.27 0.16 1.57 2.86 -1.20 -2.56 114.93 115.94 2dat h MET 85 Ca 0.26 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2dat h MET 85 Cb 0.55 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2dat h MET 85 CO -0.87 0.18 -0.08 1.25 1.06 0.00 0.00 176.91 178.45 2dat h LEU 86 N 0.28 -0.18 -2.00 1.22 5.85 0.10 -1.46 115.31 119.12 2dat h LEU 86 Ca 0.08 -0.32 0.17 0.00 0.84 0.00 0.00 57.88 58.64 2dat h LEU 86 Cb -0.02 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2dat h LEU 86 CO -0.02 0.27 0.45 0.25 -0.34 0.00 0.00 178.44 179.05 2dat h LEU 87 N -0.67 0.00 0.00 2.25 6.46 -0.24 0.57 115.31 123.69 2dat h LEU 87 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2dat h LEU 87 Cb 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2dat h LEU 87 CO 0.04 0.00 -0.70 0.00 -0.62 0.00 0.00 178.44 177.16 2dat h HIS 89 N 0.00 0.00 0.00 0.00 2.76 0.12 -3.31 115.15 114.71 2dat h HIS 89 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2dat h HIS 89 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2dat h HIS 89 CO 0.00 0.29 0.29 -2.95 -1.30 0.00 0.00 177.93 174.26 2dat h ASN 90 N -1.00 0.00 0.38 3.26 7.08 -1.12 0.26 115.58 124.45 2dat h ASN 90 Ca -0.04 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 52.97 2dat h ASN 90 Cb 0.44 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.67 2dat h ASN 90 CO -0.02 0.00 -0.89 0.00 -2.08 0.00 0.00 177.43 174.44 2dat h ALA 91 N 1.39 0.44 0.00 4.14 0.00 -1.68 -3.16 119.26 120.40 2dat h ALA 91 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 54.91 53.99 2dat h ALA 91 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2dat h ALA 91 CO 0.00 0.83 -1.13 1.96 0.00 0.00 0.00 179.25 180.91 2dat h GLN 92 N 0.21 0.00 -0.64 0.00 4.20 -0.60 -2.32 115.11 115.97 2dat h GLN 92 Ca -0.06 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2dat h GLN 92 Cb 1.52 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.27 2dat h GLN 92 CO 0.15 0.87 0.28 1.15 -0.67 0.00 0.00 178.83 180.61 2dat h THR 93 N 0.00 1.21 0.00 -0.54 2.02 -1.38 -3.31 112.91 110.91 2dat h THR 93 Ca -0.07 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2dat h THR 93 Cb 1.80 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2dat h THR 93 CO 0.12 0.26 -0.43 0.15 0.37 0.00 0.00 175.52 175.98 2dat h PHE 94 N 0.91 0.00 -3.71 3.16 3.57 -1.63 -3.48 116.94 115.76 2dat h PHE 94 Ca 0.22 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 61.24 2dat h PHE 94 Cb 0.13 0.00 0.21 0.00 2.79 0.00 0.00 35.95 39.08 2dat h PHE 94 CO 0.01 0.10 0.10 -0.80 -2.23 0.00 0.00 178.31 175.49 2dat s ASN 95 N -5.76 1.79 0.65 0.41 0.01 -0.87 -5.02 114.94 106.15 2dat s ASN 95 Ca -0.12 1.84 -0.05 0.00 -0.71 0.00 0.00 52.86 53.81 2dat s ASN 95 Cb 0.02 -2.44 0.05 0.00 0.41 0.00 0.00 41.25 39.29 2dat s ASN 95 CO 0.20 -3.75 0.95 -0.76 -1.51 0.00 0.00 177.10 172.23 2dat s LEU 96 N -6.97 2.98 0.78 0.60 1.43 -1.26 -4.77 118.68 111.46 2dat s LEU 96 Ca 0.68 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 2dat s LEU 96 Cb -0.24 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 42.90 2dat s LEU 96 CO 0.62 -1.42 1.08 -1.61 0.23 0.00 0.00 176.35 175.25 2dat s GLU 97 N -5.11 2.26 -0.01 1.70 2.02 -1.26 -3.46 118.70 114.85 2dat s GLU 97 Ca 0.58 0.84 -0.00 0.00 0.02 0.00 0.00 54.97 56.41 2dat s GLU 97 Cb -0.11 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2dat s GLU 97 CO 0.43 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.58 2dat n GLY 98 N -1.81 -0.39 3.99 -1.39 0.00 -1.26 -4.85 105.19 99.48 2dat n GLY 98 