#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqg s VAL 2 N 0.00 3.18 0.58 3.15 1.01 -1.26 0.38 120.40 127.44 2dqg s VAL 2 Ca 0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.57 2dqg s VAL 2 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2dqg s VAL 2 CO 0.00 -0.07 1.05 -0.36 0.00 0.00 0.00 175.10 175.72 2dqg s PHE 3 N 1.31 3.04 0.46 5.22 0.40 -0.08 -4.98 117.98 123.35 2dqg s PHE 3 Ca -0.03 1.51 -0.05 0.00 -0.60 0.00 0.00 56.93 57.75 2dqg s PHE 3 Cb -0.19 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 2dqg s PHE 3 CO -0.01 -1.02 0.76 0.20 0.70 0.00 0.00 175.22 175.86 2dqg s GLY 4 N -2.79 1.54 0.12 4.36 0.00 -1.26 -4.82 107.32 104.46 2dqg s GLY 4 Ca 0.63 -0.50 -0.28 0.00 0.00 0.00 0.00 44.72 44.57 2dqg s GLY 4 CO 0.36 -0.34 1.61 -0.09 0.00 0.00 0.00 173.10 174.63 2dqg h ARG 5 N 0.38 -0.48 -0.41 2.90 2.43 -1.96 -0.81 114.38 116.44 2dqg h ARG 5 Ca -0.47 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 2dqg h ARG 5 Cb 1.20 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2dqg h ARG 5 CO 0.62 -0.32 -0.11 0.00 -1.51 0.00 0.00 179.97 178.65 2dqg h GLU 7 N 0.66 0.76 -0.29 0.00 4.81 -1.84 -1.05 114.58 117.63 2dqg h GLU 7 Ca 0.11 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 2dqg h GLU 7 Cb 0.57 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2dqg h GLU 7 CO 0.04 0.50 -0.28 1.25 -0.73 0.00 0.00 179.01 179.79 2dqg h LEU 8 N 0.78 0.75 -0.59 1.64 5.85 -0.97 -1.74 115.31 121.03 2dqg h LEU 8 Ca 0.23 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2dqg h LEU 8 Cb -0.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2dqg h LEU 8 CO -0.07 1.06 0.34 0.00 -0.34 0.00 0.00 178.44 179.43 2dqg h ALA 9 N 0.71 0.77 -0.46 1.25 0.00 -1.05 0.61 119.26 121.08 2dqg h ALA 9 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dqg h ALA 9 Cb 0.84 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2dqg h ALA 9 CO 0.07 0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.45 2dqg h ALA 10 N 1.28 0.61 -0.22 0.00 0.00 -1.14 -0.81 119.26 118.98 2dqg h ALA 10 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dqg h ALA 10 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2dqg h ALA 10 CO -0.13 0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.56 2dqg h ALA 11 N 0.96 0.29 0.00 0.00 0.00 -0.62 -1.29 119.26 118.60 2dqg h ALA 11 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dqg h ALA 11 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dqg h ALA 11 CO 0.01 -0.15 -0.23 0.52 0.00 0.00 0.00 179.25 179.40 2dqg h MET 12 N 0.23 0.00 -0.44 0.00 2.86 0.32 -0.82 114.93 117.08 2dqg h MET 12 Ca 0.08 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 2dqg h MET 12 Cb 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2dqg h MET 12 CO -0.01 0.23 -0.29 -0.22 1.06 0.00 0.00 176.91 177.68 2dqg h LYS 13 N 0.00 0.97 -0.21 1.72 3.64 -0.77 -1.98 116.57 119.94 2dqg h LYS 13 Ca -0.00 -0.46 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2dqg h LYS 13 Cb 0.41 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2dqg h LYS 13 CO 0.03 1.13 -0.06 -0.09 -2.27 0.00 0.00 179.45 178.19 2dqg h ARG 14 N 0.82 0.32 -0.85 1.90 2.43 -0.17 -1.75 114.38 117.08 2dqg h ARG 14 Ca 0.09 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2dqg h ARG 14 Cb 0.88 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 2dqg h ARG 14 CO 0.08 0.39 0.09 0.72 -1.51 0.00 0.00 179.97 179.75 2dqg n HIS 15 N -4.31 1.21 -3.49 2.20 8.25 -0.42 -4.93 115.22 113.73 2dqg n HIS 15 Ca -0.00 -0.60 -0.18 0.00 -0.26 0.00 