#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dat n SER 2 N 0.00 -0.86 0.19 6.43 7.64 -1.26 -4.88 113.62 120.88 1dat n SER 2 Ca 0.00 1.13 0.14 0.00 1.01 0.00 0.00 58.87 61.15 1dat n SER 2 Cb 0.00 -0.93 0.59 0.00 -1.01 0.00 0.00 64.21 62.86 1dat n SER 2 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1dat h GLN 3 N 1.61 0.00 0.00 1.43 3.07 -2.01 -3.29 115.11 115.92 1dat h GLN 3 Ca -0.35 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.02 1dat h GLN 3 Cb 1.42 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.92 1dat h GLN 3 CO 0.59 0.00 -2.38 -0.89 0.09 0.00 0.00 178.83 176.23 1dat n ILE 4 N -2.59 1.45 -1.88 1.86 -0.00 -1.26 -5.01 119.36 111.94 1dat n ILE 4 Ca 0.01 -0.73 -0.42 0.00 -0.00 0.00 0.00 62.75 61.61 1dat n ILE 4 Cb 0.25 -0.93 -0.03 0.00 -0.00 0.00 0.00 39.64 38.93 1dat n ILE 4 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1dat s ARG 5 N -2.51 4.19 -0.28 0.38 3.52 -1.24 -4.86 118.95 118.14 1dat s ARG 5 Ca -0.21 2.43 -0.10 0.00 -0.13 0.00 0.00 55.73 57.73 1dat s ARG 5 Cb 0.07 -3.13 0.12 0.00 -1.56 0.00 0.00 34.95 30.46 1dat s ARG 5 CO 0.73 -0.64 0.61 -1.14 -0.81 0.00 0.00 175.30 174.05 1dat s GLN 6 N 1.06 0.54 -1.28 5.12 0.74 -1.26 -4.93 119.66 119.64 1dat s GLN 6 Ca 0.71 1.37 -0.01 0.00 0.05 0.00 0.00 55.36 57.48 1dat s GLN 6 Cb -0.45 0.75 0.00 0.00 1.10 0.00 0.00 33.01 34.41 1dat s GLN 6 CO 0.32 -0.21 0.15 -1.71 -0.55 0.00 0.00 175.29 173.29 1dat n ASN 7 N 5.40 -4.79 -3.92 6.67 4.05 -1.26 -4.98 115.26 116.43 1dat n ASN 7 Ca -0.12 -0.08 -0.30 0.00 0.45 0.00 0.00 54.58 54.53 1dat n ASN 7 Cb 0.49 -3.83 -0.14 0.00 1.23 0.00 0.00 39.78 37.53 1dat n ASN 7 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1dat s TYR 8 N -2.86 3.06 0.69 1.20 5.04 -1.26 -4.78 117.35 118.44 1dat s TYR 8 Ca 0.07 -2.83 -0.14 0.00 -2.44 0.00 0.00 57.07 51.73 1dat s TYR 8 Cb -0.03 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.69 1dat s TYR 8 CO 0.09 -0.84 1.11 -1.54 -1.34 0.00 0.00 175.55 173.02 1dat s SER 9 N 0.49 4.95 0.33 4.32 1.04 -1.26 -4.92 113.70 118.65 1dat s SER 9 Ca 0.14 1.96 0.09 0.00 0.48 0.00 0.00 55.95 58.62 1dat s SER 9 Cb -0.22 -2.54 0.57 0.00 0.10 0.00 0.00 66.02 63.93 1dat s SER 9 CO -0.06 -1.73 1.76 0.71 0.98 0.00 0.00 173.24 174.90 1dat h THR 10 N -0.24 1.29 -0.03 2.02 1.35 -1.99 -1.69 112.91 113.62 1dat h THR 10 Ca -0.46 -1.39 -0.19 0.00 -0.55 0.00 0.00 66.41 63.82 1dat h THR 10 Cb 1.24 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1dat h THR 10 CO 0.53 0.41 -0.81 1.05 -0.25 0.00 0.00 175.52 176.45 1dat h GLU 11 N 0.13 0.29 -0.34 4.72 9.09 -1.99 -0.26 114.58 126.22 1dat h GLU 11 Ca 0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 59.36 59.12 1dat h GLU 11 Cb 0.73 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.88 1dat h GLU 11 CO 0.05 0.96 0.09 0.28 0.05 0.00 0.00 179.01 180.44 1dat h VAL 12 N 0.18 1.22 -0.62 -1.06 2.07 -1.91 -1.69 116.25 114.43 1dat h VAL 12 Ca -0.04 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1dat h VAL 12 Cb 1.41 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 1dat h VAL 12 CO 0.13 0.24 0.28 -0.08 0.02 0.00 0.00 177.57 178.16 1dat h GLU 13 N 0.39 0.48 -0.61 1.57 4.81 -1.14 -0.07 114.58 120.01 1dat h GLU 13 Ca 0.11 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1dat h GLU 13 Cb 0.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1dat h GLU 13 CO -0.00 0.32 0.11 0.00 -0.73 0.00 0.00 179.01 178.71 1dat h ALA 14 N 1.39 0.81 -0.47 2.92 0.00 -1.00 -2.42 119.26 120.50 1dat h ALA 14 Ca 0.30 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1dat h ALA 14 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1dat h ALA 14 CO -0.26 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 1dat h ALA 15 N 1.03 1.02 -0.64 0.00 0.00 -0.37 -1.75 119.26 118.55 1dat h ALA 15 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dat h ALA 15 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1dat h ALA 15 CO 0.01 0.60 0.42 0.28 0.00 0.00 0.00 179.25 180.56 1dat h VAL 16 N 0.74 1.17 -0.37 0.00 2.07 -0.95 0.27 116.25 119.18 1dat h VAL 16 Ca 0.13 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1dat h VAL 16 Cb 0.53 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1dat h VAL 16 CO 0.03 0.16 0.05 0.78 0.02 0.00 0.00 177.57 178.61 1dat h ASN 17 N 0.87 0.52 -0.07 0.57 -0.26 -1.23 -0.03 115.58 115.94 1dat h ASN 17 Ca 0.23 -0.08 -0.18 0.00 -0.56 0.00 0.00 56.30 55.71 1dat h ASN 17 Cb -0.09 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.03 1dat h ASN 17 CO -0.05 0.55 -0.60 -0.09 -1.06 0.00 0.00 177.43 176.18 1dat h ARG 18 N 0.54 0.68 -0.37 0.81 9.65 -0.39 -2.95 114.38 122.35 1dat h ARG 18 Ca 0.12 -0.46 -0.10 0.00 -1.10 0.00 0.00 59.98 58.45 1dat h ARG 18 Cb 0.27 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1dat h ARG 18 CO 0.00 1.08 -0.17 1.25 2.80 0.00 0.00 179.97 184.94 1dat h LEU 19 N 0.51 0.68 -0.40 3.80 5.85 0.58 -2.14 115.31 124.19 1dat h LEU 19 Ca -0.00 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1dat h LEU 19 Cb 1.18 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1dat h LEU 19 CO 0.12 0.86 0.02 0.58 -0.34 0.00 0.00 178.44 179.68 1dat h VAL 20 N 0.61 0.72 -0.86 1.05 2.07 -1.00 -0.10 116.25 118.74 1dat h VAL 20 Ca 0.10 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1dat h VAL 20 Cb 0.63 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1dat h VAL 20 CO 0.04 0.02 0.45 -1.13 0.02 0.00 0.00 177.57 176.98 1dat h ASN 21 N 0.13 1.09 -0.45 0.57 -1.24 -1.26 0.21 115.58 114.63 1dat h ASN 21 Ca 0.20 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1dat h ASN 21 Cb 0.27 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1dat h ASN 21 CO -0.31 0.90 0.25 -0.07 -1.29 0.00 0.00 177.43 176.91 1dat h LEU 22 N 1.21 0.57 -0.43 0.34 3.38 -0.77 0.15 115.31 119.75 1dat h LEU 22 Ca 0.30 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1dat h LEU 22 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1dat h LEU 22 CO -0.04 0.49 0.16 1.88 0.09 0.00 0.00 178.44 181.02 1dat h TYR 23 N 0.60 0.68 -0.47 1.13 -1.99 -0.44 -0.06 116.97 116.41 1dat h TYR 23 Ca 0.16 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 1dat h TYR 23 Cb 0.05 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1dat h TYR 23 CO -0.02 0.60 0.01 -0.07 -0.00 0.00 0.00 178.16 178.68 1dat h LEU 24 N 0.56 0.74 -0.78 3.88 4.07 -0.33 -0.83 115.31 122.62 1dat h LEU 24 Ca 0.14 -0.17 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 1dat h LEU 24 Cb 0.22 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1dat h LEU 24 CO -0.01 0.80 -0.49 -0.09 -1.08 0.00 0.00 178.44 177.57 1dat h ARG 25 N 0.73 0.30 -0.34 1.13 2.43 -0.53 -1.61 114.38 116.48 1dat h ARG 25 Ca 0.15 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1dat h ARG 25 Cb 0.