#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpu s VAL 2 N 0.00 4.87 0.45 3.15 1.01 -1.26 -0.78 120.40 127.83 2bpu s VAL 2 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2bpu s VAL 2 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2bpu s VAL 2 CO 0.00 -0.19 0.98 -0.36 0.00 0.00 0.00 175.10 175.52 2bpu s PHE 3 N 1.62 3.22 0.67 5.22 0.08 -0.29 -5.00 117.98 123.51 2bpu s PHE 3 Ca 0.04 1.60 -0.11 0.00 0.12 0.00 0.00 56.93 58.58 2bpu s PHE 3 Cb -0.19 -2.91 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 2bpu s PHE 3 CO 0.08 -0.32 1.05 0.20 -0.10 0.00 0.00 175.22 176.13 2bpu s GLY 4 N -2.15 1.66 0.10 4.36 0.00 -1.26 -4.84 107.32 105.20 2bpu s GLY 4 Ca 0.63 0.03 -0.35 0.00 0.00 0.00 0.00 44.72 45.03 2bpu s GLY 4 CO 0.15 0.32 1.57 -0.09 0.00 0.00 0.00 173.10 175.05 2bpu h ARG 5 N -0.60 -0.84 -0.03 2.90 2.43 -1.97 0.45 114.38 116.72 2bpu h ARG 5 Ca -0.44 0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.68 2bpu h ARG 5 Cb 1.20 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2bpu h ARG 5 CO 0.58 -0.56 -0.48 0.00 -1.51 0.00 0.00 179.97 178.01 2bpu h GLU 7 N 0.07 0.57 -0.46 0.00 4.81 -1.91 -0.72 114.58 116.94 2bpu h GLU 7 Ca 0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2bpu h GLU 7 Cb 0.87 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2bpu h GLU 7 CO 0.07 0.39 -0.14 1.25 -0.73 0.00 0.00 179.01 179.84 2bpu h LEU 8 N 0.58 0.92 -0.51 1.64 5.85 -0.66 -1.70 115.31 121.44 2bpu h LEU 8 Ca 0.16 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.56 2bpu h LEU 8 Cb -0.06 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 2bpu h LEU 8 CO -0.03 1.09 0.22 0.00 -0.34 0.00 0.00 178.44 179.37 2bpu h ALA 9 N 0.87 0.64 -0.66 1.25 0.00 -1.00 -0.01 119.26 120.34 2bpu h ALA 9 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2bpu h ALA 9 Cb 0.70 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2bpu h ALA 9 CO 0.05 -0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.33 2bpu h ALA 10 N 1.31 0.87 -0.56 0.00 0.00 -0.96 -0.72 119.26 119.20 2bpu h ALA 10 Ca 0.24 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2bpu h ALA 10 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2bpu h ALA 10 CO -0.21 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 2bpu h ALA 11 N 1.08 0.77 -0.51 0.00 0.00 -0.91 -1.03 119.26 118.66 2bpu h ALA 11 Ca 0.21 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2bpu h ALA 11 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2bpu h ALA 11 CO -0.00 0.66 0.14 0.52 0.00 0.00 0.00 179.25 180.56 2bpu h MET 12 N 0.93 0.80 -0.34 0.00 2.86 -0.74 -2.11 114.93 116.33 2bpu h MET 12 Ca 0.15 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2bpu h MET 12 Cb 0.65 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2bpu h MET 12 CO 0.04 0.76 0.21 -0.22 1.06 0.00 0.00 176.91 178.77 2bpu h LYS 13 N 0.69 0.42 -0.66 1.72 3.64 -0.99 -1.47 116.57 119.93 2bpu h LYS 13 Ca 0.16 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 2bpu h LYS 13 Cb 0.31 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2bpu h LYS 13 CO -0.00 0.28 0.43 -0.09 -2.27 0.00 0.00 179.45 177.80 2bpu h ARG 14 N 0.43 0.64 -0.52 1.90 2.43 -0.94 -1.03 114.38 117.29 2bpu h ARG 14 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2bpu h ARG 14 Cb -0.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2bpu h ARG 14 CO -0.05 0.42 0.00 0.72 -1.51 0.00 0.00 179.97 179.55 2bpu n HIS 15 N -4.48 0.56 -1.20 2.20 8.25 -0.81 -4.91 115.22 114.82 2bpu n HIS 15 Ca 0.09 -0.23 -0.03 0.00 -0.26 0.00 0.00 57.72 57.29 2bpu n HIS 15 Cb 0.23 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 2bpu n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bpu n GLY 16 N 0.65 0.60 0.14 -1.41 0.00 -0.39 -4.93 105.19 99.85 2bpu n GLY 16 Ca 0.10 -0.91 0.06 0.00 0.00 0.00 0.00 46.02 45.28 2bpu n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bpu h LEU 17 N 0.00 0.00 -9.22 0.99 5.85 -1.46 -3.40 115.31 108.06 2bpu h LEU 17 Ca -0.07 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.10 2bpu h LEU 17 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2bpu h LEU 17 CO 0.10 0.28 1.25 1.51 -0.34 0.00 0.00 178.44 181.23 2bpu s ASP 18 N -5.96 6.27 -0.77 1.25 -4.77 -1.26 -1.49 116.67 109.95 2bpu s ASP 18 Ca 0.02 2.