0.00 57.72 56.68 2dqg n HIS 15 Cb 0.23 -0.40 0.08 0.00 1.12 0.00 0.00 29.99 31.03 2dqg n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dqg n GLY 16 N 0.13 -0.35 0.28 -1.41 0.00 -0.66 -4.94 105.19 98.24 2dqg n GLY 16 Ca 0.19 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.34 2dqg n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dqg n LEU 17 N -4.19 2.21 0.19 0.99 4.77 -0.79 -4.49 117.00 115.69 2dqg n LEU 17 Ca -0.28 -1.78 0.11 0.00 -0.03 0.00 0.00 56.01 54.03 2dqg n LEU 17 Cb 0.67 -0.08 0.65 0.00 -2.33 0.00 0.00 43.42 42.33 2dqg n LEU 17 CO 0.63 0.54 1.10 -0.78 -1.33 0.00 0.00 177.39 177.55 2dqg h ASP 18 N 0.96 0.00 -0.02 -1.43 3.58 -1.83 -3.24 116.42 114.44 2dqg h ASP 18 Ca 0.00 -0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2dqg h ASP 18 Cb 0.52 -0.00 -0.16 0.00 1.72 0.00 0.00 39.33 41.42 2dqg h ASP 18 CO 0.00 0.00 -0.33 -3.20 -2.88 0.00 0.00 179.24 172.83 2dqg n ASN 19 N -4.50 -1.57 -4.71 2.28 5.15 -1.23 -1.73 115.26 108.95 2dqg n ASN 19 Ca 0.00 -2.32 -0.42 0.00 -0.60 0.00 0.00 54.58 51.24 2dqg n ASN 19 Cb 0.23 0.80 -0.03 0.00 -0.53 0.00 0.00 39.78 40.25 2dqg n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2dqg s TYR 20 N 0.06 3.47 -1.65 1.20 5.04 -1.12 -3.87 117.35 120.47 2dqg s TYR 20 Ca 0.15 1.35 -0.14 0.00 -2.44 0.00 0.00 57.07 56.00 2dqg s TYR 20 Cb 0.43 -3.38 0.14 0.00 0.35 0.00 0.00 41.96 39.49 2dqg s TYR 20 CO -0.11 -1.12 0.34 0.54 -1.34 0.00 0.00 175.55 173.86 2dqg n ARG 21 N 3.87 -0.81 -0.78 4.97 5.12 -1.26 -0.44 116.66 127.33 2dqg n ARG 21 Ca 0.08 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 2dqg n ARG 21 Cb 0.47 -4.02 0.00 0.00 -1.16 0.00 0.00 32.46 27.75 2dqg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dqg n GLY 22 N -1.61 0.74 3.32 -0.13 0.00 -1.25 -5.03 105.19 101.22 2dqg n GLY 22 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2dqg n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dqg s TYR 23 N -2.71 3.07 0.61 1.61 2.02 0.42 -5.08 117.35 117.29 2dqg s TYR 23 Ca 0.00 -0.99 -0.17 0.00 -0.37 0.00 0.00 57.07 55.53 2dqg s TYR 23 Cb 0.00 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 2dqg s TYR 23 CO 0.00 -0.57 1.14 -1.54 -1.57 0.00 0.00 175.55 173.01 2dqg s SER 24 N 1.48 5.27 0.34 2.29 1.04 -1.26 -2.79 113.70 120.07 2dqg s SER 24 Ca 0.04 2.14 0.13 0.00 0.48 0.00 0.00 55.95 58.74 2dqg s SER 24 Cb -0.16 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.39 2dqg s SER 24 CO -0.00 -1.52 1.71 0.25 0.98 0.00 0.00 173.24 174.66 2dqg h LEU 25 N 0.55 0.58 -1.44 2.42 5.85 -1.36 -1.19 115.31 120.73 2dqg h LEU 25 Ca -0.49 0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.53 2dqg h LEU 25 Cb 1.26 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 2dqg h LEU 25 CO 0.55 0.02 0.54 1.23 -0.34 0.00 0.00 178.44 180.44 2dqg h GLY 26 N 0.46 0.95 0.74 3.75 0.00 -1.89 -1.82 103.07 105.26 2dqg h GLY 26 Ca 0.67 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.80 2dqg h GLY 26 CO -0.49 0.08 0.15 3.43 0.00 0.00 0.00 176.54 179.71 2dqg h ASN 27 N 0.55 0.19 -0.07 0.19 2.35 -1.43 -1.29 115.58 116.07 2dqg h ASN 27 Ca 0.41 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 56.09 2dqg h ASN 27 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2dqg h ASN 27 CO -0.16 0.14 -0.27 -0.50 -1.65 0.00 0.00 177.43 174.99 2dqg h TRP 28 N 0.31 0.59 -0.11 1.19 4.06 -1.47 -0.48 115.95 120.04 2dqg h TRP 28 Ca 0.16 -0.13 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 2dqg h TRP 28 Cb 0.11 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 