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1dat h ARG 25 CO 0.02 0.72 0.11 0.00 -1.51 0.00 0.00 179.97 179.31 1dat h ALA 26 N 1.25 0.44 -0.51 2.80 0.00 -0.43 0.16 119.26 122.97 1dat h ALA 26 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1dat h ALA 26 Cb 0.95 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1dat h ALA 26 CO 0.08 0.07 0.27 1.03 0.00 0.00 0.00 179.25 180.70 1dat h SER 27 N 0.39 0.39 -0.75 0.00 0.87 -1.02 -0.54 113.55 112.89 1dat h SER 27 Ca 0.11 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 1dat h SER 27 Cb 0.24 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1dat h SER 27 CO -0.00 0.27 0.29 0.22 -0.53 0.00 0.00 176.83 177.07 1dat h TYR 28 N 0.52 1.16 -0.19 2.24 3.20 -1.09 0.45 116.97 123.26 1dat h TYR 28 Ca 0.22 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1dat h TYR 28 Cb 0.12 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1dat h TYR 28 CO -0.10 0.89 0.12 1.15 -1.64 0.00 0.00 178.16 178.58 1dat h THR 29 N 1.09 1.07 -0.31 1.81 2.02 -0.52 -2.39 112.91 115.68 1dat h THR 29 Ca 0.25 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1dat h THR 29 Cb 0.24 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1dat h THR 29 CO -0.02 0.07 0.03 1.88 0.37 0.00 0.00 175.52 177.85 1dat h TYR 30 N 0.23 0.47 -0.38 3.16 0.05 -0.75 -1.23 116.97 118.52 1dat h TYR 30 Ca 0.07 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1dat h TYR 30 Cb 0.01 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 1dat h TYR 30 CO -0.05 0.46 0.18 1.25 -1.05 0.00 0.00 178.16 178.94 1dat h LEU 31 N 0.45 0.26 0.13 3.88 5.85 -0.71 -0.58 115.31 124.59 1dat h LEU 31 Ca 0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dat h LEU 31 Cb 0.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1dat h LEU 31 CO 0.00 0.19 -0.06 -1.28 -0.34 0.00 0.00 178.44 176.96 1dat h SER 32 N 0.38 -0.14 -0.59 1.25 0.87 -0.86 -1.91 113.55 112.55 1dat h SER 32 Ca 0.16 -0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1dat h SER 32 Cb 0.08 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 1dat h SER 32 CO -0.12 -0.01 0.24 -0.07 -0.53 0.00 0.00 176.83 176.33 1dat h LEU 33 N -0.27 0.26 0.13 2.23 3.38 -1.11 -1.53 115.31 118.41 1dat h LEU 33 Ca -0.02 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1dat h LEU 33 Cb 0.22 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1dat h LEU 33 CO 0.03 0.16 -0.15 1.23 0.09 0.00 0.00 178.44 179.80 1dat h GLY 34 N 0.43 -0.30 2.00 0.83 0.00 -0.99 -2.28 103.07 102.76 1dat h GLY 34 Ca 0.29 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 1dat h GLY 34 CO -0.27 -0.15 -0.21 0.74 0.00 0.00 0.00 176.54 176.65 1dat h PHE 35 N -0.32 0.00 -0.43 5.60 0.04 -1.27 -2.58 116.94 117.97 1dat h PHE 35 Ca 0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1dat h PHE 35 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1dat h PHE 35 CO -0.14 0.21 0.09 -0.92 -0.60 0.00 0.00 178.31 176.95 1dat h TYR 36 N 0.00 0.75 0.00 -0.55 3.20 -0.72 -2.70 116.97 116.95 1dat h TYR 36 Ca -0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1dat h TYR 36 Cb 0.58 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1dat h TYR 36 CO 0.00 0.71 0.00 1.19 -1.64 0.00 0.00 178.16 178.42 1dat n PHE 37 N -4.50 0.00 1.24 -3.82 3.72 -0.98 -2.04 117.46 111.08 1dat n PHE 37 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1dat n PHE 37 Cb 0.23 -0.34 0.40 0.00 -0.94 0.00 0.00 39.48 38.83 1dat n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1dat n ASP 38 N -1.34 0.91 -4.77 4.37 2.03 -1.02 -1.69 116.55 115.04 1dat n ASP 38 Ca 0.08 -0.79 -0.41 0.00 0.52 0.00 0.00 54.79 54.19 1dat n ASP 38 Cb 0.16 0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.66 1dat n ASP 38 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1dat s ARG 39 N -2.54 4.20 0.52 -0.67 0.52 -0.86 -4.71 118.95 115.40 1dat s ARG 39 Ca 0.24 2.44 0.20 0.00 -0.52 0.00 0.00 55.73 58.09 1dat s ARG 39 Cb 0.19 -3.02 1.31 0.00 0.52 0.00 0.00 34.95 33.95 1dat s ARG 39 CO 0.53 -0.44 2.08 0.38 0.02 0.00 0.00 175.30 177.86 1dat h ASP 40 N 3.67 0.02 -0.36 0.23 2.03 -1.91 0.65 116.42 120.75 1dat h ASP 40 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1dat h ASP 40 Cb 1.23 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1dat h ASP 40 CO 0.69 0.01 0.00 -0.90 -1.03 0.00 0.00 179.24 178.01 1dat n ASP 41 N -4.47 2.14 0.02 4.15 5.75 -1.26 -4.25 116.55 118.63 1dat n ASP 41 Ca 0.03 -1.94 -0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1dat n ASP 41 Cb 0.33 -0.24 -0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1dat n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1dat n VAL 42 N 0.66 0.42 -3.90 2.12 0.31 0.90 -5.08 118.33 113.76 1dat n VAL 42 Ca 0.14 0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 64.27 1dat n VAL 42 Cb 0.35 -1.53 0.01 0.00 -0.91 0.00 0.00 33.84 31.76 1dat n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dat n ALA 43 N -3.17 -2.40 -3.83 3.52 0.00 0.19 -4.98 120.51 109.84 1dat n ALA 43 Ca -0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 1dat n ALA 43 Cb 0.34 -2.86 -0.14 0.00 0.00 0.00 0.00 19.45 16.79 1dat n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dat s LEU 44 N -6.92 3.34 0.14 0.00 1.43 -0.68 -4.98 118.68 111.02 1dat s LEU 44 Ca 0.33 -2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 