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.58 2bpu s ASP 18 Cb 0.08 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 2bpu s ASP 18 CO 0.76 -1.24 0.00 -3.20 0.70 0.00 0.00 175.17 172.18 2bpu n ASN 19 N 8.43 -4.58 -4.71 2.11 4.05 -0.20 -4.89 115.26 115.48 2bpu n ASN 19 Ca 0.21 0.18 -0.42 0.00 0.45 0.00 0.00 54.58 55.00 2bpu n ASN 19 Cb 0.43 -2.72 -0.03 0.00 1.23 0.00 0.00 39.78 38.69 2bpu n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2bpu s TYR 20 N -2.03 2.87 -1.03 1.20 5.04 -0.55 -1.13 117.35 121.71 2bpu s TYR 20 Ca 0.00 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.23 2bpu s TYR 20 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 2bpu s TYR 20 CO 0.00 -3.30 0.00 0.54 -1.34 0.00 0.00 175.55 171.45 2bpu n ARG 21 N 4.62 -2.22 -0.77 4.97 5.12 -1.26 -1.71 116.66 125.42 2bpu n ARG 21 Ca 0.14 0.59 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 2bpu n ARG 21 Cb 0.40 -5.17 0.00 0.00 -1.16 0.00 0.00 32.46 26.53 2bpu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bpu n GLY 22 N -0.78 0.69 3.45 -0.13 0.00 -0.28 -5.02 105.19 103.13 2bpu n GLY 22 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2bpu n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bpu s TYR 23 N -2.45 3.23 0.84 1.61 2.02 -0.70 -4.90 117.35 117.01 2bpu s TYR 23 Ca 0.00 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 55.97 2bpu s TYR 23 Cb 0.00 -2.72 0.08 0.00 -0.40 0.00 0.00 41.96 38.92 2bpu s TYR 23 CO 0.00 -0.64 1.00 -1.13 -1.57 0.00 0.00 175.55 173.21 2bpu n SER 24 N 5.24 0.19 -0.34 2.29 3.41 -1.26 -1.03 113.62 122.12 2bpu n SER 24 Ca -0.11 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 2bpu n SER 24 Cb 0.47 -1.43 0.28 0.00 -0.26 0.00 0.00 64.21 63.27 2bpu n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2bpu h LEU 25 N -1.15 0.73 -1.50 1.04 5.85 -1.90 -0.64 115.31 117.74 2bpu h LEU 25 Ca -0.45 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.42 2bpu h LEU 25 Cb 1.30 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 2bpu h LEU 25 CO 0.43 0.30 0.42 1.23 -0.34 0.00 0.00 178.44 180.47 2bpu h GLY 26 N 0.76 0.77 0.99 3.75 0.00 -1.91 -1.31 103.07 106.12 2bpu h GLY 26 Ca 0.53 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.63 2bpu h GLY 26 CO -0.36 0.18 0.37 3.43 0.00 0.00 0.00 176.54 180.16 2bpu h ASN 27 N 0.60 0.64 -0.35 0.19 2.35 -1.33 -0.47 115.58 117.20 2bpu h ASN 27 Ca 0.28 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 2bpu h ASN 27 Cb 0.32 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2bpu h ASN 27 CO -0.08 0.46 -0.25 -0.50 -1.65 0.00 0.00 177.43 175.40 2bpu h TRP 28 N 0.76 0.93 -0.37 1.19 4.06 -1.30 -1.35 115.95 119.86 2bpu h TRP 28 Ca 0.21 -0.26 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2bpu h TRP 28 Cb -0.08 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 2bpu h TRP 28 CO -0.04 1.02 0.12 0.28 -3.56 0.00 0.00 178.44 176.27 2bpu h VAL 29 N 0.58 1.21 -0.59 1.49 2.07 -1.22 -1.16 116.25 118.63 2bpu h VAL 29 Ca 0.07 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2bpu h VAL 29 Cb 0.82 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2bpu h VAL 29 CO 0.07 0.23 0.37 0.00 0.02 0.00 0.00 177.57 178.26 2bpu h ALA 31 N 1.24 0.22 -0.78 0.00 0.00 -1.09 -2.43 119.26 116.43 2bpu h ALA 31 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2bpu h ALA 31 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2bpu h ALA 31 CO -0.08 -0.34 0.32 0.00 0.00 0.00 0.00 179.25 179.15 2bpu h ALA 32 N 1.11 1.09 -0.05 0.00 0.00 -0.76 0.36 119.26 121.02 2bpu h ALA 32 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bpu h ALA 32 Cb 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 2bpu h ALA 32 CO -0.07 0.65 -0.23 -0.22 0.00 0.00 0.00 179.25 179.38 2bpu h LYS 33 N 1.13 -0.32 0.00 0.00 1.63 -0.56 -1.22 116.57 117.23 2bpu h LYS 33 Ca 0.26 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 2bpu h LYS 33 Cb 0.20 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2bpu