#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rcd h GLN 3 N 0.00 0.00 0.00 -1.46 3.07 -1.99 -2.77 115.11 111.96 1rcd h GLN 3 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 1rcd h GLN 3 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 1rcd h GLN 3 CO 0.00 0.00 -1.39 0.28 0.09 0.00 0.00 178.83 177.81 1rcd n VAL 4 N -2.91 1.00 -1.80 1.86 0.31 -1.26 -4.96 118.33 110.57 1rcd n VAL 4 Ca -0.01 -0.65 -0.42 0.00 -0.01 0.00 0.00 64.34 63.25 1rcd n VAL 4 Cb 0.18 -0.59 -0.03 0.00 -0.91 0.00 0.00 33.84 32.49 1rcd n VAL 4 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1rcd s ARG 5 N -3.04 4.16 -0.26 5.55 3.52 -1.05 -4.80 118.95 123.03 1rcd s ARG 5 Ca -0.03 2.51 -0.13 0.00 -0.13 0.00 0.00 55.73 57.96 1rcd s ARG 5 Cb 0.09 -3.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.37 1rcd s ARG 5 CO 0.81 -0.72 0.61 -1.14 -0.81 0.00 0.00 175.30 174.06 1rcd s GLN 6 N 1.45 0.59 -1.46 5.12 0.74 -1.26 -4.92 119.66 119.93 1rcd s GLN 6 Ca 0.74 1.21 -0.09 0.00 0.05 0.00 0.00 55.36 57.27 1rcd s GLN 6 Cb -0.47 0.32 0.04 0.00 1.10 0.00 0.00 33.01 34.01 1rcd s GLN 6 CO 0.32 -0.17 0.76 -1.71 -0.55 0.00 0.00 175.29 173.94 1rcd n ASN 7 N 4.70 -5.22 -4.05 6.67 5.15 -1.26 -4.95 115.26 116.29 1rcd n ASN 7 Ca -0.17 -0.47 -0.32 0.00 -0.60 0.00 0.00 54.58 53.01 1rcd n ASN 7 Cb 0.55 -4.21 -0.15 0.00 -0.53 0.00 0.00 39.78 35.45 1rcd n ASN 7 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1rcd s PHE 8 N -3.16 3.58 0.37 1.20 5.36 -1.26 -4.82 117.98 119.24 1rcd s PHE 8 Ca 0.46 -2.70 -0.25 0.00 -0.96 0.00 0.00 56.93 53.48 1rcd s PHE 8 Cb -0.22 -2.62 -0.09 0.00 -0.34 0.00 0.00 43.02 39.74 1rcd s PHE 8 CO 0.57 -0.92 1.04 -1.58 -1.46 0.00 0.00 175.22 172.87 1rcd s HIS 9 N 1.00 3.37 0.32 10.12 5.65 -1.26 -4.94 115.29 129.54 1rcd s HIS 9 Ca 0.04 1.67 0.05 0.00 0.25 0.00 0.00 55.06 57.07 1rcd s HIS 9 Cb -0.20 -3.12 0.69 0.00 -1.18 0.00 0.00 32.58 28.78 1rcd s HIS 9 CO -0.06 -0.50 1.85 0.37 -0.65 0.00 0.00 174.74 175.74 1rcd h GLN 10 N 2.77 0.81 -0.21 2.88 4.15 -1.99 -0.97 115.11 122.55 1rcd h GLN 10 Ca -0.48 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 58.82 1rcd h GLN 10 Cb 1.21 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 1rcd h GLN 10 CO 0.63 0.54 -0.18 -0.44 -1.93 0.00 0.00 178.83 177.45 1rcd h ASP 11 N 0.84 0.35 -0.03 -0.69 5.19 -1.99 -0.43 116.42 119.65 1rcd h ASP 11 Ca 0.48 -0.09 -0.23 0.00 -0.62 0.00 0.00 57.03 56.57 1rcd h ASP 11 Cb 0.63 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.06 1rcd h ASP 11 CO -0.25 0.54 -0.83 0.00 -3.12 0.00 0.00 179.24 175.59 1rcd h GLU 13 N 0.46 0.52 -0.41 0.00 4.81 -1.03 -1.10 114.58 117.82 1rcd h GLU 13 Ca -0.07 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1rcd h GLU 13 Cb 1.46 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1rcd h GLU 13 CO 0.16 0.43 -0.10 0.00 -0.73 0.00 0.00 179.01 178.77 1rcd h ALA 14 N 1.06 0.57 -0.64 2.92 0.00 -1.08 -2.32 119.26 119.78 1rcd h ALA 14 Ca 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1rcd h ALA 14 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rcd h ALA 14 CO -0.02 0.45 0.29 0.78 0.00 0.00 0.00 179.25 180.75 1rcd h GLY 15 N 0.62 0.97 0.92 0.00 0.00 -1.02 -1.41 103.07 103.16 1rcd h GLY 15 Ca 0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1rcd h GLY 15 CO 0.04 0.45 0.08 -2.00 0.00 0.00 0.00 176.54 175.11 1rcd h LEU 16 N 0.90 0.20 -1.19 3.11 5.85 -0.94 -0.24 115.31 123.00 1rcd h LEU 16 Ca 0.22 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1rcd h LEU 16 Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1rcd h LEU 16 CO -0.03 0.25 0.27 0.78 -0.34 0.00 0.00 178.44 179.37 1rcd h ASN 17 N 0.14 0.75 -0.39 1.25 2.35 -1.00 -1.44 115.58 117.24 1rcd h ASN 17 Ca 0.05 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 1rcd h ASN 17 Cb 0.10 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1rcd h ASN 17 CO -0.01 0.65 -0.24 -0.09 -1.65 0.00 0.00 177.43 176.09 1rcd h ARG 18 N 0.83 0.90 -0.15 0.81 2.43 -0.97 -3.08 114.38 115.14 1rcd h ARG 18 Ca 0.20 -0.39 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 1rcd h ARG 18 Cb 0.11 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1rcd h ARG 18 CO -0.02 1.04 -0.39 1.15 -1.51 0.00 0.00 179.97 180.23 1rcd h THR 19 N 0.78 1.30 -0.20 0.20 2.02 -0.32 -2.53 112.91 114.15 1rcd h THR 19 Ca 0.10 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 1rcd h THR 19 Cb 0.80 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1rcd h THR 19 CO 0.07 0.46 -0.27 -0.37 0.37 0.00 0.00 175.52 175.78 1rcd h VAL 20 N 0.27 1.26 -0.46 3.16 -1.51 -1.22 -1.04 116.25 116.71 1rcd h VAL 20 Ca 0.03 -1.25 -0.06 0.00 -1.23 0.00 0.00 66.70 64.18 1rcd h VAL 20 Cb 0.82 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.37 1rcd h VAL 20 CO 0.07 0.39 0.05 -1.13 -1.23 0.00 0.00 177.57 175.71 1rcd h ASN 21 N 0.34 0.76 -0.44 4.19 -0.73 -1.42 -0.56 115.58 117.74 1rcd h ASN 21 Ca 0.05 -0.28 0.02 0.00 1.87 0.00 0.00 56.30 57.96 1rcd h ASN 21 Cb 0.66 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 1rcd h ASN 21 CO 0.05 0.85 0.25 0.25 -0.37 0.00 0.00 177.43 178.46 1rcd h LEU 22 N 0.65 0.40 -0.88 0.34 6.46 -1.16 0.13 115.31 121.25 1rcd h LEU 22 Ca 0.14 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1rcd h LEU 22 Cb 0.43 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1rcd h LEU 22 CO 0.01 0.29 0.36 0.11 -0.62 0.00 0.00 178.44 178.59 1rcd h LYS 23 N 0.50 1.17 -0.46 1.25 1.79 -0.88 -0.83 116.57 119.12 1rcd h LYS 23 Ca 0.18 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1rcd h LYS 23 Cb 0.03 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1rcd h LYS 23 CO -0.09 0.92 -0.16 0.74 -1.08 0.00 0.00 179.45 179.78 1rcd h PHE 24 N 1.15 0.99 -0.64 -1.35 0.04 -0.63 -1.97 116.94 114.52 1rcd h PHE 24 Ca 0.27 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 1rcd h PHE 24 Cb 0.15 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 1rcd h PHE 24 CO 0.02 0.97 0.19 1.25 -0.60 0.00 0.00 178.31 180.14 1rcd h HIS 25 N 0.78 1.04 -0.51 -0.55 2.76 -0.55 -1.25 115.15 