50.88 1dat s LEU 44 Cb -0.14 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1dat s LEU 44 CO 0.91 -0.31 1.66 -0.08 0.23 0.00 0.00 176.35 178.76 1dat h GLU 45 N 7.15 0.69 -0.72 1.70 4.81 -1.94 -1.13 114.58 125.13 1dat h GLU 45 Ca -0.06 -0.15 0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1dat h GLU 45 Cb 0.96 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1dat h GLU 45 CO 0.53 0.67 0.48 0.78 -0.73 0.00 0.00 179.01 180.73 1dat h GLY 46 N 0.58 0.89 0.87 1.92 0.00 -1.86 0.13 103.07 105.60 1dat h GLY 46 Ca 0.14 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 1dat h GLY 46 CO -0.00 0.16 -0.88 -2.08 0.00 0.00 0.00 176.54 173.74 1dat h VAL 47 N 0.64 1.42 -0.51 4.60 2.07 -1.79 -1.10 116.25 121.58 1dat h VAL 47 Ca 0.33 -2.39 0.09 0.00 0.82 0.00 0.00 66.70 65.55 1dat h VAL 47 Cb 0.43 2.90 -0.08 0.00 -1.52 0.00 0.00 31.29 33.03 1dat h VAL 47 CO -0.11 0.69 0.07 0.00 0.02 0.00 0.00 177.57 178.24 1dat h HIS 49 N 0.19 0.62 -0.32 0.00 6.17 -0.67 -0.59 115.15 120.56 1dat h HIS 49 Ca 0.26 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.37 1dat h HIS 49 Cb 0.37 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 1dat h HIS 49 CO -0.26 0.43 0.14 0.35 0.71 0.00 0.00 177.93 179.30 1dat h PHE 50 N 0.64 0.25 -0.07 5.26 3.57 -0.68 -1.95 116.94 123.97 1dat h PHE 50 Ca 0.17 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.50 1dat h PHE 50 Cb -0.02 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1dat h PHE 50 CO -0.03 0.13 -0.76 0.74 -2.23 0.00 0.00 178.31 176.16 1dat h PHE 51 N 0.30 0.55 -0.31 0.41 0.04 -1.06 -2.67 116.94 114.19 1dat h PHE 51 Ca 0.14 -0.25 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 1dat h PHE 51 Cb 0.07 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1dat h PHE 51 CO -0.11 1.01 -0.17 0.00 -0.60 0.00 0.00 178.31 178.44 1dat h ARG 52 N 0.27 0.57 -0.39 1.51 3.08 -1.01 -0.10 114.38 118.30 1dat h ARG 52 Ca -0.04 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 1dat h ARG 52 Cb 1.34 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1dat h ARG 52 CO 0.13 0.71 -0.15 1.49 -1.07 0.00 0.00 179.97 181.08 1dat h GLU 53 N 0.51 0.72 -0.30 0.04 4.81 -1.31 -2.93 114.58 116.12 1dat h GLU 53 Ca 0.09 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1dat h GLU 53 Cb 0.58 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1dat h GLU 53 CO 0.04 0.84 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.88 1dat h LEU 54 N 0.65 0.56 -0.87 1.64 3.38 -1.05 -1.86 115.31 117.76 1dat h LEU 54 Ca 0.10 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1dat h LEU 54 Cb 0.62 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1dat h LEU 54 CO 0.04 0.77 0.52 0.00 0.09 0.00 0.00 178.44 179.86 1dat h ALA 55 N 1.28 1.24 -0.21 1.53 0.00 -0.88 -0.40 119.26 121.82 1dat h ALA 55 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dat h ALA 55 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1dat h ALA 55 CO 0.04 0.17 -0.02 1.49 0.00 0.00 0.00 179.25 180.93 1dat h GLU 56 N 0.88 0.38 -0.28 0.00 4.81 -1.26 -1.60 114.58 117.51 1dat h GLU 56 Ca 0.41 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1dat h GLU 56 Cb 0.34 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1dat h GLU 56 CO -0.23 0.61 0.09 1.49 -0.73 0.00 0.00 179.01 180.24 1dat h GLU 57 N 0.13 0.21 -0.76 1.92 4.57 -0.96 0.16 114.58 119.84 1dat h GLU 57 Ca 0.06 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1dat h GLU 57 Cb 0.45 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1dat h GLU 57 CO 0.02 0.14 0.25 0.87 -1.18 0.00 0.00 179.01 179.11 1dat h LYS 58 N 0.22 1.17 -0.48 1.92 1.79 -0.98 -1.44 116.57 118.77 1dat h LYS 58 Ca 0.13 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1dat h LYS 58 Cb 0.10 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1dat h LYS 58 CO -0.13 0.98 0.31 -0.09 -1.08 0.00 0.00 179.45 179.44 1dat h ARG 59 N 1.13 0.64 -0.76 3.15 2.43 -0.84 -2.11 114.38 118.02 1dat h ARG 59 Ca 0.25 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1dat h ARG 59 Cb 0.29 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1dat h ARG 59 CO -0.01 0.45 0.48 0.93 -1.51 0.00 0.00 179.97 180.31 1dat h GLU 60 N 0.65 0.90 -0.85 0.20 5.08 -0.44 -2.21 114.58 117.91 1dat h GLU 60 Ca 0.18 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1dat h GLU 60 Cb -0.04 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 1dat h GLU 60 CO -0.04 0.60 0.56 0.78 -1.00 0.00 0.00 179.01 179.91 1dat h GLY 61 N 0.93 1.21 0.99 -3.84 0.00 -0.81 -1.74 103.07 99.81 1dat h GLY 61 Ca 0.31 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1dat h GLY 61 CO -0.11 0.45 0.31 0.00 0.00 0.00 0.00 176.54 177.18 1dat h ALA 62 N 1.31 0.63 -0.48 3.60 0.00 -0.90 -1.27 119.26 122.15 1dat h ALA 62 Ca 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1dat h ALA 62 Cb -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1dat h ALA 62 CO -0.07 0.11 0.12 0.93 0.00 0.00 0.00 179.25 180.34 1dat h GLU 63 N 0.67 0.73 -0.45 0.00 5.08 -1.10 0.25 114.58 119.75 1dat h GLU 63 Ca 0.18 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1dat h GLU 63 Cb -0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1dat h GLU 63 CO -0.04 0.66 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.35 1dat h ARG 64 N 0.71 0.90 -0.55 2.33 2.43 -1.00 0.58 114.38 119.78 1dat h ARG 64 Ca 0.16 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1dat h ARG 64 Cb 0.26 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1dat h ARG 64 CO -0.00 1.01 0.19 -0.07 -1.51 0.00 0.00 179.97 179.58 1dat h LEU 65 N 0.78 0.78 -0.69 3.80 3.38 -0.48 -2.11 115.31 120.78 1dat h LEU 65 Ca 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1dat h LEU 65 Cb 0.73 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1dat h LEU 65 CO 0.06 0.77 0.28 -0.07 0.09 0.00 0.00 178.44 179.56 1dat h LEU 66 N 0.76 0.95 -0.65 1.67 3.38 -0.76 -0.19 115.31 120.47 1dat h LEU 66 Ca 0.18 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1dat h LEU 66 Cb 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1dat