h LYS 33 CO -0.02 -0.22 -0.37 0.74 -3.45 0.00 0.00 179.45 176.13 2bpu h PHE 34 N -0.34 0.00 0.04 1.91 0.04 -1.23 0.40 116.94 117.76 2bpu h PHE 34 Ca 0.08 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.63 2bpu h PHE 34 Cb 0.44 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.61 2bpu h PHE 34 CO -0.30 0.16 -0.89 0.93 -0.60 0.00 0.00 178.31 177.62 2bpu h GLU 35 N 0.00 0.52 0.00 1.51 4.39 -0.84 -3.42 114.58 116.74 2bpu h GLU 35 Ca -0.01 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2bpu h GLU 35 Cb 1.13 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2bpu h GLU 35 CO 0.02 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 2bpu n SER 36 N -4.02 0.19 -3.02 1.42 3.41 -0.48 -4.83 113.62 106.29 2bpu n SER 36 Ca -0.12 -0.74 -0.21 0.00 -0.26 0.00 0.00 58.87 57.55 2bpu n SER 36 Cb 0.82 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.86 2bpu n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2bpu n ASN 37 N -0.08 -4.66 -0.79 4.04 5.15 0.13 -2.07 115.26 116.98 2bpu n ASN 37 Ca 0.00 -0.22 -0.10 0.00 -0.60 0.00 0.00 54.58 53.65 2bpu n ASN 37 Cb 0.13 -3.83 -0.04 0.00 -0.53 0.00 0.00 39.78 35.50 2bpu n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2bpu n PHE 38 N -4.02 0.00 -3.52 1.20 3.72 -1.21 -4.82 117.46 108.81 2bpu n PHE 38 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 2bpu n PHE 38 Cb 0.59 -1.98 -0.10 0.00 -0.94 0.00 0.00 39.48 37.04 2bpu n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2bpu s ASN 39 N -2.88 5.99 0.59 4.37 2.47 -0.88 -1.13 114.94 123.46 2bpu s ASN 39 Ca 0.00 -0.71 0.31 0.00 0.42 0.00 0.00 52.86 52.87 2bpu s ASN 39 Cb 0.00 -2.12 1.82 0.00 -1.45 0.00 0.00 41.25 39.50 2bpu s ASN 39 CO 0.00 -0.34 2.23 0.71 -3.72 0.00 0.00 177.10 175.98 2bpu h THR 40 N 5.62 0.48 -0.18 -5.21 1.35 -1.26 -2.64 112.91 111.06 2bpu h THR 40 Ca -0.29 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2bpu h THR 40 Cb 1.13 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2bpu h THR 40 CO 0.68 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 2bpu n GLN 41 N -3.72 1.72 -1.87 4.72 6.02 -1.26 -3.88 117.38 119.11 2bpu n GLN 41 Ca -0.03 -1.09 -0.42 0.00 -0.01 0.00 0.00 57.00 55.45 2bpu n GLN 41 Cb 0.11 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 2bpu n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bpu s ALA 42 N -1.78 3.73 0.06 -1.58 0.00 -1.00 -4.81 121.76 116.39 2bpu s ALA 42 Ca 0.32 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.77 2bpu s ALA 42 Cb 0.17 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2bpu s ALA 42 CO 0.25 -0.87 -0.08 0.95 0.00 0.00 0.00 175.76 176.01 2bpu s THR 43 N 0.28 0.64 -0.17 0.00 -4.23 -1.26 -0.62 115.64 110.28 2bpu s THR 43 Ca 0.64 -1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 59.81 2bpu s THR 43 Cb -0.46 -0.84 0.06 0.00 1.34 0.00 0.00 72.50 72.61 2bpu s THR 43 CO 0.42 -0.45 0.42 0.20 -0.54 0.00 0.00 174.62 174.68 2bpu s ASN 44 N -1.84 -0.52 0.23 3.99 0.01 -0.74 -4.97 114.94 111.10 2bpu s ASN 44 Ca -0.05 0.91 -0.30 0.00 -0.71 0.00 0.00 52.86 52.71 2bpu s ASN 44 Cb -0.08 0.80 -0.09 0.00 0.41 0.00 0.00 41.25 42.30 2bpu s ASN 44 CO -0.00 -0.20 1.02 -0.60 -1.51 0.00 0.00 177.10 175.82 2bpu s ARG 45 N 1.44 4.73 0.35 -0.60 6.06 -1.26 -0.56 118.95 129.10 2bpu s ARG 45 Ca -0.09 1.64 0.05 0.00 -2.50 0.00 0.00 55.73 54.83 2bpu s ARG 45 Cb -0.08 -3.25 -0.01 0.00 0.06 0.00 0.00 34.95 31.66 2bpu s ARG 45 CO -0.13 0.31 0.51 -0.80 -2.50 0.00 0.00 175.30 172.69 2bpu s ASN 46 N -0.81 5.96 0.50 -2.12 0.01 0.62 -4.94 114.94 114.16 2bpu s ASN 46 Ca 0.44 -0.08 0.21 0.00 -0.71 0.00 0.00 52.86 52.72 2bpu s ASN 46 Cb -0.28 -1.32 1.28 0.00 0.41 0.00 0.00 41.25 41.34 2bpu s ASN 46 CO 0.36 -0.47 2.06 0.71 -1.51 0.00 0.00 177.10 178.25 2bpu h THR 47 N 0.80 0.84 -0.12 1.60 1.35 -1.98 -2.12 112.91 113.29 2bpu h THR 47 Ca -0.46 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2bpu h THR 47 Cb 1.25 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2bpu h THR 47 CO 0.54 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 2bpu n ASP 48 N -4.02 1.09 0.00 5.36 5.75 -1.26 -4.90 116.55 118.57 