2dqg h TRP 28 CO -0.13 0.74 -0.26 0.28 -3.56 0.00 0.00 178.44 175.52 2dqg h VAL 29 N 0.45 1.39 -0.28 1.49 2.07 -1.33 -2.22 116.25 117.82 2dqg h VAL 29 Ca 0.06 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.05 2dqg h VAL 29 Cb 0.71 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2dqg h VAL 29 CO 0.05 0.46 0.08 0.00 0.02 0.00 0.00 177.57 178.18 2dqg h ALA 31 N 1.19 0.06 -0.97 0.00 0.00 -1.09 -1.84 119.26 116.60 2dqg h ALA 31 Ca 0.13 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2dqg h ALA 31 Cb 0.11 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2dqg h ALA 31 CO -0.14 -0.51 0.63 0.00 0.00 0.00 0.00 179.25 179.23 2dqg h ALA 32 N 1.08 1.37 0.02 0.00 0.00 -1.12 0.24 119.26 120.85 2dqg h ALA 32 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dqg h ALA 32 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dqg h ALA 32 CO -0.16 0.54 -0.12 -0.22 0.00 0.00 0.00 179.25 179.29 2dqg h LYS 33 N 1.23 -0.21 -0.00 0.00 1.63 -0.37 -0.99 116.57 117.86 2dqg h LYS 33 Ca 0.38 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 2dqg h LYS 33 Cb -0.01 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2dqg h LYS 33 CO -0.11 -0.14 -0.35 1.19 -3.45 0.00 0.00 179.45 176.59 2dqg n PHE 34 N -5.25 0.00 -0.04 1.91 3.72 -0.76 -0.81 117.46 116.24 2dqg n PHE 34 Ca -0.06 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.12 2dqg n PHE 34 Cb 0.17 -0.26 -0.13 0.00 -0.94 0.00 0.00 39.48 38.32 2dqg n PHE 34 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2dqg n GLU 35 N -1.30 0.68 0.00 -1.08 4.07 0.80 -4.71 120.64 119.10 2dqg n GLU 35 Ca 0.08 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 2dqg n GLU 35 Cb 0.33 -1.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2dqg n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2dqg n SER 36 N -3.89 0.18 -3.38 4.31 3.41 -0.51 -4.80 113.62 108.94 2dqg n SER 36 Ca -0.32 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.06 2dqg n SER 36 Cb 0.89 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.92 2dqg n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dqg n ASN 37 N -0.00 -6.15 -0.28 4.04 4.05 0.01 -2.13 115.26 114.80 2dqg n ASN 37 Ca 0.00 -0.49 -0.04 0.00 0.45 0.00 0.00 54.58 54.51 2dqg n ASN 37 Cb 0.21 -4.79 -0.02 0.00 1.23 0.00 0.00 39.78 36.41 2dqg n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2dqg n PHE 38 N -4.84 0.00 -3.28 1.20 3.72 -1.07 -4.83 117.46 108.35 2dqg n PHE 38 Ca -0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 2dqg n PHE 38 Cb 0.56 -1.54 -0.08 0.00 -0.94 0.00 0.00 39.48 37.48 2dqg n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2dqg s ASN 39 N -2.25 6.35 0.40 4.37 3.04 -0.90 -0.90 114.94 125.04 2dqg s ASN 39 Ca 0.00 0.32 0.27 0.00 0.04 0.00 0.00 52.86 53.49 2dqg s ASN 39 Cb 0.00 -2.26 0.84 0.00 -1.54 0.00 0.00 41.25 38.29 2dqg s ASN 39 CO 0.00 -0.30 1.77 0.71 -3.04 0.00 0.00 177.10 176.24 2dqg h THR 40 N 5.45 0.00 -0.08 -5.21 1.35 -0.40 -3.09 112.91 110.93 2dqg h THR 40 Ca -0.29 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2dqg h THR 40 Cb 1.14 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2dqg h THR 40 CO 0.71 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 2dqg n GLN 41 N -2.79 2.23 -1.76 4.72 1.13 -1.26 -4.01 117.38 115.64 2dqg n GLN 41 Ca 0.03 -1.80 -0.41 0.00 -1.94 0.00 0.00 57.00 52.88 2dqg n GLN 41 Cb 0.40 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 2dqg n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dqg n ALA 42 N 1.15 2.49 -2.80 -1.58 0.00 -1.17 -4.81 120.51 113.79 2dqg n ALA 42 Ca 0.16 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 2dqg n ALA 42 Cb 0.55 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.46 2dqg n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dqg s THR 43 N -0.54 0.13 -0.20 0.00 -4.23 -1.26 -1.46 115.64 108.07 2dqg s THR 43 Ca 0.59 -1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.00 2dqg s THR 43 Cb -0.48 -0.68 0.10 0.00 1.34 0.00 0.00 72.50 72.78 2dqg s THR 43 CO 0.56 -0.57 0.38 0.21 -0.54 0.00 0.00 174.62 174.66 2dqg s ASN 44 N -1.87 0.01 -0.01 3.99 2.47 -0.82 -4.98 114.94 113.74 2dqg s ASN 44 Ca -0.09 0.68 -0.30 0.00 0.42 0.00 0.00 52.86 53.57 2dqg s ASN 44 Cb -0.04 1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 40.90 2dqg s ASN 44 CO -0.03 -0.26 1.00 -0.60 -3.72 0.00 0.00 177.10 173.49 2dqg s ARG 45 N 2.56 4.54 0.55 0.43 3.52 -1.26 -1.55 118.95 127.73 2dqg s ARG 45 Ca 0.03 1.44 0.04 0.00 -0.13 0.00 0.00 55.73 57.12 2dqg s ARG 45 Cb -0.13 -3.46 0.05 0.00 -1.56 0.00 0.00 34.95 29.85 2dqg s ARG 45 CO -0.13 -0.09 0.76 -0.80 -0.81 0.00 0.00 175.30 174.23 2dqg s ASN 46 N 1.03 5.19 0.00 -2.12 0.01 0.43 -4.99 114.94 114.49 2dqg s ASN 46 Ca 0.52 -0.33 0.14 0.00 -0.71 0.00 0.00 52.86 52.48 2dqg s ASN 46 Cb -0.21 -0.47 0.58 0.00 0.41 0.00 0.00 41.25 41.56 2dqg s ASN 46 CO 0.27 -1.20 1.44 1.07 -1.51 0.00 0.00 177.10 177.17 2dqg n THR 47 N -2.28 1.06 -0.46 1.60 5.66 -1.26 -2.45 114.28 116.15 2dqg n THR 47 Ca 0.10 0.27 0.08 0.00 -3.05 0.00 0.00 64.05 61.45 2dqg n THR 47 Cb 0.60 -1.03 0.24 0.00 -1.55 0.00 0.00 70.33 68.59 2dqg n THR 47 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2dqg n ASP 48 N -1.50 3.67 0.00 1.09 3.85 -1.26 -4.94 116.55 117.46 2dqg n ASP 48 Ca 0.03 -2.30 0.00 0.00 -0.71 0.00 0.00 54.79 51.81 2dqg n ASP 48 Cb 0.16 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 2dqg n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dqg n GLY 49 N 0.61 2.13 3.88 6.12 0.00 -1.03 -4.75 105.19 112.15 2dqg n GLY 49 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2dqg n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqg s SER 50 N -3.53 6.31 0.01 1.61 1.04 -1.26 -4.56 113.70 113.32 2dqg s SER 50 Ca 0.00 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.73 2dqg s SER 50 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 2dqg s SER 50 CO 0.00 -0.71 -0.11 -0.89 0.98 0.00 0.00 173.24 172.51 2dqg s THR 51 N -2.91 0.88 -0.17 2.02 2.01 -1.26 -0.43 115.64 115.78 2dqg s THR 51 Ca 0.53 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 2dqg s THR 51 Cb -0.11 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 2dqg s THR 51 CO 0.47 0.13 0.31 -1.81 -0.69 0.00 0.00 174.62 173.02 2dqg s ASP 52 N -0.58 6.43 0.07 3.53 -0.00 -0.60 -0.51 116.67 125.01 2dqg s ASP 52 Ca 0.02 0.50 0.09 0.00 -0.00 0.00 0.00 52.55 53.17 2dqg s ASP 52 Cb -0.05 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.92 40.64 2dqg s ASP 52 CO 0.00 0.07 -0.26 -0.31 -0.00 0.00 0.00 175.17 174.67 2dqg s TYR 53 N 0.63 2.24 0.00 4.23 1.51 0.42 -1.94 117.35 124.44 2dqg s TYR 53 Ca 0.17 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 2dqg s TYR 53 Cb -0.13 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 2dqg s TYR 53 CO 0.05 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 2dqg n GLY 54 N 1.54 -2.81 0.33 0.71 0.00 -0.53 0.50 105.19 104.93 2dqg n GLY 54 Ca -0.17 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.31 2dqg n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2dqg h ILE 55 N 0.00 0.71 -0.35 -0.61 6.09 -1.68 -1.15 117.51 120.51 2dqg h ILE 55 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2dqg h ILE 55 Cb 0.00 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.14 2dqg h ILE 55 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 2dqg n LEU 56 N -4.21 3.35 -3.87 2.19 4.77 -1.26 -3.98 117.00 114.00 2dqg n LEU 56 Ca 0.03 -2.33 -0.36 0.00 -0.03 0.00 0.00 56.01 53.33 2dqg n LEU 56 Cb 0.35 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2dqg n LEU 56 CO 0.33 0.72 -0.14 0.00 -1.33 0.00 0.00 177.39 176.97 2dqg n GLN 57 N 0.28 -0.84 -2.82 3.23 1.13 -0.44 -4.89 117.38 113.03 2dqg n GLN 57 Ca 0.16 0.41 -0.42 0.00 -1.94 0.00 0.00 57.00 55.20 2dqg n GLN 57 Cb 0.60 -2.95 -0.03 0.00 0.11 0.00 0.00 30.24 27.96 2dqg n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dqg s ILE 58 N -3.34 4.85 0.16 5.09 1.01 0.18 -4.39 121.20 124.75 2dqg s ILE 58 Ca 0.34 1.78 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 2dqg s ILE 58 Cb -0.17 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 2dqg s ILE 58 CO 0.92 0.02 1.24 0.21 0.00 0.00 0.00 174.94 177.33 2dqg s ASN 59 N 1.12 7.02 0.00 3.58 3.84 -1.26 -0.44 114.94 128.80 2dqg s ASN 59 Ca 0.42 2.24 0.23 0.00 0.21 0.00 0.00 52.86 55.96 2dqg s ASN 59 Cb -0.17 -2.60 0.99 0.00 -0.55 0.00 0.00 41.25 38.92 2dqg s ASN 59 CO 0.14 -0.45 1.74 -1.54 -2.79 0.00 0.00 177.10 174.20 2dqg n SER 60 N 2.95 0.00 0.07 -4.21 3.41 0.33 -1.48 113.62 114.69 2dqg n SER 60 Ca 0.06 0.50 -0.17 0.00 -0.26 0.00 0.00 58.87 59.01 2dqg n SER 60 Cb 0.44 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 2dqg n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dqg h ARG 61 N 0.00 0.49 0.00 4.33 9.65 -1.84 -3.41 114.38 123.61 2dqg h ARG 61 Ca 0.00 -0.58 -0.04 0.00 -1.10 0.00 0.00 59.98 58.26 2dqg h ARG 61 Cb 0.40 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 2dqg h ARG 61 CO 0.00 1.21 -1.16 0.91 2.80 0.00 0.00 179.97 183.74 2dqg n TRP 62 N -3.75 0.00 -0.12 2.20 7.02 -1.22 -1.40 117.44 120.18 2dqg n TRP 62 Ca -0.09 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.21 2dqg n TRP 62 Cb 0.89 -0.11 -0.11 0.00 -2.42 0.00 0.00 31.31 29.57 2dqg n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2dqg n TRP 63 N -2.04 0.00 -4.25 -5.99 7.02 -0.55 -0.10 117.44 111.54 2dqg n TRP 63 Ca -0.03 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.31 2dqg n TRP 63 Cb 0.53 -0.92 -0.10 0.00 -2.42 0.00 0.00 31.31 28.40 2dqg n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dqg s ASN 65 N -3.16 5.77 0.00 0.00 2.47 -0.73 -4.44 114.94 114.85 2dqg s ASN 65 Ca 0.17 -0.64 0.17 0.00 0.42 0.00 0.00 52.86 52.97 2dqg s ASN 65 Cb 0.03 -2.06 0.21 0.00 -1.45 0.00 0.00 41.25 37.98 2dqg s ASN 65 CO 0.00 -0.27 1.11 -0.90 -3.72 0.00 0.00 177.10 173.32 2dqg n ASP 66 N 5.03 2.63 0.00 -4.21 3.85 -1.26 -1.58 116.55 121.01 2dqg n ASP 66 Ca -0.13 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 2dqg n ASP 66 Cb 0.48 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 2dqg n ASP 66 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dqg n GLY 67 N 0.96 0.28 2.41 6.12 0.00 -1.26 -4.85 105.19 108.85 2dqg n GLY 67 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2dqg n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dqg n ARG 68 N -1.11 1.19 -4.02 1.61 1.85 -1.26 -5.06 116.66 109.86 2dqg n ARG 68 Ca 0.00 -2.70 -0.26 0.00 -1.00 0.00 0.00 57.85 53.90 2dqg n ARG 68 Cb 0.22 -0.84 -0.17 0.00 -1.05 0.00 0.00 32.46 30.63 2dqg n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2dqg s