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2dat n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 99 N -1.58 4.27 0.09 1.61 0.15 -1.22 -4.87 113.70 112.14 2dat s SER 99 Ca 0.00 -0.33 -0.28 0.00 0.70 0.00 0.00 55.95 56.04 2dat s SER 99 Cb -0.00 -0.02 -0.14 0.00 -1.71 0.00 0.00 66.02 64.15 2dat s SER 99 CO 0.00 -1.92 1.66 -0.61 1.20 0.00 0.00 173.24 173.57 2dat h GLN 100 N -0.60 -0.48 -0.24 5.44 5.75 -1.89 -2.50 115.11 120.60 2dat h GLN 100 Ca -0.37 0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.01 2dat h GLN 100 Cb 1.27 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.93 2dat h GLN 100 CO 0.40 -0.32 -0.45 0.82 -2.65 0.00 0.00 178.83 176.63 2dat h ILE 101 N -0.50 1.30 -0.20 2.39 2.04 -1.95 -3.31 117.51 117.28 2dat h ILE 101 Ca -0.02 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.21 2dat h ILE 101 Cb 0.44 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2dat h ILE 101 CO -0.01 0.53 -0.21 0.22 0.00 0.00 0.00 178.15 178.68 2dat h TYR 102 N 0.45 -0.64 -0.98 1.37 3.20 -1.74 0.42 116.97 119.05 2dat h TYR 102 Ca 0.01 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.22 2dat h TYR 102 Cb 1.05 0.31 -0.18 0.00 1.54 0.00 0.00 36.73 39.45 2dat h TYR 102 CO 0.08 -0.17 0.15 0.93 -1.64 0.00 0.00 178.16 177.51 2dat h GLU 103 N -0.11 0.02 0.30 1.82 5.08 -1.56 0.22 114.58 120.35 2dat h GLU 103 Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dat h GLU 103 Cb 0.20 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2dat h GLU 103 CO -0.25 0.01 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.02 2dat h ASP 104 N 0.02 -0.85 -1.19 1.42 5.19 -1.04 -1.39 116.42 118.58 2dat h ASP 104 Ca 0.65 0.08 0.36 0.00 -0.62 0.00 0.00 57.03 57.49 2dat h ASP 104 Cb 1.44 0.29 -0.11 0.00 0.18 0.00 0.00 39.33 41.13 2dat h ASP 104 CO -0.87 -0.44 0.77 0.77 -3.12 0.00 0.00 179.24 176.34 2dat h SER 105 N -0.65 0.33 0.04 6.45 4.64 0.39 0.70 113.55 125.45 2dat h SER 105 Ca -0.01 0.11 -0.23 0.00 -0.47 0.00 0.00 61.79 61.19 2dat h SER 105 Cb 0.60 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2dat h SER 105 CO -0.07 -0.06 -0.86 0.40 -0.87 0.00 0.00 176.83 175.37 2dat h ILE 106 N 0.22 1.32 0.58 0.95 5.03 -1.00 -3.24 117.51 121.37 2dat h ILE 106 Ca 0.71 -2.14 -0.03 0.00 -0.12 0.00 0.00 64.86 63.28 2dat h ILE 106 Cb 2.09 2.16 0.01 0.00 -3.03 0.00 0.00 36.82 38.05 2dat h ILE 106 CO -0.36 0.66 -0.28 0.58 -0.68 0.00 0.00 178.15 178.07 2dat h VAL 107 N 0.41 0.00 -0.95 1.67 2.07 0.14 -2.95 116.25 116.64 2dat h VAL 107 Ca -0.07 -0.20 0.37 0.00 0.82 0.00 0.00 66.70 67.62 2dat h VAL 107 Cb 1.48 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.08 2dat h VAL 107 CO 0.16 0.00 0.40 0.18 0.02 0.00 0.00 177.57 178.34 2dat n LEU 108 N -4.66 0.23 0.09 2.57 4.77 -0.22 0.79 117.00 120.58 2dat n LEU 108 Ca -0.10 1.59 -0.13 0.00 -0.03 0.00 0.00 56.01 57.35 2dat n LEU 108 Cb 0.31 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2dat n LEU 108 CO 0.23 -1.74 0.83 1.56 -1.33 0.00 0.00 177.39 176.94 2dat h GLN 109 N 0.00 -0.13 -0.27 3.23 4.20 -1.56 -0.75 115.11 119.83 2dat h GLN 109 Ca 0.76 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.56 2dat h GLN 109 Cb 1.93 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.73 2dat h GLN 109 CO -0.77 -0.07 0.23 1.03 -0.67 0.00 0.00 178.83 178.58 2dat h SER 110 N -0.16 0.00 0.15 1.46 0.87 0.56 -1.25 113.55 115.18 2dat h SER 110 Ca -0.01 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.28 2dat h SER 110 Cb 0.12 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2dat