2bpu n ASP 48 Ca -0.02 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 2bpu n ASP 48 Cb 0.22 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2bpu n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bpu n GLY 49 N 0.99 1.91 3.75 6.12 0.00 -0.79 -5.02 105.19 112.14 2bpu n GLY 49 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2bpu n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bpu s SER 50 N -1.76 3.18 0.00 1.61 1.04 -1.26 -4.78 113.70 111.73 2bpu s SER 50 Ca 0.00 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.49 2bpu s SER 50 Cb 0.00 -1.65 -0.01 0.00 0.10 0.00 0.00 66.02 64.46 2bpu s SER 50 CO 0.00 -2.77 -0.08 -0.89 0.98 0.00 0.00 173.24 170.49 2bpu s THR 51 N -3.17 0.59 -0.09 2.02 2.01 -1.26 -0.27 115.64 115.47 2bpu s THR 51 Ca 0.64 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 2bpu s THR 51 Cb -0.16 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 2bpu s THR 51 CO 0.55 0.07 0.22 -1.81 -0.69 0.00 0.00 174.62 172.96 2bpu s ASP 52 N -0.44 6.51 -0.03 3.53 1.01 0.27 -0.91 116.67 126.61 2bpu s ASP 52 Ca 0.01 0.61 0.03 0.00 0.71 0.00 0.00 52.55 53.91 2bpu s ASP 52 Cb -0.04 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2bpu s ASP 52 CO -0.00 0.37 -0.13 -0.31 0.21 0.00 0.00 175.17 175.30 2bpu s TYR 53 N -0.94 1.34 0.00 4.23 2.02 -0.10 -1.79 117.35 122.12 2bpu s TYR 53 Ca 0.17 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2bpu s TYR 53 Cb -0.13 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 2bpu s TYR 53 CO 0.06 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 2bpu n GLY 54 N 3.22 -2.09 0.26 0.71 0.00 0.21 -1.48 105.19 106.03 2bpu n GLY 54 Ca -0.18 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.24 2bpu n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2bpu h ILE 55 N 0.00 0.82 -0.15 -0.61 3.07 -1.73 -1.98 117.51 116.93 2bpu h ILE 55 Ca 0.00 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.19 2bpu h ILE 55 Cb 0.00 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 2bpu h ILE 55 CO 0.00 0.06 0.00 0.18 -1.05 0.00 0.00 178.15 177.34 2bpu n LEU 56 N -4.14 3.05 -3.83 0.16 4.77 -1.26 -4.01 117.00 111.73 2bpu n LEU 56 Ca -0.03 -2.84 -0.32 0.00 -0.03 0.00 0.00 56.01 52.79 2bpu n LEU 56 Cb 0.14 -0.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2bpu n LEU 56 CO 0.32 0.68 -0.14 0.00 -1.33 0.00 0.00 177.39 176.91 2bpu n GLN 57 N -0.74 -1.72 -2.84 3.23 1.13 -0.75 -4.89 117.38 110.81 2bpu n GLN 57 Ca 0.16 0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 55.19 2bpu n GLN 57 Cb 0.69 -4.00 -0.04 0.00 0.11 0.00 0.00 30.24 27.00 2bpu n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bpu s ILE 58 N -3.64 4.94 0.10 5.09 1.01 -0.55 -4.41 121.20 123.74 2bpu s ILE 58 Ca 0.32 1.83 -0.18 0.00 0.00 0.00 0.00 60.65 62.62 2bpu s ILE 58 Cb -0.13 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 2bpu s ILE 58 CO 0.89 0.20 0.58 0.54 0.00 0.00 0.00 174.94 177.15 2bpu s ASN 59 N 0.92 7.02 0.19 3.58 2.20 -1.26 -0.92 114.94 126.67 2bpu s ASN 59 Ca 0.46 1.25 0.23 0.00 -0.94 0.00 0.00 52.86 53.86 2bpu s ASN 59 Cb -0.20 -2.35 0.90 0.00 -2.00 0.00 0.00 41.25 37.60 2bpu s ASN 59 CO 0.24 0.22 1.70 -1.54 -2.94 0.00 0.00 177.10 174.78 2bpu n SER 60 N 1.44 0.54 -0.06 3.54 3.41 -0.09 -1.73 113.62 120.68 2bpu n SER 60 Ca -0.09 0.61 0.01 0.00 -0.26 0.00 0.00 58.87 59.14 2bpu n SER 60 Cb 0.51 -0.73 0.31 0.00 -0.26 0.00 0.00 64.21 64.04 2bpu n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bpu h ARG 61 N 0.00 0.66 0.00 4.33 9.65 -1.83 -3.38 114.38 123.80 2bpu h ARG 61 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2bpu h ARG 61 Cb 0.43 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2bpu h ARG 61 CO 0.00 0.54 -0.73 0.91 2.80 0.00 0.00 179.97 183.49 2bpu n TRP 62 N -4.36 0.00 -0.04 2.20 7.02 -1.20 -1.86 117.44 119.20 2bpu n TRP 62 Ca 0.04 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.50 2bpu n TRP 62 Cb 0.15 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.94 2bpu n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2bpu n TRP 63 N -1.69 0.00 -4.05 -5.99 7.02 -0.70 -0.96 117.44 111.06 2bpu