THR 69 N -2.17 0.94 0.00 8.89 2.01 -1.26 -4.84 115.64 119.21 2dqg s THR 69 Ca 0.24 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2dqg s THR 69 Cb 0.34 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2dqg s THR 69 CO -0.08 0.35 0.00 -2.65 -0.69 0.00 0.00 174.62 171.55 2dqg n PRO 70 N 4.72 0.00 -0.58 4.92 -0.02 -1.26 -2.91 135.00 139.87 2dqg n PRO 70 Ca -0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.30 2dqg n PRO 70 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.93 2dqg n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dqg n GLY 71 N 0.00 2.40 3.65 -1.23 0.00 -1.26 -4.94 105.19 103.81 2dqg n GLY 71 Ca 0.00 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.21 2dqg n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dqg n SER 72 N 1.90 2.43 -0.04 1.61 2.88 -1.15 -4.84 113.62 116.42 2dqg n SER 72 Ca 0.13 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.79 2dqg n SER 72 Cb 0.55 -1.38 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 2dqg n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dqg n ARG 73 N 1.95 1.48 -3.68 -1.46 5.12 -0.49 -5.00 116.66 114.58 2dqg n ARG 73 Ca 0.12 -0.04 -0.25 0.00 -1.93 0.00 0.00 57.85 55.75 2dqg n ARG 73 Cb 0.30 -1.32 0.03 0.00 -1.16 0.00 0.00 32.46 30.31 2dqg n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2dqg n ASN 74 N -2.31 -3.22 0.27 0.55 4.05 -1.15 -4.88 115.26 108.57 2dqg n ASN 74 Ca -0.15 -0.92 0.13 0.00 0.45 0.00 0.00 54.58 54.09 2dqg n ASN 74 Cb 0.74 -3.76 0.76 0.00 1.23 0.00 0.00 39.78 38.75 2dqg n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2dqg h LEU 75 N -1.79 0.00 -1.07 1.20 4.07 -0.49 -1.29 115.31 115.94 2dqg h LEU 75 Ca -0.64 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.32 2dqg h LEU 75 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 2dqg h LEU 75 CO 0.53 0.09 0.00 0.00 -1.08 0.00 0.00 178.44 177.98 2dqg n ASN 77 N 0.28 -3.57 -3.56 0.00 3.02 -0.49 -4.93 115.26 106.02 2dqg n ASN 77 Ca 0.16 -1.04 -0.17 0.00 -0.03 0.00 0.00 54.58 53.50 2dqg n ASN 77 Cb 0.32 -1.33 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 2dqg n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2dqg s ILE 78 N -3.55 0.00 0.19 2.41 1.10 -1.26 -5.09 121.20 115.00 2dqg s ILE 78 Ca 0.32 -0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 60.14 2dqg s ILE 78 Cb -0.18 -0.97 -0.08 0.00 0.15 0.00 0.00 42.46 41.38 2dqg s ILE 78 CO 0.81 -0.01 0.97 -2.16 -2.11 0.00 0.00 174.94 172.43 2dqg s PRO 79 N -0.87 4.77 0.54 3.50 0.04 -1.26 -1.77 135.00 139.95 2dqg s PRO 79 Ca -0.09 1.50 0.34 0.00 0.04 0.00 0.00 61.00 62.79 2dqg s PRO 79 Cb -0.01 -3.31 1.51 0.00 0.04 0.00 0.00 34.50 32.73 2dqg s PRO 79 CO 0.08 0.36 1.85 0.00 0.04 0.00 0.00 177.00 179.33 2dqg h SER 81 N 0.01 0.02 0.62 0.00 4.64 -1.91 -1.10 113.55 115.82 2dqg h SER 81 Ca 0.49 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2dqg h SER 81 Cb 1.95 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.04 2dqg h SER 81 CO -0.01 0.11 -0.01 0.00 -0.87 0.00 0.00 176.83 176.05 2dqg h ALA 82 N 1.90 1.01 -0.05 5.18 0.00 -1.35 -1.49 119.26 124.46 2dqg h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dqg h ALA 82 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dqg h ALA 82 CO 0.01 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2dqg n LEU 83 N -3.11 1.25 -0.94 0.00 4.77 -0.42 -3.63 117.00 114.92 2dqg n LEU 83 Ca -0.01 -0.45 0.09 0.00 -0.03 0.00 0.00 56.01 55.61 2dqg n LEU 83 Cb 0.22 -0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.49 2dqg n