h LEU 66 CO -0.01 0.86 0.42 0.50 0.09 0.00 0.00 178.44 180.30 1dat h LYS 67 N 0.98 0.81 -0.36 1.13 1.63 -0.62 -2.37 116.57 117.77 1dat h LYS 67 Ca 0.23 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1dat h LYS 67 Cb 0.21 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1dat h LYS 67 CO -0.02 0.53 0.08 1.98 -3.45 0.00 0.00 179.45 178.57 1dat h MET 68 N 0.83 0.58 -0.59 1.90 4.05 -1.04 -0.93 114.93 119.73 1dat h MET 68 Ca 0.25 -0.14 0.12 0.00 -0.28 0.00 0.00 59.70 59.65 1dat h MET 68 Cb -0.04 -0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 30.59 1dat h MET 68 CO -0.08 0.63 0.03 0.37 0.23 0.00 0.00 176.91 178.09 1dat h GLN 69 N 0.43 0.14 -0.53 0.39 5.75 -0.63 -0.72 115.11 119.94 1dat h GLN 69 Ca 0.11 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.49 1dat h GLN 69 Cb 0.32 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1dat h GLN 69 CO 0.00 0.09 -0.10 -0.91 -2.65 0.00 0.00 178.83 175.27 1dat h ASN 70 N 0.15 0.98 -0.16 -0.69 2.35 -1.17 -0.06 115.58 116.98 1dat h ASN 70 Ca 0.31 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1dat h ASN 70 Cb 0.49 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1dat h ASN 70 CO -0.48 1.09 0.11 1.56 -1.65 0.00 0.00 177.43 178.05 1dat h GLN 71 N 0.88 0.18 -0.01 0.81 4.20 0.07 -2.41 115.11 118.83 1dat h GLN 71 Ca 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1dat h GLN 71 Cb 0.65 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1dat h GLN 71 CO 0.04 0.12 -0.27 0.54 -0.67 0.00 0.00 178.83 178.59 1dat n ARG 72 N -4.51 0.63 -0.48 1.46 5.12 -0.40 -4.96 116.66 113.52 1dat n ARG 72 Ca -0.00 -0.34 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 1dat n ARG 72 Cb 0.10 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1dat n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dat n GLY 73 N 1.37 0.76 3.92 -0.13 0.00 -0.91 -4.22 105.19 105.98 1dat n GLY 73 Ca 0.11 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1dat n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dat s GLY 74 N -2.01 1.65 -0.22 -0.02 0.00 -0.07 -4.70 107.32 101.95 1dat s GLY 74 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1dat s GLY 74 CO 0.00 -0.47 -0.13 0.50 0.00 0.00 0.00 173.10 173.00 1dat s ARG 75 N -5.12 2.79 0.24 2.90 1.81 -1.26 -4.20 118.95 116.10 1dat s ARG 75 Ca 0.57 -0.98 -0.30 0.00 -1.72 0.00 0.00 55.73 53.29 1dat s ARG 75 Cb -0.11 -2.80 -0.10 0.00 -0.45 0.00 0.00 34.95 31.49 1dat s ARG 75 CO 0.45 -0.35 1.50 0.00 -0.68 0.00 0.00 175.30 176.22 1dat s ALA 76 N 1.27 3.69 -0.03 2.13 0.00 -1.26 -5.00 121.76 122.56 1dat s ALA 76 Ca 0.00 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1dat s ALA 76 Cb -0.16 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 1dat s ALA 76 CO -0.08 -0.80 -0.12 -0.51 0.00 0.00 0.00 175.76 174.26 1dat s LEU 77 N -0.01 1.86 0.12 0.00 1.43 -1.26 -5.15 118.68 115.67 1dat s LEU 77 Ca 0.63 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1dat s LEU 77 Cb -0.43 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1dat s LEU 77 CO 0.41 0.10 -0.10 -0.36 0.23 0.00 0.00 176.35 176.63 1dat s PHE 78 N 0.07 2.72 0.28 0.29 0.08 -1.26 -4.88 117.98 115.28 1dat s PHE 78 Ca -0.02 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.88 1dat s PHE 78 Cb -0.09 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1dat s PHE 78 CO 0.01 0.44 0.10 -1.14 -0.10 0.00 0.00 175.22 174.52 1dat s GLN 79 N -2.32 1.48 0.58 0.44 2.00 -1.26 -5.13 119.66 115.45 1dat s GLN 79 Ca 0.22 -1.81 -0.21 0.00 -2.00 0.00 0.00 55.36 51.56 1dat s GLN 79 Cb -0.11 -0.36 -0.04 0.00 0.80 0.00 0.00 33.01 33.31 1dat s GLN 79 CO 0.14 -0.29 1.34 -0.51 -0.50 0.00 0.00 175.29 175.46 1dat s ASP 80 N -3.35 5.08 -0.32 6.67 1.01 -1.26 -4.97 116.67 119.52 1dat s ASP 80 Ca 0.37 2.72 -0.09 0.00 0.71 0.00 0.00 52.55 56.26 1dat s ASP 80 Cb 0.08 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1dat s ASP 80 CO 0.14 -1.70 0.15 -0.76 0.21 0.00 0.00 175.17 173.22 1dat s LEU 81 N -3.77 4.17 0.27 1.23 1.43 -1.26 -5.06 118.68 115.69 1dat s LEU 81 Ca 0.75 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1dat s LEU 81 Cb -0.39 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 1dat s LEU 81 CO 0.45 -0.23 1.34 -1.10 0.23 0.00 0.00 176.35 177.05 1dat s GLN 82 N 1.58 4.34 0.84 1.70 -1.52 -1.26 -5.00 119.66 120.35 1dat s GLN 82 Ca 0.04 2.19 -0.13 0.00 -1.95 0.00 0.00 55.36 55.51 1dat s GLN 82 Cb -0.17 -3.12 0.09 0.00 -0.22 0.00 0.00 33.01 29.59 1dat s GLN 82 CO 0.06 -0.26 1.08 0.36 -0.25 0.00 0.00 175.29 176.28 1dat n LYS 83 N 1.72 -0.01 -1.62 2.91 2.85 -1.26 -4.94 118.16 117.81 1dat n LYS 83 Ca 0.03 0.07 -0.36 0.00 -1.05 0.00 0.00 58.31 57.01 1dat n LYS 83 Cb 0.42 -2.34 0.08 0.00 -0.65 0.00 0.00 35.03 32.54 1dat n LYS 83 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1dat s PRO 84 N -4.12 2.37 0.51 -1.58 0.02 -1.26 -4.90 135.00 126.03 1dat s PRO 84 Ca 0.70 2.00 0.27 0.00 0.02 0.00 0.00 61.00 63.99 1dat s PRO 84 Cb -0.27 -1.83 1.34 0.00 0.02 0.00 0.00 34.50 33.75 1dat s PRO 84 CO 0.54 -1.72 2.01 0.66 -0.33 0.00 0.00 177.00 178.16 1dat h SER 85 N 0.25 0.00 -4.24 2.53 4.64 -1.99 -3.43 113.55 111.31 1dat h SER 85 Ca -0.50 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 1dat h SER 85 Cb 1.33 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.17 1dat h SER 85 CO 0.52 0.14 -0.84 -1.10 -0.87 0.00 0.00 176.83 174.68 1dat s GLN 86 N -4.02 1.31 -0.01 4.77 -0.21 -1.26 -5.02 119.66 115.23 1dat s GLN 86 Ca -0.02 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 54.36 1dat s GLN 86 Cb 0.12 -1.49 -0.26 0.00 1.00 0.00 0.00 33.01 32.39 1dat s GLN 86 CO 0.59 0.37 0.80 -0.44 -2.12 0.00 0.00 175.29 174.49 1dat h ASP 87 N 4.59 0.25 -4.29 5.90 3.32 -2.02 -3.48 116.42 120.70 1dat h ASP 87 Ca -0.44 -0.39 -0.53 0.00 0.02 0.00 0.00 57.03 55.70 1dat h ASP 87 Cb 1.17 -0.08 -0.25 0.00 0.22 0.00 0.00 39.33 40.38 1dat h ASP 87 CO 0.42 1.33 -0.82 -1.61 -1.72 0.00 0.00 179.24 176.84 1dat s GLU 88 N -2.62 1.20 0.00 3.56 2.02 -1.26 -5.02 118.70 116.59 1dat s GLU 88 Ca -0.08 