n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2bpu n TRP 63 Cb 0.36 -0.47 -0.09 0.00 -2.42 0.00 0.00 31.31 28.69 2bpu n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bpu s ASN 65 N -2.94 6.23 0.00 0.00 2.47 -0.30 -4.54 114.94 115.85 2bpu s ASN 65 Ca 0.11 0.26 0.03 0.00 0.42 0.00 0.00 52.86 53.68 2bpu s ASN 65 Cb 0.07 -2.17 0.02 0.00 -1.45 0.00 0.00 41.25 37.72 2bpu s ASN 65 CO -0.07 -0.07 0.58 -0.90 -3.72 0.00 0.00 177.10 172.92 2bpu n ASP 66 N 4.79 1.21 0.00 -4.21 5.68 -1.26 -0.88 116.55 121.88 2bpu n ASP 66 Ca -0.11 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 2bpu n ASP 66 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2bpu n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bpu n GLY 67 N 0.15 0.70 1.02 6.12 0.00 -1.26 -4.80 105.19 107.12 2bpu n GLY 67 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2bpu n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bpu n ARG 68 N -1.99 0.38 -3.57 1.61 1.85 -1.26 -4.88 116.66 108.79 2bpu n ARG 68 Ca 0.00 -2.07 -0.27 0.00 -1.00 0.00 0.00 57.85 54.51 2bpu n ARG 68 Cb 0.01 -0.51 -0.10 0.00 -1.05 0.00 0.00 32.46 30.82 2bpu n ARG 68 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2bpu n THR 69 N -0.04 1.46 -1.76 8.89 -1.04 -1.26 -4.85 114.28 115.68 2bpu n THR 69 Ca 0.08 -4.81 -0.42 0.00 -2.04 0.00 0.00 64.05 56.86 2bpu n THR 69 Cb 0.94 -2.08 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 2bpu n THR 69 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2bpu s PRO 70 N -1.75 4.14 0.00 -2.82 0.04 -1.26 -1.88 135.00 131.48 2bpu s PRO 70 Ca 0.33 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2bpu s PRO 70 Cb 0.07 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2bpu s PRO 70 CO -0.10 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2bpu n GLY 71 N 4.02 0.66 3.96 0.56 0.00 -1.26 -5.08 105.19 108.06 2bpu n GLY 71 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2bpu n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bpu s SER 72 N -2.79 4.10 0.46 1.61 1.04 -0.79 -5.09 113.70 112.25 2bpu s SER 72 Ca 0.00 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.43 2bpu s SER 72 Cb 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 2bpu s SER 72 CO 0.00 -2.05 0.17 -0.13 0.98 0.00 0.00 173.24 172.22 2bpu s ARG 73 N -5.36 2.20 -0.42 4.02 1.81 -0.78 -5.00 118.95 115.43 2bpu s ARG 73 Ca 0.67 -2.03 0.09 0.00 -1.72 0.00 0.00 55.73 52.74 2bpu s ARG 73 Cb -0.06 -1.88 0.29 0.00 -0.45 0.00 0.00 34.95 32.85 2bpu s ARG 73 CO 0.47 -0.28 0.63 -1.71 -0.68 0.00 0.00 175.30 173.73 2bpu n ASN 74 N -1.34 0.94 0.23 0.23 5.15 -1.18 -3.75 115.26 115.55 2bpu n ASN 74 Ca -0.06 -2.92 0.11 0.00 -0.60 0.00 0.00 54.58 51.12 2bpu n ASN 74 Cb 0.65 -0.63 0.42 0.00 -0.53 0.00 0.00 39.78 39.69 2bpu n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2bpu h LEU 75 N 3.64 0.00 -0.35 1.20 3.38 -1.01 -1.43 115.31 120.75 2bpu h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bpu h LEU 75 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2bpu h LEU 75 CO 0.53 0.17 -0.10 0.00 0.09 0.00 0.00 178.44 179.13 2bpu n ASN 77 N -0.76 -2.46 -3.85 0.00 4.13 -0.54 -4.98 115.26 106.80 2bpu n ASN 77 Ca 0.16 -0.79 -0.11 0.00 1.68 0.00 0.00 54.58 55.51 2bpu n ASN 77 Cb 0.28 -4.31 -0.09 0.00 -1.54 0.00 0.00 39.78 34.12 2bpu n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2bpu s ILE 78 N -3.56 0.09 0.34 2.41 -4.36 -1.26 -5.07 121.20 109.79 2bpu s ILE 78 Ca 0.11 -0.73 -0.27 0.00 -0.26 0.00 0.00 60.65 59.49 2bpu s ILE 78 Cb -0.03 -0.62 -0.09 0.00 1.25 0.00 0.00 42.46 42.97 2bpu s ILE 78 CO 0.79 -0.40 1.18 -2.16 0.24 0.00 0.00 174.94 174.59 2bpu s PRO 79 N -1.76 4.33 0.52 0.37 0.04 -1.26 -1.15 135.00 136.08 2bpu s PRO 79 Ca -0.11 1.92 0.19 0.00 0.04 0.00 0.00 61.00 63.03 2bpu s PRO 79 Cb -0.05 -2.95 1.30 0.00 0.04 0.00 0.00 34.50 32.84 2bpu s PRO 79 CO 0.00 -0.10 2.08 0.00 0.04 0.00 0.00 177.00 179.02 2bpu h SER 81 N 0.03 0.00 0.14 0.00 4.64 -1.91 -0.53 113.55 115.93 2bpu h SER 81 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2bpu h SER 81 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2bpu h SER 81 