116.87 1rcd h HIS 25 Ca 0.12 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1rcd h HIS 25 Cb 0.69 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1rcd h HIS 25 CO 0.04 0.85 0.21 0.77 -1.30 0.00 0.00 177.93 178.50 1rcd h SER 26 N 0.93 0.69 -0.52 3.26 0.02 -1.06 -0.80 113.55 116.07 1rcd h SER 26 Ca 0.21 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1rcd h SER 26 Cb 0.30 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 1rcd h SER 26 CO -0.01 0.66 0.25 -1.28 -1.14 0.00 0.00 176.83 175.32 1rcd h SER 27 N 0.68 0.35 -0.84 3.07 0.87 -1.13 -1.19 113.55 115.35 1rcd h SER 27 Ca 0.17 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1rcd h SER 27 Cb 0.18 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1rcd h SER 27 CO -0.02 0.24 0.41 0.22 -0.53 0.00 0.00 176.83 177.15 1rcd h TYR 28 N 0.49 1.20 -0.40 2.24 3.20 -0.85 -0.52 116.97 122.33 1rcd h TYR 28 Ca 0.23 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1rcd h TYR 28 Cb 0.16 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1rcd h TYR 28 CO -0.11 0.87 0.17 0.28 -1.64 0.00 0.00 178.16 177.72 1rcd h VAL 29 N 1.19 1.19 -0.69 1.81 2.07 -0.54 -1.64 116.25 119.64 1rcd h VAL 29 Ca 0.29 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1rcd h VAL 29 Cb 0.11 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1rcd h VAL 29 CO -0.04 0.21 0.22 1.88 0.02 0.00 0.00 177.57 179.86 1rcd h TYR 30 N 0.50 1.08 -0.72 1.57 0.05 -0.85 -1.74 116.97 116.87 1rcd h TYR 30 Ca 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1rcd h TYR 30 Cb 0.17 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1rcd h TYR 30 CO -0.00 0.86 0.42 1.25 -1.05 0.00 0.00 178.16 179.64 1rcd h LEU 31 N 1.01 0.88 -0.50 3.88 5.85 -0.85 0.27 115.31 125.87 1rcd h LEU 31 Ca 0.22 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1rcd h LEU 31 Cb 0.28 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1rcd h LEU 31 CO -0.01 0.70 0.33 -1.28 -0.34 0.00 0.00 178.44 177.83 1rcd h SER 32 N 0.99 0.57 -0.25 1.25 0.87 -0.86 -1.28 113.55 114.84 1rcd h SER 32 Ca 0.26 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1rcd h SER 32 Cb -0.01 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1rcd h SER 32 CO -0.05 0.42 0.12 0.24 -0.53 0.00 0.00 176.83 177.03 1rcd h MET 33 N 0.67 0.37 -0.55 2.24 2.86 -0.81 -1.50 114.93 118.21 1rcd h MET 33 Ca 0.18 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1rcd h MET 33 Cb -0.07 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 1rcd h MET 33 CO -0.04 0.38 0.22 0.00 1.06 0.00 0.00 176.91 178.53 1rcd h ALA 34 N 0.97 0.69 -0.74 6.32 0.00 -0.73 -1.87 119.26 123.90 1rcd h ALA 34 Ca 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1rcd h ALA 34 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rcd h ALA 34 CO -0.01 -0.18 0.28 0.77 0.00 0.00 0.00 179.25 180.11 1rcd h SER 35 N 0.41 1.03 -0.78 0.00 0.02 -1.08 -2.90 113.55 110.25 1rcd h SER 35 Ca 0.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1rcd h SER 35 Cb 0.28 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1rcd h SER 35 CO -0.25 0.92 0.47 0.22 -1.14 0.00 0.00 176.83 177.05 1rcd h TYR 36 N 1.08 1.03 0.00 3.45 3.20 -0.50 -2.55 116.97 122.68 1rcd h TYR 36 Ca 0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1rcd h TYR 36 Cb 0.23 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1rcd h TYR 36 CO 0.02 0.69 0.00 1.19 -1.64 0.00 0.00 178.16 178.42 1rcd n PHE 37 N -4.48 0.00 1.19 -3.82 3.72 -0.85 -2.34 117.46 110.87 1rcd n PHE 37 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 1rcd n PHE 37 Cb 0.06 -0.49 0.25 0.00 -0.94 0.00 0.00 39.48 38.36 1rcd n PHE 37 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1rcd n ASN 38 N -1.49 1.81 -4.77 4.37 3.02 -0.97 -1.04 115.26 116.21 1rcd n ASN 38 Ca 0.05 -1.43 -0.39 0.00 -0.03 0.00 0.00 54.58 52.78 1rcd n ASN 38 Cb 0.24 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1rcd n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1rcd s ARG 39 N -2.28 3.84 0.59 3.52 0.52 -0.99 -4.73 118.95 119.43 1rcd s ARG 39 Ca 0.27 2.25 0.31 0.00 -0.52 0.00 0.00 55.73 58.03 1rcd s ARG 39 Cb 0.19 -2.70 1.86 0.00 0.52 0.00 0.00 34.95 34.83 1rcd s ARG 39 CO 0.45 -0.64 2.26 0.38 0.02 0.00 0.00 175.30 177.78 1rcd h ASP 40 N 2.50 0.00 -0.41 0.23 2.03 -1.91 0.30 116.42 119.16 1rcd h ASP 40 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1rcd h ASP 40 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1rcd h ASP 40 CO 0.62 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 1rcd n ASP 41 N -3.81 2.58 0.03 4.15 5.75 -1.26 -4.29 116.55 119.70 1rcd n ASP 41 Ca -0.03 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1rcd n ASP 41 Cb 0.08 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1rcd n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1rcd n VAL 42 N 0.91 0.53 -3.87 2.12 0.31 -0.25 -5.08 118.33 112.99 1rcd n VAL 42 Ca 0.17 0.17 -0.31 0.00 -0.01 0.00 0.00 64.34 64.36 1rcd n VAL 42 Cb 0.43 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 31.95 1rcd n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rcd n ALA 43 N -3.21 -2.32 -3.79 3.52 0.00 0.89 -4.95 120.51 110.65 1rcd n ALA 43 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 1rcd n ALA 43 Cb 0.23 -2.70 -0.11 0.00 0.00 0.00 0.00 19.45 16.86 1rcd n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rcd n LEU 44 N -4.41 2.86 -0.31 0.00 4.77 -0.20 -4.97 117.00 114.73 1rcd n LEU 44 Ca -0.20 -5.18 0.16 0.00 -0.03 0.00 0.00 56.01 50.76 1rcd n LEU 44 Cb 0.63 -0.64 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 1rcd n LEU 44 CO 0.72 1.81 1.21 0.77 -1.33 0.00 0.00 177.39 180.57 1rcd h SER 45 N 5.21 0.61 1.46 -1.43 4.64 -1.93 -1.59 113.55 120.52 1rcd h SER 45 Ca 0.16 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1rcd h SER 45 Cb 0.75 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1rcd h SER 45 CO 0.71 0.23 -0.28 0.78 -0.87 0.00 0.00 176.83 177.40 1rcd h ASN 46 N 0.60 0.00 -0.13 4.97 -0.26 -1.89 -1.20 115.58 117.67 1rcd h ASN 46 Ca 0.53 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.14 1rcd h ASN 46 Cb 1.