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.10 1dat s GLU 88 Cb 0.07 -1.28 0.14 0.00 0.10 0.00 0.00 34.13 33.17 1dat s GLU 88 CO 0.83 0.32 1.03 0.91 0.02 0.00 0.00 175.26 178.37 1dat n TRP 89 N 1.87 0.19 -4.05 1.61 7.02 -1.26 -5.10 117.44 117.72 1dat n TRP 89 Ca -0.17 -0.37 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 1dat n TRP 89 Cb 0.54 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1dat n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dat n GLY 90 N 0.15 0.34 3.94 6.99 0.00 -1.26 -3.73 105.19 111.62 1dat n GLY 90 Ca 0.06 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1dat n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dat s THR 91 N 0.00 2.23 0.26 2.61 -4.23 -1.26 -4.91 115.64 110.34 1dat s THR 91 Ca 0.00 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1dat s THR 91 Cb 0.00 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.58 1dat s THR 91 CO 0.00 0.00 1.72 0.74 -0.54 0.00 0.00 174.62 176.54 1dat h THR 92 N 0.67 0.60 -0.84 3.99 2.02 -1.99 0.61 112.91 117.98 1dat h THR 92 Ca -0.37 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1dat h THR 92 Cb 1.29 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1dat h THR 92 CO 0.52 0.08 0.40 1.55 0.37 0.00 0.00 175.52 178.44 1dat h PRO 93 N 0.42 1.22 -0.44 6.66 0.13 -1.95 0.22 132.00 138.26 1dat h PRO 93 Ca 0.45 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 65.35 1dat h PRO 93 Cb 0.73 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1dat h PRO 93 CO -0.44 0.94 0.10 -0.44 -0.23 0.00 0.00 178.00 177.93 1dat h ASP 94 N 1.20 0.68 -0.13 1.44 3.32 -1.33 -1.23 116.42 120.36 1dat h ASP 94 Ca 0.29 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1dat h ASP 94 Cb 0.12 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1dat h ASP 94 CO -0.04 0.74 0.04 0.00 -1.72 0.00 0.00 179.24 178.26 1dat h ALA 95 N 0.96 0.18 -0.76 3.45 0.00 -0.43 -2.15 119.26 120.51 1dat h ALA 95 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dat h ALA 95 Cb 0.33 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1dat h ALA 95 CO 0.00 -0.21 0.49 1.98 0.00 0.00 0.00 179.25 181.51 1dat h MET 96 N 0.04 1.01 -0.51 0.00 -1.53 -0.50 -0.08 114.93 113.36 1dat h MET 96 Ca 0.04 -0.07 0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1dat h MET 96 Cb 0.21 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.01 1dat h MET 96 CO -0.00 0.69 0.32 0.87 0.14 0.00 0.00 176.91 178.93 1dat h LYS 97 N 1.03 0.63 -0.49 0.39 1.57 -1.22 -0.42 116.57 118.08 1dat h LYS 97 Ca 0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1dat h LYS 97 Cb -0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1dat h LYS 97 CO -0.06 0.42 0.28 0.00 -0.57 0.00 0.00 179.45 179.52 1dat h ALA 98 N 1.21 0.62 -0.71 3.86 0.00 -0.67 -2.41 119.26 121.16 1dat h ALA 98 Ca 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1dat h ALA 98 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1dat h ALA 98 CO -0.07 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.51 1dat h ALA 99 N 1.12 1.01 -0.24 0.00 0.00 -0.67 -2.05 119.26 118.43 1dat h ALA 99 Ca 0.17 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1dat h ALA 99 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1dat h ALA 99 CO -0.03 0.65 -0.43 0.97 0.00 0.00 0.00 179.25 180.41 1dat h ILE 100 N 1.06 1.30 0.00 0.00 2.10 -0.76 -0.24 117.51 120.97 1dat h ILE 100 Ca 0.23 -1.61 -0.09 0.00 1.08 0.00 0.00 64.86 64.46 1dat h ILE 100 Cb 0.33 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 1dat h ILE 100 CO -0.00 0.51 -0.42 -0.37 -1.08 0.00 0.00 178.15 176.79 1dat h VAL 101 N 0.48 1.17 -0.14 2.19 -1.51 -1.29 -0.73 116.25 116.42 1dat h VAL 101 Ca 0.04 -1.51 -0.02 0.00 -1.23 0.00 0.00 66.70 63.98 1dat h VAL 101 Cb 0.95 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.94 1dat h VAL 101 CO 0.09 0.41 0.03 0.25 -1.23 0.00 0.00 177.57 177.12 1dat h LEU 102 N 0.00 0.22 -0.87 4.19 5.85 -1.02 -1.54 115.31 122.14 1dat h LEU 102 Ca -0.00 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1dat h LEU 102 Cb 0.81 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1dat h LEU 102 CO 0.05 0.41 0.37 -0.33 -0.34 0.00 0.00 178.44 178.61 1dat h GLU 103 N 0.03 1.19 -0.41 1.25 4.39 -0.67 -1.34 114.58 119.01 1dat h GLU 103 Ca 0.04 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1dat h GLU 103 Cb 0.28 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1dat h GLU 103 CO 0.00 0.93 0.06 0.87 -1.16 0.00 0.00 179.01 179.71 1dat h LYS 104 N 1.17 0.62 -0.03 2.33 1.79 -1.08 0.23 116.57 121.61 1dat h LYS 104 Ca 0.28 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1dat h LYS 104 Cb 0.15 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1dat h LYS 104 CO -0.03 0.60 0.02 0.77 -1.08 0.00 0.00 179.45 179.73 1dat h SER 105 N 0.60 0.03 -0.34 0.86 0.02 -0.23 -0.52 113.55 113.97 1dat h SER 105 Ca 0.13 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1dat h SER 105 Cb 0.29 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1dat h SER 105 CO 0.00 0.10 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.67 1dat h LEU 106 N -0.03 0.72 -0.64 5.07 3.38 -0.94 -2.17 115.31 120.70 1dat h LEU 106 Ca 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1dat h LEU 106 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1dat h LEU 106 CO -0.00 0.81 0.30 -1.13 0.09 0.00 0.00 178.44 178.51 1dat h ASN 107 N 0.68 0.84 -0.82 -0.43 -0.00 -0.23 -0.36 115.58 115.27 1dat h ASN 107 Ca 0.13 -0.14 0.02 0.00 -0.00 0.00 0.00 56.30 56.31 1dat h ASN 107 Cb 0.49 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.55 1dat h ASN 107 CO 0.03 0.75 0.54 -0.61 -0.00 0.00 0.00 177.43 178.13 1dat h GLN 108 N 0.88 1.05 -0.84 6.67 5.75 -0.75 -0.46 115.11 127.42 1dat h GLN 108 Ca 0.22 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1dat h GLN 108 Cb 0.13 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 1dat h GLN 108 CO -0.03 0.70 0.51 0.00 -2.65 0.00 0.00 178.83 177.36 1dat h ALA 109 N 1.31 1.07 -0.18 3.38 0.00 -0.82 0.48 119.26 124.51 1dat h ALA 109 Ca 