CO -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 2bpu h ALA 82 N 1.85 1.30 -0.00 5.18 0.00 -1.66 -1.42 119.26 124.51 2bpu h ALA 82 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bpu h ALA 82 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2bpu h ALA 82 CO -0.00 0.04 -0.01 1.28 0.00 0.00 0.00 179.25 180.56 2bpu n LEU 83 N -3.55 0.13 -0.47 0.00 4.77 -0.21 -3.16 117.00 114.50 2bpu n LEU 83 Ca -0.03 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2bpu n LEU 83 Cb 0.13 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2bpu n LEU 83 CO 0.26 0.02 0.35 0.18 -1.33 0.00 0.00 177.39 176.87 2bpu n LEU 84 N -0.98 1.90 -4.72 2.23 4.77 -0.53 -3.72 117.00 115.94 2bpu n LEU 84 Ca 0.21 -0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 55.00 2bpu n LEU 84 Cb 0.16 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 2bpu n LEU 84 CO 0.19 0.35 0.79 -0.55 -1.33 0.00 0.00 177.39 176.85 2bpu s SER 85 N -1.74 4.24 0.52 -1.43 0.15 -1.19 -4.13 113.70 110.12 2bpu s SER 85 Ca 0.16 2.33 0.28 0.00 0.70 0.00 0.00 55.95 59.41 2bpu s SER 85 Cb 0.13 -2.59 1.41 0.00 -1.71 0.00 0.00 66.02 63.27 2bpu s SER 85 CO 0.34 -2.23 2.04 0.77 1.20 0.00 0.00 173.24 175.36 2bpu h SER 86 N -0.31 0.00 -3.46 5.45 4.64 -1.94 -3.40 113.55 114.53 2bpu h SER 86 Ca -0.47 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 2bpu h SER 86 Cb 1.29 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 2bpu h SER 86 CO 0.50 0.12 0.35 -0.62 -0.87 0.00 0.00 176.83 176.31 2bpu s ASP 87 N -6.09 6.62 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.88 2bpu s ASP 87 Ca -0.02 0.59 0.20 0.00 -0.52 0.00 0.00 52.55 52.80 2bpu s ASP 87 Cb 0.12 -2.39 0.96 0.00 -1.46 0.00 0.00 42.92 40.15 2bpu s ASP 87 CO 0.58 -0.60 1.65 2.30 0.52 0.00 0.00 175.17 179.62 2bpu n ILE 88 N 5.52 0.09 -0.10 4.11 -5.35 -1.26 -4.35 119.36 118.02 2bpu n ILE 88 Ca 0.03 -0.16 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 2bpu n ILE 88 Cb 0.48 0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 2bpu n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2bpu h THR 89 N 1.04 0.32 -0.52 7.28 2.02 -1.93 0.45 112.91 121.57 2bpu h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2bpu h THR 89 Cb 0.23 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2bpu h THR 89 CO 0.00 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.21 2bpu h ALA 90 N 0.90 0.66 -0.78 6.16 0.00 -1.84 -0.31 119.26 124.05 2bpu h ALA 90 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2bpu h ALA 90 Cb 0.49 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2bpu h ALA 90 CO -0.49 0.12 0.45 0.77 0.00 0.00 0.00 179.25 180.10 2bpu h SER 91 N 0.69 0.96 -0.16 0.00 0.02 -1.64 -1.37 113.55 112.05 2bpu h SER 91 Ca 0.19 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2bpu h SER 91 Cb -0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2bpu h SER 91 CO -0.04 0.76 -0.02 0.58 -1.14 0.00 0.00 176.83 176.97 2bpu h VAL 92 N 1.08 1.27 -0.78 2.27 2.07 -0.52 0.34 116.25 121.98 2bpu h VAL 92 Ca 0.28 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2bpu h VAL 92 Cb -0.00 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2bpu h VAL 92 CO -0.05 0.27 0.37 0.78 0.02 0.00 0.00 177.57 178.97 2bpu h ASN 93 N 0.01 1.01 -0.22 0.57 2.35 -0.97 -1.29 115.58 117.05 2bpu h ASN 93 Ca 0.04 -0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.50 2bpu h ASN 93 Cb 0.43 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2bpu h ASN 93 CO 0.01 0.85 -0.53 0.00 -1.65 0.00 0.00 177.43 176.11 2bpu h ALA 95 N 0.77 1.62 -0.69 0.00 0.00 -0.59 -1.13 119.26 119.24 2bpu h ALA 95 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2bpu h ALA 95 Cb 1.