LEU 83 CO 0.25 0.22 0.67 0.18 -1.33 0.00 0.00 177.39 177.38 2dqg n LEU 84 N -0.01 3.24 -4.84 2.23 4.77 -0.56 -3.67 117.00 118.17 2dqg n LEU 84 Ca 0.19 -1.79 -0.31 0.00 -0.03 0.00 0.00 56.01 54.06 2dqg n LEU 84 Cb 0.30 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2dqg n LEU 84 CO 0.16 0.77 0.71 -0.55 -1.33 0.00 0.00 177.39 177.15 2dqg s SER 85 N -1.09 5.67 0.31 -1.43 0.15 -1.24 -4.41 113.70 111.66 2dqg s SER 85 Ca 0.33 1.55 0.26 0.00 0.70 0.00 0.00 55.95 58.79 2dqg s SER 85 Cb 0.18 -2.49 0.88 0.00 -1.71 0.00 0.00 66.02 62.88 2dqg s SER 85 CO 0.24 -1.25 1.76 0.28 1.20 0.00 0.00 173.24 175.47 2dqg h SER 86 N -0.58 0.00 -3.52 5.45 0.02 -1.94 -3.41 113.55 109.58 2dqg h SER 86 Ca -0.44 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.90 2dqg h SER 86 Cb 1.20 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 2dqg h SER 86 CO 0.59 0.00 0.13 -0.62 -1.14 0.00 0.00 176.83 175.79 2dqg s ASP 87 N -4.85 6.52 0.00 3.07 -1.08 -1.26 -4.96 116.67 114.11 2dqg s ASP 87 Ca 0.07 0.55 0.11 0.00 -0.52 0.00 0.00 52.55 52.75 2dqg s ASP 87 Cb 0.10 -2.33 0.51 0.00 -1.46 0.00 0.00 42.92 39.74 2dqg s ASP 87 CO 0.53 -0.41 1.35 2.30 0.52 0.00 0.00 175.17 179.46 2dqg n ILE 88 N 5.28 0.13 0.04 4.11 -5.35 -1.26 -4.42 119.36 117.89 2dqg n ILE 88 Ca -0.01 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 2dqg n ILE 88 Cb 0.49 0.02 -0.06 0.00 -1.74 0.00 0.00 39.64 38.35 2dqg n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2dqg h THR 89 N 0.77 0.17 -0.23 7.28 2.02 -1.93 -0.71 112.91 120.28 2dqg h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2dqg h THR 89 Cb 0.17 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2dqg h THR 89 CO 0.00 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.04 2dqg h ALA 90 N 0.06 0.30 -0.76 6.16 0.00 -1.82 -0.29 119.26 122.91 2dqg h ALA 90 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2dqg h ALA 90 Cb 0.63 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2dqg h ALA 90 CO -0.33 -0.23 0.44 0.77 0.00 0.00 0.00 179.25 179.90 2dqg h SER 91 N 0.32 0.66 0.08 0.00 0.02 -1.76 -0.58 113.55 112.28 2dqg h SER 91 Ca 0.09 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2dqg h SER 91 Cb -0.04 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2dqg h SER 91 CO -0.02 0.42 -0.04 0.58 -1.14 0.00 0.00 176.83 176.63 2dqg h VAL 92 N 0.79 1.15 -0.85 2.27 2.07 -0.86 0.05 116.25 120.86 2dqg h VAL 92 Ca 0.34 -0.85 0.16 0.00 0.82 0.00 0.00 66.70 67.17 2dqg h VAL 92 Cb 0.22 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 2dqg h VAL 92 CO -0.19 0.21 0.43 0.78 0.02 0.00 0.00 177.57 178.81 2dqg h ASN 93 N -0.49 0.50 -0.16 0.57 -0.26 -0.79 0.36 115.58 115.30 2dqg h ASN 93 Ca -0.01 0.10 -0.18 0.00 -0.56 0.00 0.00 56.30 55.65 2dqg h ASN 93 Cb 0.42 0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.71 2dqg h ASN 93 CO 0.02 0.19 -0.62 0.00 -1.06 0.00 0.00 177.43 175.95 2dqg h ALA 95 N 0.54 1.65 -0.22 0.00 0.00 -0.04 -1.25 119.26 119.95 2dqg h ALA 95 Ca -0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2dqg h ALA 95 Cb 1.