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dat h ALA 109 Cb -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1dat h ALA 109 CO -0.08 0.53 0.10 -0.07 0.00 0.00 0.00 179.25 179.73 1dat h LEU 110 N 1.15 0.21 -0.56 0.00 3.38 -0.46 -0.50 115.31 118.54 1dat h LEU 110 Ca 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1dat h LEU 110 Cb -0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1dat h LEU 110 CO -0.06 0.21 0.33 -0.07 0.09 0.00 0.00 178.44 178.94 1dat h LEU 111 N 0.20 0.68 -0.94 1.67 3.38 -0.70 0.03 115.31 119.63 1dat h LEU 111 Ca 0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1dat h LEU 111 Cb 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dat h LEU 111 CO -0.01 0.55 0.09 0.44 0.09 0.00 0.00 178.44 179.60 1dat h ASP 112 N 0.75 0.81 -0.21 -0.43 3.32 0.06 -1.56 116.42 119.17 1dat h ASP 112 Ca 0.20 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1dat h ASP 112 Cb 0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1dat h ASP 112 CO -0.04 0.83 -0.10 0.25 -1.72 0.00 0.00 179.24 178.46 1dat h LEU 113 N 0.82 0.57 -0.44 1.55 5.85 -0.25 -2.09 115.31 121.32 1dat h LEU 113 Ca 0.17 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1dat h LEU 113 Cb 0.37 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1dat h LEU 113 CO 0.01 0.71 0.00 -0.74 -0.34 0.00 0.00 178.44 178.08 1dat h HIS 114 N 0.54 0.84 -0.81 1.25 2.76 -0.82 -0.36 115.15 118.55 1dat h HIS 114 Ca 0.10 -0.15 0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1dat h HIS 114 Cb 0.50 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1dat h HIS 114 CO 0.02 0.83 0.53 0.00 -1.30 0.00 0.00 177.93 178.01 1dat h ALA 115 N 0.91 1.45 -0.36 5.26 0.00 -0.95 0.10 119.26 125.67 1dat h ALA 115 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1dat h ALA 115 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dat h ALA 115 CO 0.02 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 1dat h LEU 116 N 1.06 0.64 -0.71 0.00 5.85 -1.08 0.13 115.31 121.20 1dat h LEU 116 Ca 0.30 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1dat h LEU 116 Cb -0.08 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1dat h LEU 116 CO -0.07 0.82 0.38 1.23 -0.34 0.00 0.00 178.44 180.45 1dat h GLY 117 N 0.46 1.07 0.82 3.75 0.00 -0.71 0.34 103.07 108.80 1dat h GLY 117 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1dat h GLY 117 CO 0.02 0.48 -0.05 1.76 0.00 0.00 0.00 176.54 178.75 1dat h SER 118 N 0.98 -0.16 -0.81 0.19 0.02 -0.69 0.34 113.55 113.42 1dat h SER 118 Ca 0.25 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1dat h SER 118 Cb 0.06 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1dat h SER 118 CO -0.04 -0.08 0.47 0.00 -1.14 0.00 0.00 176.83 176.04 1dat h ALA 119 N 0.94 1.03 0.00 3.77 0.00 -0.59 -1.55 119.26 122.87 1dat h ALA 119 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dat h ALA 119 Cb 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1dat h ALA 119 CO -0.08 0.52 0.00 1.04 0.00 0.00 0.00 179.25 180.73 1dat n GLN 120 N -4.44 0.59 -3.54 0.00 1.13 0.11 -4.93 117.38 106.31 1dat n GLN 120 Ca 0.08 0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.94 1dat n GLN 120 Cb 0.07 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 28.97 1dat n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dat n ALA 121 N -1.16 -2.31 -3.71 -1.58 0.00 -0.58 -4.98 120.51 106.20 1dat n ALA 121 Ca 0.16 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 1dat n ALA 121 Cb 0.16 -3.77 -0.09 0.00 0.00 0.00 0.00 19.45 15.75 1dat n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dat s ASP 122 N -3.82 5.40 0.40 0.00 -1.08 0.11 -4.95 116.67 112.74 1dat s ASP 122 Ca 0.28 -3.14 0.07 0.00 -0.52 0.00 0.00 52.55 49.24 1dat s ASP 122 Cb -0.07 -1.86 0.83 0.00 -1.46 0.00 0.00 42.92 40.37 1dat s ASP 122 CO 0.80 -0.30 2.02 1.55 0.52 0.00 0.00 175.17 179.75 1dat h PRO 123 N 6.67 0.47 -0.48 4.34 0.14 -1.94 -2.88 132.00 138.31 1dat h PRO 123 Ca 0.04 -0.05 -0.06 0.00 0.14 0.00 0.00 66.00 66.07 1dat h PRO 123 Cb 0.91 -0.10 -0.02 0.00 0.14 0.00 0.00 31.00 31.93 1dat h PRO 123 CO 0.75 0.37 0.05 1.25 0.14 0.00 0.00 178.00 180.56 1dat h HIS 124 N 0.47 0.88 -0.38 1.56 -0.00 -1.97 -0.16 115.15 115.56 1dat h HIS 124 Ca 0.12 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 1dat h HIS 124 Cb 0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1dat h HIS 124 CO 0.00 0.82 0.12 1.25 -0.00 0.00 0.00 177.93 180.12 1dat h LEU 125 N 0.69 0.56 -0.49 0.26 7.12 -1.93 -0.53 115.31 120.99 1dat h LEU 125 Ca 0.14 -0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 1dat h LEU 125 Cb 0.44 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.40 1dat h LEU 125 CO 0.02 0.62 0.25 0.00 -0.13 0.00 0.00 178.44 179.20 1dat h ASP 127 N 0.65 0.82 -0.27 0.00 3.58 -0.83 -1.83 116.42 118.53 1dat h ASP 127 Ca 0.17 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.64 1dat h ASP 127 Cb 0.08 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 1dat h ASP 127 CO -0.02 0.60 0.04 0.15 -2.88 0.00 0.00 179.24 177.12 1dat h PHE 128 N 0.96 0.06 -0.66 0.28 3.57 -0.68 0.13 116.94 120.59 1dat h PHE 128 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 1dat h PHE 128 Cb -0.11 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1dat h PHE 128 CO -0.02 0.00 0.11 -0.07 -2.23 0.00 0.00 178.31 176.10 1dat h LEU 129 N 0.13 1.04 -0.09 0.59 3.38 -1.17 0.45 115.31 119.63 1dat h LEU 129 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1dat h LEU 129 Cb 0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1dat h LEU 129 CO -0.18 1.02 -0.01 -0.33 0.09 0.00 0.00 178.44 179.03 1dat h GLU 130 N 1.02 0.17 0.01 1.13 5.08 -1.11 -0.35 114.58 120.53 1dat h GLU 130 Ca 0.20 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.30 1dat h GLU 130 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1dat h GLU 130 CO 0.01 0.46 -0.91 0.66 -1.00 0.00 0.00 179.01 178.23 1dat h SER 131 N -0.14 0.25 0.00 1.42 4.64 -0.71 -3.37 113.55 115.63 1dat h SER 131 Ca 0.02 -0.21 -0.17 0.00 -0.47 0.00 0.00 61.79 60.96 1dat h SER 131 Cb 