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 1rcd h ASN 46 CO -0.28 0.28 -0.42 -0.26 -1.06 0.00 0.00 177.43 175.68 1rcd h PHE 47 N 0.00 0.68 -0.29 1.19 -1.00 -1.63 -1.89 116.94 114.00 1rcd h PHE 47 Ca -0.00 -0.28 0.03 0.00 2.81 0.00 0.00 57.97 60.53 1rcd h PHE 47 Cb 1.08 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.49 1rcd h PHE 47 CO 0.00 1.03 0.10 0.00 -1.61 0.00 0.00 178.31 177.83 1rcd h ALA 48 N 0.52 0.33 -0.39 2.45 0.00 -1.27 -1.41 119.26 119.48 1rcd h ALA 48 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1rcd h ALA 48 Cb 1.05 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1rcd h ALA 48 CO 0.09 -0.31 0.17 -0.22 0.00 0.00 0.00 179.25 178.98 1rcd h LYS 49 N 0.23 0.34 -0.18 0.00 3.64 -1.20 0.08 116.57 119.47 1rcd h LYS 49 Ca 0.13 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1rcd h LYS 49 Cb 0.10 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1rcd h LYS 49 CO -0.14 0.22 0.04 0.35 -2.27 0.00 0.00 179.45 177.66 1rcd h PHE 50 N 0.35 0.07 0.00 1.91 3.57 -0.92 -1.16 116.94 120.75 1rcd h PHE 50 Ca 0.17 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1rcd h PHE 50 Cb 0.12 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1rcd h PHE 50 CO -0.12 0.03 -0.48 0.74 -2.23 0.00 0.00 178.31 176.24 1rcd h PHE 51 N 0.12 0.00 -0.48 0.41 0.04 -1.01 -1.92 116.94 114.10 1rcd h PHE 51 Ca 0.08 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 1rcd h PHE 51 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1rcd h PHE 51 CO -0.13 0.48 0.03 -0.09 -0.60 0.00 0.00 178.31 178.00 1rcd h ARG 52 N 0.00 0.83 -0.50 1.51 9.65 -0.62 -0.15 114.38 125.10 1rcd h ARG 52 Ca -0.00 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.57 1rcd h ARG 52 Cb 0.92 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 1rcd h ARG 52 CO 0.06 0.86 0.11 0.93 2.80 0.00 0.00 179.97 184.73 1rcd h GLU 53 N 0.69 0.81 -0.77 0.20 5.08 -0.95 -1.65 114.58 117.98 1rcd h GLU 53 Ca 0.14 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1rcd h GLU 53 Cb 0.46 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1rcd h GLU 53 CO 0.02 0.79 0.49 0.00 -1.00 0.00 0.00 179.01 179.30 1rcd h ARG 54 N 0.69 1.04 0.02 2.33 2.47 -1.09 -1.42 114.38 118.41 1rcd h ARG 54 Ca 0.16 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1rcd h ARG 54 Cb 0.35 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1rcd h ARG 54 CO 0.00 0.71 -0.11 1.03 0.56 0.00 0.00 179.97 182.17 1rcd h SER 55 N 1.05 -0.31 -0.69 7.04 0.87 -0.67 -1.68 113.55 119.17 1rcd h SER 55 Ca 0.28 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1rcd h SER 55 Cb -0.07 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1rcd h SER 55 CO -0.06 -0.16 0.39 -0.33 -0.53 0.00 0.00 176.83 176.15 1rcd h GLU 56 N -0.20 0.97 -0.47 2.24 4.39 -1.03 -1.76 114.58 118.72 1rcd h GLU 56 Ca 0.03 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1rcd h GLU 56 Cb 0.24 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1rcd h GLU 56 CO -0.10 0.70 0.15 0.93 -1.16 0.00 0.00 179.01 179.53 1rcd h GLU 57 N 0.98 0.73 -0.67 2.33 4.39 -0.91 -0.98 114.58 120.45 1rcd h GLU 57 Ca 0.25 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1rcd h GLU 57 Cb 0.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1rcd h GLU 57 CO -0.04 0.70 0.14 0.93 -1.16 0.00 0.00 179.01 179.58 1rcd h GLU 58 N 0.63 1.08 -0.33 2.33 4.39 -1.09 -1.84 114.58 119.74 1rcd h GLU 58 Ca 0.15 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1rcd h GLU 58 Cb 0.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1rcd h GLU 58 CO -0.00 0.97 0.14 -0.22 -1.16 0.00 0.00 179.01 178.73 1rcd h LYS 59 N 1.02 0.49 -0.20 2.33 3.64 -1.09 -1.82 116.57 120.95 1rcd h LYS 59 Ca 0.21 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1rcd h LYS 59 Cb 0.39 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1rcd h LYS 59 CO 0.01 0.48 -0.14 1.05 -2.27 0.00 0.00 179.45 178.58 1rcd h GLU 60 N 0.39 0.32 -0.37 1.90 4.11 -0.97 -1.93 114.58 118.02 1rcd h GLU 60 Ca 0.11 -0.08 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1rcd h GLU 60 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1rcd h GLU 60 CO -0.01 0.46 0.08 0.45 0.07 0.00 0.00 179.01 180.06 1rcd h HIS 61 N 0.30 0.64 -0.71 2.06 3.86 -1.05 -1.21 115.15 119.04 1rcd h HIS 61 Ca 0.06 -0.08 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1rcd h HIS 61 Cb 0.43 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 1rcd h HIS 61 CO 0.01 0.64 0.42 0.00 0.86 0.00 0.00 177.93 179.86 1rcd h ALA 62 N 0.92 0.96 -0.22 2.45 0.00 -0.87 -1.07 119.26 121.44 1rcd h ALA 62 Ca 0.12 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1rcd h ALA 62 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rcd h ALA 62 CO 0.00 0.12 -0.29 0.93 0.00 0.00 0.00 179.25 180.01 1rcd h GLU 63 N 0.77 0.44 -0.10 0.00 5.08 -1.12 -2.24 114.58 117.41 1rcd h GLU 63 Ca 0.31 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1rcd h GLU 63 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1rcd h GLU 63 CO -0.17 0.69 -0.53 0.87 -1.00 0.00 0.00 179.01 178.87 1rcd h LYS 64 N 0.38 0.28 -0.38 2.33 1.57 -0.50 -1.82 116.57 118.44 1rcd h LYS 64 Ca 0.05 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1rcd h LYS 64 Cb 0.71 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1rcd h LYS 64 CO 0.05 0.75 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.34 1rcd h LEU 65 N 0.22 0.82 -0.53 2.94 3.38 -0.98 -0.25 115.31 120.91 1rcd h LEU 65 Ca 0.00 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1rcd h LEU 65 Cb 1.