h SER 110 CO 0.02 0.00 -1.14 0.58 -0.53 0.00 0.00 176.83 175.76 2dat h VAL 111 N 0.00 1.35 0.11 2.23 2.07 -0.63 -3.25 116.25 118.12 2dat h VAL 111 Ca 0.13 -2.49 0.02 0.00 0.82 0.00 0.00 66.70 65.18 2dat h VAL 111 Cb 0.59 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 33.21 2dat h VAL 111 CO -0.00 0.74 -0.23 0.15 0.02 0.00 0.00 177.57 178.25 2dat h PHE 112 N 0.07 -0.62 -0.26 1.57 3.57 0.04 0.23 116.94 121.54 2dat h PHE 112 Ca -0.18 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.39 2dat h PHE 112 Cb 1.86 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 40.78 2dat h PHE 112 CO 0.14 -0.33 -0.39 0.87 -2.23 0.00 0.00 178.31 176.37 2dat h LYS 113 N -0.42 -0.37 -0.82 1.11 1.57 -1.59 -0.57 116.57 115.47 2dat h LYS 113 Ca 0.03 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2dat h LYS 113 Cb 0.45 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2dat h LYS 113 CO -0.14 -0.25 0.51 0.77 -0.57 0.00 0.00 179.45 179.78 2dat h SER 114 N -0.38 0.98 -0.96 0.86 0.02 -1.54 -2.09 113.55 110.43 2dat h SER 114 Ca 0.12 -0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.18 2dat h SER 114 Cb 0.59 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 2dat h SER 114 CO -0.47 0.74 0.61 0.00 -1.14 0.00 0.00 176.83 176.56 2dat h ALA 115 N 1.43 1.75 0.14 3.77 0.00 0.10 -1.05 119.26 125.40 2dat h ALA 115 Ca 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2dat h ALA 115 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2dat h ALA 115 CO -0.06 -0.04 -0.07 -0.09 0.00 0.00 0.00 179.25 179.00 2dat h ARG 116 N 0.76 -0.18 -0.34 0.00 2.43 -0.69 -3.38 114.38 112.97 2dat h ARG 116 Ca 0.51 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.72 2dat h ARG 116 Cb 0.77 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 2dat h ARG 116 CO -0.27 -0.12 -0.24 1.96 -1.51 0.00 0.00 179.97 179.78 2dat h GLN 117 N -0.58 -0.05 -5.90 0.20 1.08 -1.34 -3.39 115.11 105.12 2dat h GLN 117 Ca -0.02 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.51 2dat h GLN 117 Cb 0.15 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.44 2dat h GLN 117 CO 0.03 -0.03 -0.61 -1.54 -0.95 0.00 0.00 178.83 175.73 2dat s SER 118 N -3.93 5.32 0.48 1.46 1.04 -0.41 -5.11 113.70 112.54 2dat s SER 118 Ca -0.05 0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.59 2dat s SER 118 Cb 0.04 -1.55 -0.01 0.00 0.10 0.00 0.00 66.02 64.61 2dat s SER 118 CO 0.26 0.37 0.22 -0.83 0.98 0.00 0.00 173.24 174.24 2dat s GLY 119 N -0.80 2.50 0.48 7.32 0.00 -1.26 -4.22 107.32 111.35 2dat s GLY 119 Ca 0.12 -1.41 0.27 0.00 0.00 0.00 0.00 44.72 43.70 2dat s GLY 119 CO 0.02 -1.98 1.91 -0.56 0.00 0.00 0.00 173.10 172.49 2dat h PRO 120 N 1.16 0.00 -6.25 2.90 0.13 -1.90 -3.44 132.00 124.60 2dat h PRO 120 Ca -0.41 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.26 2dat h PRO 120 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2dat h PRO 120 CO 0.66 0.16 -0.39 -1.12 -0.23 0.00 0.00 178.00 177.08 2dat s SER 121 N -6.06 6.28 -0.40 1.44 0.01 -1.26 -5.05 113.70 108.66 2dat s SER 121 Ca -0.00 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 2dat s SER 121 Cb 0.11 -1.83 0.02 0.00 0.21 0.00 0.00 66.02 64.52 2dat s SER 121 CO 0.60 -0.14 1.26 -0.55 0.41 0.00 0.00 173.24 174.82 2dat s SER 122 N -4.01 6.57 0.00 2.44 0.15 -1.26 -5.13 113.70 112.47 2dat s SER 122 Ca 0.36 0.81 0.32 0.00 0.70 0.00 0.00 55.95 58.14 2dat s SER 122 Cb -0.09 -2.54 1.90 0.00 -1.71 0.00 0.00 66.02 63.57 2dat s SER 122 CO 0.30 -1.24 2.22 0.61 1.20 0.00 0.00 173.24 176.33