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2bpu h ALA 95 CO 0.12 0.29 0.28 0.87 0.00 0.00 0.00 179.25 180.80 2bpu h LYS 96 N 0.84 1.01 -0.20 0.00 1.57 -1.11 -0.21 116.57 118.47 2bpu h LYS 96 Ca 0.30 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2bpu h LYS 96 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2bpu h LYS 96 CO -0.09 0.82 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.31 2bpu h LYS 97 N 0.99 0.41 -0.25 3.15 3.64 -1.25 -3.01 116.57 120.25 2bpu h LYS 97 Ca 0.23 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2bpu h LYS 97 Cb 0.19 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2bpu h LYS 97 CO -0.02 0.68 0.06 0.82 -2.27 0.00 0.00 179.45 178.73 2bpu h ILE 98 N 0.11 0.90 0.00 2.00 2.04 -0.81 -1.93 117.51 119.82 2bpu h ILE 98 Ca 0.05 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2bpu h ILE 98 Cb 0.55 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2bpu h ILE 98 CO 0.03 0.03 0.00 1.62 0.00 0.00 0.00 178.15 179.83 2bpu h VAL 99 N 0.17 0.00 -0.08 1.67 3.04 -1.10 -1.54 116.25 118.40 2bpu h VAL 99 Ca 0.11 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 2bpu h VAL 99 Cb 0.10 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2bpu h VAL 99 CO -0.14 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.22 2bpu n SER 100 N -2.31 1.75 0.18 3.17 7.64 -0.74 -3.71 113.62 119.61 2bpu n SER 100 Ca 0.02 -1.63 0.14 0.00 1.01 0.00 0.00 58.87 58.41 2bpu n SER 100 Cb 0.22 -0.05 0.50 0.00 -1.01 0.00 0.00 64.21 63.87 2bpu n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2bpu h ASP 101 N 2.56 0.00 0.00 6.43 3.58 -1.11 -3.47 116.42 124.41 2bpu h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2bpu h ASP 101 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2bpu h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2bpu n GLY 102 N 0.38 4.23 1.47 -0.78 0.00 -1.26 -4.98 105.19 104.26 2bpu n GLY 102 Ca 0.02 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.45 2bpu n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bpu n ASN 103 N 0.00 4.32 0.00 1.61 3.02 -1.26 -5.05 115.26 117.90 2bpu n ASN 103 Ca 0.00 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 2bpu n ASN 103 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2bpu n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bpu n GLY 104 N 1.48 2.44 0.00 7.41 0.00 -1.24 -2.08 105.19 113.20 2bpu n GLY 104 Ca 0.25 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2bpu n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bpu n MET 105 N 12.44 0.55 0.23 1.61 2.81 -1.26 -2.79 117.12 130.71 2bpu n MET 105 Ca 0.00 0.03 0.16 0.00 -1.81 0.00 0.00 57.70 56.08 2bpu n MET 105 Cb 0.00 -1.50 0.81 0.00 -0.71 0.00 0.00 33.22 31.82 2bpu n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2bpu h ASN 106 N 0.00 0.00 -0.37 7.83 4.21 -1.84 -1.27 115.58 124.15 2bpu h ASN 106 Ca 0.00 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.60 2bpu h ASN 106 Cb 0.12 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 2bpu h ASN 106 CO 0.00 0.00 0.26 0.00 -1.29 0.00 0.00 177.43 176.40 2bpu h ALA 107 N 2.02 2.25 -2.00 -0.83 0.00 -1.68 -3.34 119.26 115.68 2bpu h ALA 107 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 2bpu h ALA 107 Cb 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 2bpu h ALA 107 CO 0.00 -0.35 0.18 -1.58 0.00 0.00 0.00 179.25 177.51 2bpu s TRP 108 N -5.10 2.97 0.35 0.00 0.51 -0.48 -4.93 118.94 112.25 2bpu s TRP 108 Ca -0.06 -0.47 0.02 0.00 -2.12 0.00 0.00 56.10 53.48 2bpu s TRP 108 Cb 0.19 -3.73 0.63 0.00 -0.81 0.00 0.00 33.47 29.75 2bpu s TRP 108 CO 0.71 -1.15 2.00 -0.24 -0.51 0.00 0.00 176.95 177.76 2bpu h VAL 109 N 5.90 1.14 -0.17 4.03 3.04 -1.83 -1.03 116.25 127.34 2bpu h VAL 109 Ca -0.27 -0.30 -0.10 0.00 -1.01 0.00 0.00 66.70 65.02 2bpu h VAL 109 Cb 1.09 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2bpu h VAL 109 CO 1.01 0.16 -0.32 0.00 -1.01 0.00 0.00 177.57 177.41 2bpu h ALA 110 N 1.59 1.15 -0.03 3.17 0.00 -1.92 -0.50 119.26 122.72 2bpu h ALA 110 Ca 0.26 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bpu h ALA 110 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2bpu h ALA 110 CO -0.06 0.55 0.01 2.35 0.00 0.00 0.00 179.25 182.10 2bpu h TRP 111 N 0.29 0.04 -0.64 0.00 7.01 -1.52 -0.55 115.95 120.58 2bpu h TRP 111 Ca 0.04 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.07 2bpu h TRP 111 Cb 0.71 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 2bpu h TRP 111 CO 0.02 0.12 0.39 -0.09 -2.79 0.00 0.00 178.44 176.09 2bpu h ARG 112 N -0.06 0.73 0.00 