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1rcd h LEU 65 CO 0.09 1.04 0.20 0.40 0.09 0.00 0.00 178.44 180.25 1rcd h ILE 66 N 0.68 1.22 -0.67 1.22 2.04 -1.22 -1.02 117.51 119.77 1rcd h ILE 66 Ca 0.08 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1rcd h ILE 66 Cb 0.80 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1rcd h ILE 66 CO 0.07 0.27 0.25 -0.08 0.00 0.00 0.00 178.15 178.65 1rcd h GLU 67 N 0.72 0.99 -0.60 2.37 4.81 -1.12 -2.24 114.58 119.51 1rcd h GLU 67 Ca 0.17 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1rcd h GLU 67 Cb 0.23 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1rcd h GLU 67 CO -0.01 0.82 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.16 1rcd h TYR 68 N 0.97 1.16 -0.30 0.92 3.20 -0.60 -1.49 116.97 120.83 1rcd h TYR 68 Ca 0.22 -0.20 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1rcd h TYR 68 Cb 0.21 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1rcd h TYR 68 CO 0.02 1.03 0.08 0.37 -1.64 0.00 0.00 178.16 178.01 1rcd h GLN 69 N 0.97 0.19 -0.63 1.82 5.75 -0.75 -2.21 115.11 120.25 1rcd h GLN 69 Ca 0.17 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1rcd h GLN 69 Cb 0.57 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1rcd h GLN 69 CO 0.03 0.13 0.16 -0.91 -2.65 0.00 0.00 178.83 175.59 1rcd h ASN 70 N 0.20 0.92 -0.53 -0.69 2.35 -1.19 0.13 115.58 116.77 1rcd h ASN 70 Ca 0.14 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1rcd h ASN 70 Cb 0.13 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1rcd h ASN 70 CO -0.16 0.88 0.24 -0.61 -1.65 0.00 0.00 177.43 176.13 1rcd h GLN 71 N 0.94 0.81 -0.00 0.81 4.15 -0.79 -2.57 115.11 118.46 1rcd h GLN 71 Ca 0.20 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1rcd h GLN 71 Cb 0.32 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1rcd h GLN 71 CO -0.00 0.66 -0.16 0.54 -1.93 0.00 0.00 178.83 177.93 1rcd n ARG 72 N -4.34 0.65 -0.58 1.69 5.12 -0.88 -4.92 116.66 113.40 1rcd n ARG 72 Ca 0.05 -0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1rcd n ARG 72 Cb 0.15 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1rcd n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rcd n GLY 73 N 1.32 0.67 3.93 -0.13 0.00 -0.97 -3.94 105.19 106.07 1rcd n GLY 73 Ca 0.13 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1rcd n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rcd s GLY 74 N -2.32 1.70 -0.13 -0.02 0.00 0.01 -4.69 107.32 101.88 1rcd s GLY 74 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1rcd s GLY 74 CO 0.00 -0.57 -0.21 0.50 0.00 0.00 0.00 173.10 172.82 1rcd s ARG 75 N -5.24 3.08 0.17 2.90 1.81 -1.26 -4.28 118.95 116.13 1rcd s ARG 75 Ca 0.61 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 53.48 1rcd s ARG 75 Cb -0.10 -2.42 -0.08 0.00 -0.45 0.00 0.00 34.95 31.90 1rcd s ARG 75 CO 0.45 0.08 1.14 0.08 -0.68 0.00 0.00 175.30 176.37 1rcd s VAL 76 N 0.60 3.78 -0.16 3.52 1.01 -1.26 -4.98 120.40 122.91 1rcd s VAL 76 Ca -0.12 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 1rcd s VAL 76 Cb -0.16 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.31 1rcd s VAL 76 CO 0.03 0.24 0.01 -0.36 0.00 0.00 0.00 175.10 175.01 1rcd s PHE 77 N -0.03 1.10 -0.00 5.22 0.08 -1.26 -5.13 117.98 117.96 1rcd s PHE 77 Ca 0.52 -0.76 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 1rcd s PHE 77 Cb -0.30 -1.04 -0.06 0.00 -0.57 0.00 0.00 43.02 41.05 1rcd s PHE 77 CO 0.35 -0.55 0.40 -0.51 -0.10 0.00 0.00 175.22 174.80 1rcd s LEU 78 N 1.83 4.47 0.36 -0.37 1.43 -1.26 -4.90 118.68 120.24 1rcd s LEU 78 Ca 0.01 0.94 0.09 0.00 -1.03 0.00 0.00 54.13 54.13 1rcd s LEU 78 Cb -0.16 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 1rcd s LEU 78 CO -0.07 0.32 0.00 -1.10 0.23 0.00 0.00 176.35 175.74 1rcd s GLN 79 N -1.11 2.02 0.52 1.70 -1.52 -1.26 -5.11 119.66 114.90 1rcd s GLN 79 Ca 0.24 -1.85 -0.22 0.00 -1.95 0.00 0.00 55.36 51.57 1rcd s GLN 79 Cb -0.16 -1.84 -0.06 0.00 -0.22 0.00 0.00 33.01 30.73 1rcd s GLN 79 CO 0.13 0.08 1.31 -1.12 -0.25 0.00 0.00 175.29 175.44 1rcd s SER 80 N -3.71 5.51 -0.38 5.90 0.01 -1.26 -4.97 113.70 114.80 1rcd s SER 80 Ca 0.35 2.64 -0.14 0.00 1.31 0.00 0.00 55.95 60.11 1rcd s SER 80 Cb 0.02 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1rcd s SER 80 CO 0.19 -1.40 0.29 -0.69 0.41 0.00 0.00 173.24 172.04 1rcd s VAL 81 N -1.37 5.25 0.35 3.43 1.01 -1.26 -5.06 120.40 122.76 1rcd s VAL 81 Ca 0.69 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1rcd s VAL 81 Cb -0.37 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 1rcd s VAL 81 CO 0.44 -0.17 1.37 -0.70 0.00 0.00 0.00 175.10 176.04 1rcd s GLU 82 N 1.75 4.27 0.80 2.72 2.56 -1.26 -5.00 118.70 124.55 1rcd s GLU 82 Ca 0.06 2.33 -0.11 0.00 0.00 0.00 0.00 54.97 57.26 1rcd s GLU 82 Cb -0.18 -3.04 0.07 0.00 2.00 0.00 0.00 34.13 32.98 1rcd s GLU 82 CO 0.11 -0.30 1.09 -1.59 -0.56 0.00 0.00 175.26 174.01 1rcd s LYS 83 N -1.87 2.06 0.87 4.30 -2.85 -1.26 -4.86 119.74 116.12 1rcd s LYS 83 Ca 0.50 1.15 -0.11 0.00 -1.00 0.00 0.00 55.97 56.51 1rcd s LYS 83 Cb -0.42 -1.88 0.12 0.00 -2.06 0.00 0.00 37.83 33.59 1rcd s LYS 83 CO 0.56 -1.78 1.18 -2.14 0.10 0.00 0.00 175.35 173.27 1rcd s PRO 84 N -4.89 1.26 0.45 1.78 0.02 -1.26 -4.90 135.00 127.46 1rcd s PRO 84 Ca 0.62 1.65 0.23 0.00 0.02 0.00 0.00 61.00 63.52 1rcd s PRO 84 Cb -0.18 -1.74 1.07 0.00 0.02 0.00 0.00 34.50 33.67 1rcd s PRO 84 CO 0.56 -2.47 1.91 0.93 -0.33 0.00 0.00 177.00 177.60 1rcd h GLU 85 N -1.46 0.00 -4.56 5.54 3.07 -1.99 -3.44 114.58 111.74 1rcd h GLU 85 Ca -0.44 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.21 1rcd h GLU 85 Cb 1.28 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 29.04 1rcd h GLU 85 CO 0.43 0.23 -0.69 1.03 -1.40 0.00 0.00 179.01 178.61 1rcd s ARG 86 N -3.93 0.80 -0.01 2.33 0.52 -1.26 -5.03 118.95 112.37 1rcd s ARG 86 Ca -0.01 -1.32 0.08 0.00 -0.52 0.00 0.00 55.73 53.96 1rcd s ARG 86 Cb 0.12 -0.11 -0.12 0.00 0.52 0.00 0.00 34.95 35.36 1rcd s ARG 86 CO 0.63 -0.05 0.20 -0.25 0.02 0.00 0.00 175.30 175.86 1rcd n ASP 87 N -0.02 2.75 -4.24 0.23 8.00 -1.26 -4.94 116.55 117.06 1rcd n ASP 87 Ca -0.12 -0.09 -0.33 0.00 0.71 0.00 0.00 54.79 54.96 1rcd n ASP 87 Cb 0.61 1.33 -0.16 0.00 -0.02 0.00 0.00 41.12 42.88 1rcd n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rcd s ASP 88 N -2.80 3.42 -0.18 -2.24 -1.08 -1.26 -4.87 116.67 107.66 1rcd s ASP 88 Ca -0.02 -0.51 0.16 0.00 -0.52 0.00 0.00 52.55 51.66 1rcd s ASP 88 Cb 0.05 -1.50 0.68 0.00 -1.46 0.00 0.00 42.92 40.69 1rcd s ASP 88 CO 0.34 0.12 1.59 0.79 0.52 0.00 0.00 175.17 178.53 1rcd n TRP 89 N 3.84 1.50 0.00 -5.34 7.02 -1.26 -5.01 117.44 118.19 1rcd n TRP 89 Ca -0.19 -0.75 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 1rcd n TRP 89 Cb 0.52 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1rcd n TRP 89 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rcd n ALA 90 N 0.32 0.00 -3.83 6.99 0.00 -1.26 -3.96 120.51 118.78 1rcd n ALA 90 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 1rcd n ALA 90 Cb 1.