0.40 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1dat h SER 131 CO 0.01 1.04 -1.99 1.41 -0.87 0.00 0.00 176.83 176.43 1dat n HIS 132 N -3.63 0.00 0.00 4.77 8.25 0.14 -4.88 115.22 119.88 1dat n HIS 132 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1dat n HIS 132 Cb 0.83 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1dat n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1dat n PHE 133 N -2.39 0.00 -0.10 4.41 3.01 -0.35 -4.63 117.46 117.41 1dat n PHE 133 Ca -0.16 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.21 1dat n PHE 133 Cb 0.78 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.24 1dat n PHE 133 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1dat h LEU 134 N 0.00 0.36 -0.40 4.37 4.07 -1.31 -1.24 115.31 121.17 1dat h LEU 134 Ca 0.00 -0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 1dat h LEU 134 Cb 0.91 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 1dat h LEU 134 CO 0.00 0.26 -0.80 -0.78 -1.08 0.00 0.00 178.44 176.05 1dat h ASP 135 N 0.44 0.23 -0.38 -0.43 3.58 -1.83 -2.63 116.42 115.40 1dat h ASP 135 Ca 0.13 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.45 1dat h ASP 135 Cb -0.03 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1dat h ASP 135 CO -0.04 0.93 0.13 -0.08 -2.88 0.00 0.00 179.24 177.30 1dat h GLU 136 N 0.11 0.27 -0.13 0.28 4.57 -1.75 -0.20 114.58 117.74 1dat h GLU 136 Ca -0.03 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1dat h GLU 136 Cb 1.39 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1dat h GLU 136 CO 0.12 0.18 0.02 0.93 -1.18 0.00 0.00 179.01 179.08 1dat h GLU 137 N 0.28 0.22 -0.56 1.92 4.39 -1.22 -0.41 114.58 119.19 1dat h GLU 137 Ca 0.17 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.87 1dat h GLU 137 Cb 0.15 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 1dat h GLU 137 CO -0.18 0.41 0.27 0.28 -1.16 0.00 0.00 179.01 178.63 1dat h VAL 138 N -0.01 0.91 -0.66 3.13 2.07 -1.08 0.29 116.25 120.89 1dat h VAL 138 Ca 0.04 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1dat h VAL 138 Cb 0.30 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1dat h VAL 138 CO 0.00 0.09 0.15 0.11 0.02 0.00 0.00 177.57 177.95 1dat h LYS 139 N 0.51 1.06 -0.34 1.57 1.57 -1.00 -1.62 116.57 118.33 1dat h LYS 139 Ca 0.26 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1dat h LYS 139 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1dat h LYS 139 CO -0.20 0.95 -0.23 1.25 -0.57 0.00 0.00 179.45 180.65 1dat h LEU 140 N 0.99 0.79 -1.00 2.94 5.85 -0.42 -2.02 115.31 122.44 1dat h LEU 140 Ca 0.21 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1dat h LEU 140 Cb 0.37 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1dat h LEU 140 CO 0.00 1.05 0.25 0.40 -0.34 0.00 0.00 178.44 179.81 1dat h ILE 141 N 0.53 1.23 -0.68 4.05 2.04 -0.91 0.46 117.51 124.24 1dat h ILE 141 Ca 0.07 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1dat h ILE 141 Cb 0.79 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1dat h ILE 141 CO 0.06 0.29 0.30 0.50 0.00 0.00 0.00 178.15 179.31 1dat h LYS 142 N 0.95 0.99 -0.39 2.37 1.63 -1.12 0.94 116.57 121.94 1dat h LYS 142 Ca 0.22 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1dat h LYS 142 Cb 0.20 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1dat h LYS 142 CO -0.02 0.80 0.20 -0.22 -3.45 0.00 0.00 179.45 176.77 1dat h LYS 143 N 0.95 0.56 -0.68 1.90 3.64 -0.61 -0.15 116.57 122.18 1dat h LYS 143 Ca 0.23 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1dat h LYS 143 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1dat h LYS 143 CO -0.03 0.47 0.25 0.52 -2.27 0.00 0.00 179.45 178.39 1dat h MET 144 N 0.50 1.02 -0.34 1.90 2.86 -0.60 -1.10 114.93 119.16 1dat h MET 144 Ca 0.14 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1dat h MET 144 Cb 0.09 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1dat h MET 144 CO -0.02 0.85 0.18 0.78 1.06 0.00 0.00 176.91 179.76 1dat h GLY 145 N 1.07 0.52 0.67 8.32 0.00 -0.36 0.42 103.07 113.71 1dat h GLY 145 Ca 0.23 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1dat h GLY 145 CO -0.02 0.24 0.11 -0.55 0.00 0.00 0.00 176.54 176.32 1dat h ASP 146 N 0.43 0.10 -0.48 0.19 3.32 -0.78 -0.23 116.42 118.96 1dat h ASP 146 Ca 0.12 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1dat h ASP 146 Cb 0.09 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1dat h ASP 146 CO -0.02 0.09 0.29 0.45 -1.72 0.00 0.00 179.24 178.34 1dat h HIS 147 N 0.25 0.64 -0.60 4.55 3.86 -1.01 -1.66 115.15 121.17 1dat h HIS 147 Ca 0.16 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 1dat h HIS 147 Cb 0.15 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 1dat h HIS 147 CO -0.15 0.45 0.29 1.25 0.86 0.00 0.00 177.93 180.62 1dat h LEU 148 N 0.65 0.38 -0.16 2.43 7.12 -0.06 -0.36 115.31 125.30 1dat h LEU 148 Ca 0.17 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 1dat h LEU 148 Cb -0.01 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1dat h LEU 148 CO -0.03 0.24 0.09 0.74 -0.13 0.00 0.00 178.44 179.35 1dat h THR 149 N 0.53 1.09 -0.61 1.05 2.02 -0.86 -1.16 112.91 114.97 1dat h THR 149 Ca 0.28 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1dat h THR 149 Cb 0.26 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1dat h THR 149 CO -0.22 0.08 0.39 0.78 0.37 0.00 0.00 175.52 176.91 1dat h ASN 150 N 0.17 0.71 -0.18 4.18 4.21 -0.82 -1.87 115.58 121.99 1dat h ASN 150 Ca 0.06 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1dat h ASN 150 Cb 0.05 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1dat h ASN 150 CO -0.01 0.53 0.06 0.40 -1.29 0.00 0.00 177.43 177.12 1dat h ILE 151 N 0.82 1.18 -0.75 2.81 2.04 -0.98 -2.71 117.51 119.92 1dat h ILE 151 Ca 0.22 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.56 1dat h ILE 151 Cb -0.06 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1dat h ILE 151 CO -0.05 0.18 0.49 1.56 0.00 0.00 0.00 178.15 180.33 1dat h GLN 152 N 0.11 0.80 -0.40 2.37 4.20 -1.05 0.93 115.11 122.06 1dat h GLN 152 Ca 0.06 