2.65 2.43 -0.93 0.13 114.38 119.34 2bpu h ARG 112 Ca 0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2bpu h ARG 112 Cb 0.10 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2bpu h ARG 112 CO -0.00 0.48 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.54 2bpu h ASN 113 N 0.75 0.00 0.00 -3.80 2.35 -1.07 -3.36 115.58 110.45 2bpu h ASN 113 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2bpu h ASN 113 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2bpu h ASN 113 CO -0.12 0.17 -0.35 0.54 -1.65 0.00 0.00 177.43 176.02 2bpu n ARG 114 N -3.00 3.14 -0.02 0.81 1.74 -0.22 -4.90 116.66 114.20 2bpu n ARG 114 Ca 0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2bpu n ARG 114 Cb 0.61 -0.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.44 2bpu n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bpu n LYS 116 N -2.81 1.87 -0.88 0.00 4.81 0.26 -1.26 118.16 120.15 2bpu n LYS 116 Ca -0.08 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2bpu n LYS 116 Cb 0.58 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.21 2bpu n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bpu n GLY 117 N 3.36 1.22 4.01 3.14 0.00 -1.26 -4.95 105.19 110.71 2bpu n GLY 117 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2bpu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bpu s THR 118 N -3.88 2.40 -1.39 2.61 -4.23 -0.39 -4.98 115.64 105.79 2bpu s THR 118 Ca 0.00 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 59.53 2bpu s THR 118 Cb 0.00 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.31 2bpu s THR 118 CO 0.00 0.00 2.01 -0.67 -0.54 0.00 0.00 174.62 175.42 2bpu n ASP 119 N -2.36 4.36 0.28 3.99 2.03 -1.26 -4.75 116.55 118.83 2bpu n ASP 119 Ca 0.13 -2.88 0.17 0.00 0.52 0.00 0.00 54.79 52.73 2bpu n ASP 119 Cb 0.60 -1.70 0.72 0.00 -0.72 0.00 0.00 41.12 40.03 2bpu n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2bpu h VAL 120 N 4.68 0.04 -0.01 5.18 -1.51 -1.91 -2.40 116.25 120.32 2bpu h VAL 120 Ca 0.51 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 2bpu h VAL 120 Cb 0.74 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2bpu h VAL 120 CO 1.70 0.01 0.02 0.06 -1.23 0.00 0.00 177.57 178.13 2bpu h GLN 121 N 0.00 0.00 -0.55 5.19 3.07 -1.88 -1.41 115.11 119.53 2bpu h GLN 121 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.90 2bpu h GLN 121 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.02 2bpu h GLN 121 CO 0.00 0.00 0.40 0.00 0.09 0.00 0.00 178.83 179.32 2bpu h ALA 122 N 1.98 2.52 0.00 0.06 0.00 -1.83 -1.73 119.26 120.26 2bpu h ALA 122 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bpu h ALA 122 Cb 0.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bpu h ALA 122 CO -0.00 -0.69 0.00 -1.49 0.00 0.00 0.00 179.25 177.07 2bpu h TRP 123 N 0.00 0.00 -0.12 0.00 4.06 -1.47 -2.78 115.95 115.63 2bpu h TRP 123 Ca 0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.21 2bpu h TRP 123 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 2bpu h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 2bpu n ILE 124 N -2.46 1.03 -1.70 1.49 -5.35 -0.66 -4.79 119.36 106.90 2bpu n ILE 124 Ca 0.02 -1.03 -0.43 0.00 -0.27 0.00 0.00 62.75 61.03 2bpu n ILE 124 Cb 0.25 0.48 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 2bpu n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2bpu n ARG 125 N -0.16 2.33 0.00 6.28 0.63 -1.05 -2.15 116.66 122.54 2bpu n ARG 125 Ca 0.05 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 2bpu n ARG 125 Cb 0.32 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.69 2bpu n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2bpu n GLY 126 N 2.23 2.90 3.78 5.14 0.00 -1.26 -5.01 105.19 112.97 2bpu n GLY 126 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2bpu n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpu s ARG 128 N -2.36 3.48 0.00 0.00 0.52 -1.26 -5.12 118.95 114.21 2bpu s ARG 128 Ca 0.56 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 2bpu s ARG 128 Cb -0.22 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.26 2bpu s ARG 128 CO 0.28 -1.45 0.03 1.28 0.02 0.00 0.00 175.30 175.46