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.45 1rcd n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rcd s ASN 91 N 0.00 -0.09 0.28 0.00 4.22 -1.26 -5.04 114.94 113.05 1rcd s ASN 91 Ca 0.00 -0.78 -0.00 0.00 -2.14 0.00 0.00 52.86 49.94 1rcd s ASN 91 Cb 0.00 0.68 0.49 0.00 1.28 0.00 0.00 41.25 43.69 1rcd s ASN 91 CO 0.00 -1.31 1.86 1.23 -2.04 0.00 0.00 177.10 176.85 1rcd h GLY 92 N 2.00 1.57 0.82 0.45 0.00 -1.99 -1.40 103.07 104.52 1rcd h GLY 92 Ca -0.27 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1rcd h GLY 92 CO 0.33 0.25 -0.20 -2.00 0.00 0.00 0.00 176.54 174.92 1rcd h LEU 93 N 1.09 0.51 -0.95 3.11 5.85 -1.97 -2.24 115.31 120.71 1rcd h LEU 93 Ca 0.46 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1rcd h LEU 93 Cb 0.32 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1rcd h LEU 93 CO -0.21 0.89 0.20 -0.08 -0.34 0.00 0.00 178.44 178.89 1rcd h GLU 94 N 0.13 0.96 -0.38 1.25 4.81 -1.79 -0.99 114.58 118.58 1rcd h GLU 94 Ca 0.03 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1rcd h GLU 94 Cb 0.75 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1rcd h GLU 94 CO 0.05 0.83 0.07 0.00 -0.73 0.00 0.00 179.01 179.23 1rcd h ALA 95 N 1.28 0.50 -0.50 2.92 0.00 -1.24 -1.03 119.26 121.18 1rcd h ALA 95 Ca 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rcd h ALA 95 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1rcd h ALA 95 CO -0.01 0.19 0.29 -0.07 0.00 0.00 0.00 179.25 179.65 1rcd h LEU 96 N 0.46 0.61 -0.97 0.00 4.07 -1.09 -0.88 115.31 117.52 1rcd h LEU 96 Ca 0.12 -0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 1rcd h LEU 96 Cb 0.34 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1rcd h LEU 96 CO 0.01 0.51 0.06 1.56 -1.08 0.00 0.00 178.44 179.50 1rcd h GLN 97 N 0.67 0.81 -0.50 1.13 4.20 -1.06 -1.49 115.11 118.87 1rcd h GLN 97 Ca 0.18 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1rcd h GLN 97 Cb 0.02 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1rcd h GLN 97 CO -0.03 0.77 -0.09 1.15 -0.67 0.00 0.00 178.83 179.96 1rcd h THR 98 N 0.77 1.27 -0.78 -0.54 2.02 -0.83 -2.35 112.91 112.46 1rcd h THR 98 Ca 0.16 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1rcd h THR 98 Cb 0.38 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1rcd h THR 98 CO 0.01 0.43 0.39 0.00 0.37 0.00 0.00 175.52 176.72 1rcd h ALA 99 N 0.90 1.01 -0.58 6.16 0.00 -0.83 0.69 119.26 126.62 1rcd h ALA 99 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rcd h ALA 99 Cb 0.64 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1rcd h ALA 99 CO 0.04 0.56 0.33 1.25 0.00 0.00 0.00 179.25 181.44 1rcd h LEU 100 N 1.10 0.71 -0.73 0.00 5.85 -1.10 0.27 115.31 121.42 1rcd h LEU 100 Ca 0.27 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1rcd h LEU 100 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1rcd h LEU 100 CO -0.04 0.58 0.27 0.11 -0.34 0.00 0.00 178.44 179.02 1rcd h LYS 101 N 0.78 1.11 -0.20 1.25 1.57 -0.99 -1.38 116.57 118.72 1rcd h LYS 101 Ca 0.21 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1rcd h LYS 101 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1rcd h LYS 101 CO -0.04 0.93 0.05 1.25 -0.57 0.00 0.00 179.45 181.07 1rcd h LEU 102 N 1.07 0.29 -1.27 2.94 5.85 -0.19 -2.38 115.31 121.62 1rcd h LEU 102 Ca 0.24 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rcd h LEU 102 Cb 0.25 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1rcd h LEU 102 CO -0.01 0.44 0.46 1.56 -0.34 0.00 0.00 178.44 180.54 1rcd h GLN 103 N 0.13 0.95 -0.03 1.25 1.08 -0.27 -1.51 115.11 116.70 1rcd h GLN 103 Ca 0.06 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1rcd h GLN 103 Cb 0.26 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1rcd h GLN 103 CO -0.00 0.64 -0.58 0.87 -0.95 0.00 0.00 178.83 178.81 1rcd h LYS 104 N 0.97 0.09 -0.07 1.46 1.57 -1.10 -0.47 116.57 119.03 1rcd h LYS 104 Ca 0.26 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.79 1rcd h LYS 104 Cb -0.09 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1rcd h LYS 104 CO -0.05 0.65 -0.76 0.66 -0.57 0.00 0.00 179.45 179.37 1rcd h SER 105 N 0.07 0.52 -0.13 0.86 4.64 -0.86 -1.09 113.55 117.56 1rcd h SER 105 Ca -0.00 -0.35 -0.17 0.00 -0.47 0.00 0.00 61.79 60.79 1rcd h SER 105 Cb 1.04 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1rcd h SER 105 CO 0.08 1.10 -0.55 0.58 -0.87 0.00 0.00 176.83 177.17 1rcd h VAL 106 N 0.29 1.30 -0.47 0.95 2.07 -1.18 -2.07 116.25 117.14 1rcd h VAL 106 Ca -0.04 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 1rcd h VAL 106 Cb 1.35 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1rcd h VAL 106 CO 0.13 0.56 0.24 -1.13 0.02 0.00 0.00 177.57 177.40 1rcd h ASN 107 N 0.55 0.59 -0.95 0.57 -1.24 -0.92 -1.12 115.58 113.07 1rcd h ASN 107 Ca 0.01 -0.11 0.01 0.00 0.71 0.00 0.00 56.30 56.92 1rcd h ASN 107 Cb 1.13 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.98 1rcd h ASN 107 CO 0.11 0.53 0.61 -0.61 -1.29 0.00 0.00 177.43 176.79 1rcd h GLN 108 N 0.61 1.26 -0.70 6.67 5.75 -1.07 0.05 115.11 127.69 1rcd h GLN 108 Ca 0.16 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1rcd h GLN 108 Cb 0.08 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 1rcd h GLN 108 CO -0.02 0.85 0.31 0.00 -2.65 0.00 0.00 178.83 177.32 1rcd h ALA 109 N 1.34 0.90 -0.41 3.38 0.00 -0.82 0.26 119.26 123.91 1rcd h ALA 109 Ca 0.35 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1rcd h ALA 109 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1rcd