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1dat h GLN 152 Cb 0.23 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1dat h GLN 152 CO -0.00 0.53 0.22 -0.09 -0.67 0.00 0.00 178.83 178.81 1dat h ARG 153 N 0.82 0.43 0.00 1.46 2.43 -1.23 -1.11 114.38 117.19 1dat h ARG 153 Ca 0.32 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1dat h ARG 153 Cb 0.20 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1dat h ARG 153 CO -0.10 0.28 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.57 1dat h LEU 154 N 0.44 -0.00 -1.13 3.80 3.38 -0.88 -2.52 115.31 118.40 1dat h LEU 154 Ca 0.16 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1dat h LEU 154 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dat h LEU 154 CO -0.09 0.58 -0.40 0.58 0.09 0.00 0.00 178.44 179.21 1dat h VAL 155 N -0.60 1.10 -0.06 1.22 2.07 -0.96 0.41 116.25 119.43 1dat h VAL 155 Ca -0.00 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1dat h VAL 155 Cb 0.59 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1dat h VAL 155 CO 0.00 0.39 0.02 1.23 0.02 0.00 0.00 177.57 179.23 1dat h GLY 156 N 1.54 0.10 0.73 2.17 0.00 -1.21 -2.80 103.07 103.60 1dat h GLY 156 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1dat h GLY 156 CO 0.05 0.05 -0.03 1.76 0.00 0.00 0.00 176.54 178.37 1dat h SER 157 N -0.06 -0.06 -1.12 0.19 0.02 -0.88 -3.43 113.55 108.20 1dat h SER 157 Ca 0.02 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.59 1dat h SER 157 Cb 0.16 0.02 -0.20 0.00 0.14 0.00 0.00 62.40 62.52 1dat h SER 157 CO -0.00 0.21 -0.50 -1.58 -1.14 0.00 0.00 176.83 173.82 1dat s GLN 158 N -5.11 0.89 0.09 3.45 0.74 0.14 -5.06 119.66 114.80 1dat s GLN 158 Ca -0.15 -0.63 -0.18 0.00 0.05 0.00 0.00 55.36 54.45 1dat s GLN 158 Cb 0.03 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1dat s GLN 158 CO 0.65 -1.24 0.92 0.00 -0.55 0.00 0.00 175.29 175.07 1dat n ALA 159 N 3.87 -0.36 -0.03 1.58 0.00 -1.06 0.24 120.51 124.75 1dat n ALA 159 Ca 0.14 0.48 -0.12 0.00 0.00 0.00 0.00 53.44 53.94 1dat n ALA 159 Cb 0.55 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 1dat n ALA 159 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dat h GLY 160 N 0.00 0.19 0.95 0.00 0.00 -1.93 -1.48 103.07 100.81 1dat h GLY 160 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.29 1dat h GLY 160 CO -0.54 0.13 0.32 -2.00 0.00 0.00 0.00 176.54 174.46 1dat h LEU 161 N -0.11 0.55 -0.10 3.11 5.85 -1.80 -2.55 115.31 120.27 1dat h LEU 161 Ca 0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1dat h LEU 161 Cb 0.37 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1dat h LEU 161 CO 0.01 0.39 0.02 1.23 -0.34 0.00 0.00 178.44 179.75 1dat h GLY 162 N 0.66 0.11 0.92 3.75 0.00 -0.15 0.13 103.07 108.49 1dat h GLY 162 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.53 1dat h GLY 162 CO -0.06 0.01 0.23 0.83 0.00 0.00 0.00 176.54 177.55 1dat h GLU 163 N 0.07 0.46 0.09 4.80 5.08 -1.23 -1.59 114.58 122.25 1dat h GLU 163 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1dat h GLU 163 Cb 0.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1dat h GLU 163 CO -0.05 0.30 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.30 1dat h TYR 164 N 0.47 -0.11 -0.75 4.33 3.20 -1.28 -2.32 116.97 120.51 1dat h TYR 164 Ca 0.15 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1dat h TYR 164 Cb -0.00 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1dat h TYR 164 CO -0.07 -0.03 0.49 -0.07 -1.64 0.00 0.00 178.16 176.84 1dat h LEU 165 N -0.17 0.85 -0.77 2.82 3.38 -0.59 -1.00 115.31 119.83 1dat h LEU 165 Ca -0.01 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1dat h LEU 165 Cb 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1dat h LEU 165 CO 0.02 0.61 0.49 0.15 0.09 0.00 0.00 178.44 179.79 1dat h PHE 166 N 1.00 0.91 -0.41 1.13 3.57 -1.26 0.30 116.94 122.18 1dat h PHE 166 Ca 0.28 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 1dat h PHE 166 Cb -0.09 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 1dat h PHE 166 CO -0.02 0.52 -0.13 1.49 -2.23 0.00 0.00 178.31 177.93 1dat h GLU 167 N 0.94 0.81 -0.18 1.11 4.22 -0.94 0.74 114.58 121.29 1dat h GLU 167 Ca 0.31 -0.33 -0.09 0.00 0.08 0.00 0.00 59.36 59.33 1dat h GLU 167 Cb 0.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1dat h GLU 167 CO -0.12 0.95 -0.24 0.00 -2.18 0.00 0.00 179.01 177.43 1dat h ARG 168 N 0.63 0.48 0.00 1.92 2.47 -0.84 -1.81 114.38 117.23 1dat h ARG 168 Ca 0.10 -0.27 -0.14 0.00 -1.26 0.00 0.00 59.98 58.40 1dat h ARG 168 Cb 0.67 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 1dat h ARG 168 CO 0.05 0.86 -1.72 1.28 0.56 0.00 0.00 179.97 181.00 1dat n LEU 169 N -4.42 0.46 -0.07 3.04 4.32 0.10 -4.05 117.00 116.38 1dat n LEU 169 Ca -0.06 0.20 -0.14 0.00 -0.02 0.00 0.00 56.01 55.99 1dat n LEU 169 Cb 0.43 0.13 -0.05 0.00 -1.62 0.00 0.00 43.42 42.31 1dat n LEU 169 CO 0.42 0.14 -0.84 0.41 -1.22 0.00 0.00 177.39 176.30 1dat n THR 170 N -2.67 1.24 0.75 -5.08 -1.04 0.19 -4.51 114.28 103.16 1dat n THR 170 Ca -0.12 -0.04 0.12 0.00 -2.04 0.00 0.00 64.05 61.98 1dat n THR 170 Cb 0.80 -1.94 0.50 0.00 -1.82 0.00 0.00 70.33 67.87 1dat n THR 170 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1dat n LEU 171 N -4.02 0.31 -1.53 -4.42 4.32 -0.84 0.12 117.00 110.94 1dat n LEU 171 Ca -0.25 0.54 -0.04 0.00 -0.02 0.00 0.00 56.01 56.24 1dat n LEU 171 Cb 0.58 -0.45 0.19 0.00 -1.62 0.00 0.00 43.42 42.11 1dat n LEU 171 CO 0.08 -0.15 0.79 1.17 -1.22 0.00 0.00 177.39 178.06 1dat n LYS 172 N -1.80 2.65 0.05 3.23 4.81 -0.69 -4.35 118.16 122.06 1dat n LYS 172 Ca 0.06 -1.88 0.00 0.00 -0.87 0.00 0.00 58.31 55.62 1dat n LYS 172 Cb 0.33 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1dat n LYS 172 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1dat n HIS 173 N -0.02 -1.03 -0.81 5.64 8.25 0.20 -4.95 115.22 122.50 1dat n HIS 173 Ca 0.26 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1dat n HIS 173 Cb 1.00 0.63 0.00 0.00 1.12 0.00 0.00 29.99 32.75 1dat n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51