h ALA 109 CO -0.07 0.49 -0.14 -0.07 0.00 0.00 0.00 179.25 179.45 1rcd h LEU 110 N 0.98 0.76 -0.56 0.00 3.38 -0.49 -0.90 115.31 118.48 1rcd h LEU 110 Ca 0.24 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1rcd h LEU 110 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1rcd h LEU 110 CO -0.03 0.91 -0.07 -0.07 0.09 0.00 0.00 178.44 179.27 1rcd h LEU 111 N 0.68 1.03 -0.58 1.67 3.38 -0.62 -0.38 115.31 120.50 1rcd h LEU 111 Ca 0.11 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1rcd h LEU 111 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1rcd h LEU 111 CO 0.04 1.12 0.07 0.44 0.09 0.00 0.00 178.44 180.21 1rcd h ASP 112 N 0.92 0.94 -0.52 -0.43 3.32 -0.68 -0.65 116.42 119.32 1rcd h ASP 112 Ca 0.15 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1rcd h ASP 112 Cb 0.64 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1rcd h ASP 112 CO 0.04 0.97 0.10 0.25 -1.72 0.00 0.00 179.24 178.89 1rcd h LEU 113 N 0.87 0.81 -0.88 1.55 5.85 -1.01 -2.06 115.31 120.43 1rcd h LEU 113 Ca 0.17 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1rcd h LEU 113 Cb 0.45 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1rcd h LEU 113 CO 0.02 0.85 0.58 -0.74 -0.34 0.00 0.00 178.44 178.80 1rcd h HIS 114 N 0.73 1.09 -0.50 1.25 2.76 -0.79 -1.47 115.15 118.22 1rcd h HIS 114 Ca 0.16 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1rcd h HIS 114 Cb 0.37 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1rcd h HIS 114 CO 0.03 0.66 0.12 0.00 -1.30 0.00 0.00 177.93 177.43 1rcd h ALA 115 N 1.35 1.28 -0.31 5.26 0.00 -0.72 -0.76 119.26 125.36 1rcd h ALA 115 Ca 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1rcd h ALA 115 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rcd h ALA 115 CO -0.10 0.50 0.01 0.28 0.00 0.00 0.00 179.25 179.95 1rcd h VAL 116 N 0.73 1.25 -0.90 0.00 2.07 -0.65 -0.95 116.25 117.81 1rcd h VAL 116 Ca 0.16 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1rcd h VAL 116 Cb 0.27 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1rcd h VAL 116 CO -0.00 0.30 0.50 0.00 0.02 0.00 0.00 177.57 178.38 1rcd h ALA 117 N 0.85 1.19 -0.37 1.67 0.00 -0.98 -0.92 119.26 120.70 1rcd h ALA 117 Ca 0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1rcd h ALA 117 Cb 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rcd h ALA 117 CO 0.01 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 1rcd h ALA 118 N 1.29 0.50 -0.72 0.00 0.00 -1.03 -0.06 119.26 119.25 1rcd h ALA 118 Ca 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rcd h ALA 118 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1rcd h ALA 118 CO -0.05 0.29 0.38 0.22 0.00 0.00 0.00 179.25 180.09 1rcd h ASP 119 N 0.48 0.89 -0.11 0.00 3.58 -0.77 -1.48 116.42 119.01 1rcd h ASP 119 Ca 0.10 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1rcd h ASP 119 Cb 0.49 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1rcd h ASP 119 CO 0.02 0.72 0.00 0.29 -2.88 0.00 0.00 179.24 177.40 1rcd n LYS 120 N -4.36 1.49 -3.45 0.28 4.76 -0.39 -4.94 118.16 111.55 1rcd n LYS 120 Ca 0.07 -0.73 -0.19 0.00 -2.87 0.00 0.00 58.31 54.60 1rcd n LYS 120 Cb 0.11 -1.35 0.07 0.00 -1.84 0.00 0.00 35.03 32.01 1rcd n LYS 120 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1rcd n SER 121 N -0.04 -3.59 -4.02 4.39 7.64 -0.56 -4.97 113.62 112.47 1rcd n SER 121 Ca 0.15 -0.72 -0.33 0.00 1.01 0.00 0.00 58.87 58.98 1rcd n SER 121 Cb 0.24 -4.78 -0.12 0.00 -1.01 0.00 0.00 64.21 58.54 1rcd n SER 121 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1rcd s ASP 122 N -3.98 4.82 0.48 6.43 -1.08 -0.11 -4.94 116.67 118.29 1rcd s ASP 122 Ca 0.19 -3.04 0.25 0.00 -0.52 0.00 0.00 52.55 49.42 1rcd s ASP 122 Cb -0.03 -1.75 1.17 0.00 -1.46 0.00 0.00 42.92 40.85 1rcd s ASP 122 CO 0.76 -0.28 1.95 1.55 0.52 0.00 0.00 175.17 179.67 1rcd h PRO 123 N 6.62 0.00 -0.41 4.34 0.13 -1.93 -2.54 132.00 138.21 1rcd h PRO 123 Ca -0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 1rcd h PRO 123 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1rcd h PRO 123 CO 0.71 0.19 -0.04 1.25 -0.23 0.00 0.00 178.00 179.88 1rcd h HIS 124 N 0.00 0.83 -0.24 1.56 2.76 -1.97 -2.28 115.15 115.81 1rcd h HIS 124 Ca -0.00 -0.16 -0.20 0.00 -2.20 0.00 0.00 60.37 57.81 1rcd h HIS 124 Cb 0.54 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1rcd h HIS 124 CO 0.00 0.84 -0.64 1.98 -1.30 0.00 0.00 177.93 178.82 1rcd h MET 125 N 0.57 0.86 -0.78 5.26 1.85 -1.91 -1.59 114.93 119.19 1rcd h MET 125 Ca 0.11 -0.60 -0.05 0.00 -0.61 0.00 0.00 59.70 58.56 1rcd h MET 125 Cb 0.54 0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.63 1rcd h MET 125 CO 0.03 1.22 0.30 1.79 -0.40 0.00 0.00 176.91 179.85 1rcd h THR 126 N 0.63 1.26 -0.33 -0.77 1.35 -1.49 -0.85 112.91 112.71 1rcd h THR 126 Ca -0.01 -0.83 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1rcd h THR 126 Cb 1.25 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1rcd h THR 126 CO 0.14 0.34 0.16 -0.78 -0.25 0.00 0.00 175.52 175.13 1rcd h ASP 127 N 1.13 0.42 -0.83 5.36 3.58 -1.36 -1.59 116.42 123.14 1rcd h ASP 127 Ca 0.26 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1rcd h ASP 127 Cb 0.23 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1rcd h ASP 127 CO -0.02 0.42 0.54 0.15 -2.88 0.00 0.00 179.24 177.44 1rcd h PHE 128 N 0.40 1.01 -0.10 0.28 3.57 -0.89 -2.67 116.94 118.54 1rcd h PHE 128 Ca 0.11 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 1rcd h PHE 128 Cb 0.10 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1rcd h PHE 128 CO -0.02 0.59 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.02 1rcd h LEU 129 N 1.05 0.34 -0.38 0.59 4.07 -0.98 -3.31 115.31 116.70 1rcd h LEU 129 Ca 0.33 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1rcd h LEU 129 Cb -0.02 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1rcd h LEU 129 CO -0.11 0.83 0.13 -0.33 -1.08 0.00 0.00 178.44 177.88 1rcd h GLU 130 N 0.24 0.58 -4.04 1.13 5.08 -0.93 -1.32 114.58 115.31 1rcd h GLU 130 Ca 0.00 -0.12 -0.43 0.00 -1.00 0.00 0.00 59.36 57.82 1rcd h GLU 130 Cb 1.05 -0.09 -0.34 0.00 0.50 0.00 0.00 28.75 29.87 1rcd h GLU 130 CO 0.09 0.58 -0.78 -1.12 -1.00 0.00 0.00 179.01 176.78 1rcd s SER 131 N -5.88 1.14 0.00 1.42 0.01 -1.17 -2.46 113.70 106.77 1rcd s SER 131 Ca -0.13 -0.15 0.25 0.00 1.31 0.00 0.00 55.95 57.23 1rcd s SER 131 Cb 0.10 -0.50 0.50 0.00 0.21 0.00 0.00 66.02 66.33 1rcd s SER 131 CO 0.75 -0.06 1.44 -0.81 0.41 0.00 0.00 173.24 174.97 1rcd n PRO 132 N 4.18 2.12 0.30 12.44 -0.04 -1.26 -4.69 135.00 148.06 1rcd n PRO 132 Ca -0.22 -1.64 -0.18 0.00 -0.04 0.00 0.00 63.50 61.42 1rcd n PRO 132 Cb 0.51 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1rcd n PRO 132 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1rcd h TYR 133 N 3.84 -1.23 -0.53 0.54 0.05 -1.71 0.65 116.97 118.58 1rcd h TYR 133 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1rcd h TYR 133 Cb 0.82 0.47 -0.02 0.00 1.01 0.00 0.00 36.73 39.01 1rcd h TYR 133 CO 0.04 -0.63 -0.03 -0.07 -1.05 0.00 0.00 178.16 176.42 1rcd h LEU 134 N -0.96 0.91 -0.41 3.88 4.07 -1.19 -2.39 115.31 119.21 1rcd h LEU 134 Ca -0.06 -0.26 -0.06 0.00 0.08 0.00 0.00 57.88 57.58 1rcd h LEU 134 Cb 0.83 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 1rcd h LEU 134 CO -0.03 0.99 0.03 0.77 -1.08 0.00 0.00 178.44 179.13 1rcd h SER 135 N 0.85 0.69 -0.37 -0.43 4.64 -1.37 -2.77 113.55 114.79 1rcd h SER 135 Ca 0.15 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 1rcd h SER 135 Cb 0.55 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1rcd h SER 135 CO 0.03 0.81 0.01 1.05 -0.87 0.00 0.00 176.83 177.86 1rcd h GLU 136 N 0.55 0.74 0.10 4.77 -0.00 -0.81 -2.33 114.58 117.59 1rcd h GLU 136 Ca 0.12 -0.18 0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1rcd h GLU 136 Cb 0.43 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.08 1rcd h GLU 136 CO 0.02 0.74 -0.11 0.77 -0.00 0.00 0.00 179.01 180.43 1rcd h SER 137 N 0.70 -0.29 0.26 3.06 0.02 -1.25 -0.05 113.55 116.00 1rcd h SER 137 Ca 0.14 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1rcd h SER 137 Cb 0.41 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1rcd h SER 137 CO 0.02 -0.17 -0.36 -0.37 -1.14 0.00 0.00 176.83 174.81 1rcd h VAL 138 N -0.23 1.28 -0.44 2.27 -1.51 -1.35 0.55 116.25 116.82 1rcd h VAL 138 Ca 0.01 -1.35 -0.06 0.00 -1.23 0.00 0.00 66.70 64.06 1rcd h VAL 138 Cb 0.23 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1rcd h VAL 138 CO -0.04 0.40 0.03 -0.33 -1.23 0.00 0.00 177.57 176.40 1rcd h GLU 139 N 0.13 0.76 -0.47 5.19 5.08 -1.18 -1.15 114.58 122.95 1rcd h GLU 139 Ca 0.01 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 1rcd h GLU 139 Cb 0.71 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1rcd h GLU 139 CO 0.05 0.81 -0.18 1.15 -1.00 0.00 0.00 179.01 179.84 1rcd h THR 140 N 0.61 1.27 -0.47 1.13 2.02 -0.61 -1.52 112.91 115.34 1rcd h THR 140 Ca 0.13 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1rcd h THR 140 Cb 0.45 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1rcd h THR 140 CO 0.02 0.46 0.27 0.40 0.37 0.00 0.00 175.52 177.04 1rcd h ILE 141 N 0.80 1.16 -0.54 3.11 2.04 -0.73 0.21 117.51 123.56 1rcd h ILE 141 Ca 0.11 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1rcd h ILE 141 Cb 0.76 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1rcd h ILE 141 CO 0.06 0.16 0.24 0.50 0.00 0.00 0.00 178.15 179.11 1rcd h LYS 142 N 0.62 0.79 -0.36 2.37 1.63 -1.08 -0.74 116.57 119.81 1rcd h LYS 142 Ca 0.17 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1rcd h LYS 142 Cb 0.02 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1rcd h LYS 142 CO -0.03 0.68 0.23 -0.22 -3.45 0.00 0.00 179.45 176.65 1rcd h LYS 143 N 0.73 0.48 -0.70 1.90 3.64 -0.88 -1.15 116.57 120.59 1rcd h LYS 143 Ca 0.18 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1rcd h LYS 143 Cb 0.16 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1rcd h LYS 143 CO -0.02 0.34 0.16 -0.07 -2.27 0.00 0.00 179.45 177.59 1rcd h LEU 144 N 0.47 1.06 -0.56 5.20 3.38 -0.72 -1.09 115.31 123.06 1rcd h LEU 144 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1rcd h LEU 144 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1rcd h LEU 144 CO -0.03 1.02 0.30 1.23 0.09 0.00 0.00 178.44 181.05 1rcd h GLY 145 N 1.08 0.85 0.99 0.83 0.00 -0.90 -0.36 103.07 105.56 1rcd h GLY 145 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1rcd h GLY 145 CO 0.00 0.38 0.12 -0.55 0.00 0.00 0.00 176.54 176.49 1rcd h ASP 146 N 0.76 0.21 -0.45 0.19 3.32 -0.93 -1.74 116.42 117.78 1rcd h ASP 146 Ca 0.20 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.26 1rcd h ASP 146 Cb 0.07 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1rcd h ASP 146 CO -0.03 0.17 0.23 0.45 -1.72 0.00 0.00 179.24 178.34 1rcd h HIS 147 N 0.24 0.43 -0.46 4.55 3.86 -0.89 -1.61 115.15 121.27 1rcd h HIS 147 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1rcd h HIS 147 Cb -0.01 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1rcd h HIS 147 CO -0.06 0.23 0.30 0.82 0.86 0.00 0.00 177.93 180.07 1rcd h ILE 148 N 0.47 1.13 -0.26 2.45 2.04 -0.91 -0.99 117.51 121.44 1rcd h ILE 148 Ca 0.19 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1rcd h ILE 148 Cb 0.08 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1rcd h ILE 148 CO -0.12 0.12 0.11 0.74 0.00 0.00 0.00 178.15 179.01 1rcd h THR 149 N 0.62 0.97 -0.27 -0.27 2.02 -0.91 -0.32 112.91 114.76 1rcd h THR 149 Ca 0.17 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1rcd h THR 149 Cb -0.05 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1rcd h THR 149 CO -0.03 0.05 0.14 0.28 0.37 0.00 0.00 175.52 176.32 1rcd h SER 150 N 0.25 0.34 -0.57 4.18 0.02 -1.10 -2.07 113.55 114.60 1rcd h SER 150 Ca 0.11 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1rcd h SER 150 Cb 0.05 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1rcd h SER 150 CO -0.09 0.35 0.16 0.25 -1.14 0.00 0.00 176.83 176.36 1rcd h LEU 151 N 0.31 0.88 -1.00 5.07 5.85 -1.02 -2.50 115.31 122.90 1rcd h LEU 151 Ca 0.09 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1rcd h LEU 151 Cb 0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1rcd h LEU 151 CO -0.01 0.84 0.26 0.11 -0.34 0.00 0.00 178.44 179.30 1rcd h LYS 152 N 0.90 0.98 -0.42 1.25 1.57 -0.81 0.14 116.57 120.18 1rcd h LYS 152 Ca 0.20 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1rcd h LYS 152 Cb 0.30 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1rcd h LYS 152 CO -0.00 0.80 0.24 0.87 -0.57 0.00 0.00 179.45 180.79 1rcd h LYS 153 N 0.96 0.48 -0.28 3.15 1.57 -0.94 -2.79 116.57 118.71 1rcd h LYS 153 Ca 0.22 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 1rcd h LYS 153 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1rcd h LYS 153 CO -0.02 0.32 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.66 1rcd h LEU 154 N 0.49 0.79 -0.91 2.94 3.38 -1.16 -3.27 115.31 117.57 1rcd h LEU 154 Ca 0.17 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 57.89 1rcd h LEU 154 Cb 0.02 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.46 1rcd h LEU 154 CO -0.08 1.12 0.53 -0.25 0.09 0.00 0.00 178.44 179.84 1rcd h TRP 155 N 0.59 0.94 -0.04 1.13 2.91 -0.48 -1.47 115.95 119.54 1rcd h TRP 155 Ca 0.04 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.10 1rcd h TRP 155 Cb 1.00 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.37 1rcd h TRP 155 CO 0.05 0.31 0.07 0.66 -1.03 0.00 0.00 178.44 178.50 1rcd h SER 156 N 0.80 0.00 0.00 2.65 4.64 -1.56 -3.16 113.55 116.92 1rcd h SER 156 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1rcd h SER 156 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1rcd h SER 156 CO -0.31 0.00 -0.15 0.28 -0.87 0.00 0.00 176.83 175.79 1rcd h SER 157 N 0.00 0.00 -2.34 4.97 0.02 -1.45 -3.48 113.55 111.27 1rcd h SER 157 Ca 0.02 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1rcd h SER 157 Cb 0.15 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.44 1rcd h SER 157 CO -0.00 0.28 -0.31 -1.00 -1.14 0.00 0.00 176.83 174.65 1rcd s HIS 158 N -1.42 -0.95 0.26 3.45 0.09 -1.09 -5.05 115.29 110.58 1rcd s HIS 158 Ca -0.04 1.70 -0.03 0.00 -0.00 0.00 0.00 55.06 56.69 1rcd s HIS 158 Cb 0.01 0.42 0.33 0.00 -0.00 0.00 0.00 32.58 33.34 1rcd s HIS 158 CO 0.06 -0.54 1.80 -1.35 -0.00 0.00 0.00 174.74 174.71 1rcd h PRO 159 N 8.13 0.90 0.20 8.40 0.11 -1.80 0.27 132.00 148.21 1rcd h PRO 159 Ca -0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1rcd h PRO 159 Cb 1.11 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1rcd h PRO 159 CO 0.12 0.81 -0.10 0.78 -0.21 0.00 0.00 178.00 179.40 1rcd h GLY 160 N 1.00 -0.29 1.63 -0.55 0.00 -1.96 -1.88 103.07 101.03 1rcd h GLY 160 Ca 0.19 0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.52 1rcd h GLY 160 CO 0.00 -0.10 -0.33 1.98 0.00 0.00 0.00 176.54 178.08 1rcd h MET 161 N -0.35 0.42 0.13 4.80 -1.53 -1.93 -2.85 114.93 113.62 1rcd h MET 161 Ca -0.03 -0.18 0.01 0.00 -3.44 0.00 0.00 59.70 56.07 1rcd h MET 161 Cb 0.27 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.28 1rcd h MET 161 CO 0.05 0.70 -0.23 0.00 0.14 0.00 0.00 176.91 177.57 1rcd h ALA 162 N 1.29 -0.40 -0.66 0.39 0.00 -0.22 0.08 119.26 119.74 1rcd h ALA 162 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1rcd h ALA 162 Cb 0.76 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1rcd h ALA 162 CO 0.06 -0.77 0.29 0.93 0.00 0.00 0.00 179.25 179.76 1rcd h GLU 163 N -0.44 0.97 0.06 0.00 5.08 -1.33 -0.94 114.58 117.98 1rcd h GLU 163 Ca 0.02 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1rcd h GLU 163 Cb 0.45 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1rcd h GLU 163 CO -0.12 0.79 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.73 1rcd h TYR 164 N 0.92 -0.07 -0.56 4.33 3.20 -1.25 -0.74 116.97 122.80 1rcd h TYR 164 Ca 0.22 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1rcd h TYR 164 Cb 0.16 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1rcd h TYR 164 CO 0.01 0.01 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.47 1rcd h LEU 165 N -0.14 0.97 -0.43 2.82 3.38 -0.92 -2.62 115.31 118.37 1rcd h LEU 165 Ca -0.01 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1rcd h LEU 165 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1rcd h LEU 165 CO 0.01 1.04 0.02 0.15 0.09 0.00 0.00 178.44 179.75 1rcd h PHE 166 N 0.87 0.81 -0.95 1.13 3.57 -1.15 0.20 116.94 121.41 1rcd h PHE 166 Ca 0.16 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1rcd h PHE 166 Cb 0.54 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1rcd h PHE 166 CO 0.04 0.80 0.61 -0.97 -2.23 0.00 0.00 178.31 176.56 1rcd h ASN 167 N 0.60 0.92 0.00 0.41 -0.73 -1.07 -0.73 115.58 114.98 1rcd h ASN 167 Ca 0.13 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 1rcd h ASN 167 Cb 0.46 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 1rcd h ASN 167 CO 0.02 0.56 -0.13 0.50 -0.37 0.00 0.00 177.43 178.00 1rcd h LYS 168 N 1.03 0.00 0.01 6.67 1.63 -1.16 -2.65 116.57 122.11 1rcd h LYS 168 Ca 0.43 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.97 1rcd h LYS 168 Cb 0.30 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1rcd h LYS 168 CO -0.19 0.89 -1.40 0.45 -3.45 0.00 0.00 179.45 175.76 1rcd h HIS 169 N -1.00 0.06 0.00 1.91 3.86 -0.56 -2.97 115.15 116.44 1rcd h HIS 169 Ca -0.04 -0.04 -0.43 0.00 -1.16 0.00 0.00 60.37 58.70 1rcd h HIS 169 Cb 0.93 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.33 1rcd h HIS 169 CO 0.23 1.05 -2.44 2.41 0.86 0.00 0.00 177.93 180.04 1rcd n THR 170 N -3.22 1.53 1.05 2.45 -1.04 -0.34 -4.56 114.28 110.15 1rcd n THR 170 Ca -0.10 -0.42 0.13 0.00 -2.04 0.00 0.00 64.05 61.62 1rcd n THR 170 Cb 1.00 -1.77 0.36 0.00 -1.82 0.00 0.00 70.33 68.10 1rcd n THR 170 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1rcd n LEU 171 N -3.99 0.46 -0.84 -4.42 4.32 -0.85 -5.06 117.00 106.62 1rcd n LEU 171 Ca -0.51 0.07 0.13 0.00 -0.02 0.00 0.00 56.01 55.67 1rcd n LEU 171 Cb 0.91 -0.28 0.21 0.00 -1.62 0.00 0.00 43.42 42.64 1rcd n LEU 171 CO 0.11 0.11 0.69 0.61 -1.22 0.00 0.00 177.39 177.69