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2dqg h ALA 95 CO 0.13 0.28 -0.26 0.87 0.00 0.00 0.00 179.25 180.27 2dqg h LYS 96 N 0.38 0.41 -0.21 0.00 1.57 -0.93 -0.96 116.57 116.84 2dqg h LYS 96 Ca 0.10 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2dqg h LYS 96 Cb 0.11 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2dqg h LYS 96 CO -0.01 0.64 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.96 2dqg h LYS 97 N 0.36 0.59 0.04 3.15 3.64 -1.22 -2.39 116.57 120.74 2dqg h LYS 97 Ca 0.05 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 2dqg h LYS 97 Cb 0.65 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2dqg h LYS 97 CO 0.05 0.97 -0.16 0.82 -2.27 0.00 0.00 179.45 178.85 2dqg h ILE 98 N 0.27 0.61 0.00 2.00 2.04 -0.98 -1.97 117.51 119.47 2dqg h ILE 98 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2dqg h ILE 98 Cb 0.92 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2dqg h ILE 98 CO 0.08 0.00 0.00 1.62 0.00 0.00 0.00 178.15 179.85 2dqg h VAL 99 N -0.29 0.00 0.00 1.67 3.04 -1.20 -2.05 116.25 117.42 2dqg h VAL 99 Ca 0.04 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2dqg h VAL 99 Cb 0.34 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2dqg h VAL 99 CO -0.13 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.23 2dqg n SER 100 N -2.56 0.00 -4.91 3.17 7.64 -0.74 -4.16 113.62 112.05 2dqg n SER 100 Ca 0.00 -0.38 -0.26 0.00 1.01 0.00 0.00 58.87 59.24 2dqg n SER 100 Cb 0.19 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2dqg n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqg s ASP 101 N -2.38 4.74 0.51 6.43 2.15 -0.77 -4.97 116.67 122.38 2dqg s ASP 101 Ca 0.33 0.48 0.34 0.00 0.43 0.00 0.00 52.55 54.12 2dqg s ASP 101 Cb 0.19 -1.10 1.53 0.00 -0.30 0.00 0.00 42.92 43.24 2dqg s ASP 101 CO 0.40 -1.66 2.00 1.23 -0.17 0.00 0.00 175.17 176.97 2dqg h GLY 102 N -0.67 0.00 1.73 2.66 0.00 -1.86 -2.69 103.07 102.24 2dqg h GLY 102 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2dqg h GLY 102 CO 0.60 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.84 2dqg n ASN 103 N -2.87 0.00 0.00 0.19 3.02 -1.26 -4.98 115.26 109.36 2dqg n ASN 103 Ca -0.00 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2dqg n ASN 103 Cb 0.22 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 2dqg n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dqg n GLY 104 N 1.25 1.72 0.00 7.41 0.00 -1.02 -1.23 105.19 113.32 2dqg n GLY 104 Ca 0.11 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.82 2dqg n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dqg n MET 105 N 9.33 0.57 0.00 1.61 2.81 -1.26 -2.84 117.12 127.34 2dqg n MET 105 Ca 0.00 0.02 0.05 0.00 -1.81 0.00 0.00 57.70 55.96 2dqg n MET 105 Cb 0.00 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.24 2dqg n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2dqg n ASN 106 N -1.06 0.00 0.28 7.83 3.02 -0.37 -1.61 115.26 123.36 2dqg n ASN 106 Ca 0.14 0.47 0.15 0.00 -0.03 0.00 0.00 54.58 55.32 2dqg n ASN 106 Cb 0.09 -0.48 0.84 0.00 -0.61 0.00 0.00 39.78 39.61 2dqg n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dqg h ALA 107 N 2.37 1.27 -2.36 5.41 0.00 -1.65 -3.38 119.26 120.93 2dqg h ALA 107 Ca 0.00 -0.06 -0.74 0.00 0.00 0.00 0.00 54.91 54.11 2dqg h ALA 107 Cb 0.18 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.72 2dqg h ALA 107 CO 0.00 0.08 -0.35 -1.58 0.00 0.00 0.00 179.25 177.41 2dqg s TRP 108 N -4.24 3.26 0.20 0.00 0.51 -0.63 -4.97 118.94 113.06 2dqg s TRP 108 Ca -0.03 -1.00 -0.11 0.00 -2.12 0.00 0.00 56.10 52.83 2dqg s TRP 108 Cb 0.13 -3.15 0.24 0.00 -0.81 0.00 0.00 33.47 29.89 2dqg s TRP 108 CO 0.55 -0.80 1.73 0.28 -0.51 0.00 0.00 176.95 178.19 2dqg h VAL 109 N 5.80 0.74 -0.60 4.03 2.07 -1.86 -0.29 116.25 126.13 2dqg h VAL 109 Ca -0.28 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2dqg h VAL 109 Cb 1.11 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2dqg h VAL 109 CO 0.86 0.06 0.12 0.00 0.02 0.00 0.00 177.57 178.63 2dqg h ALA 110 N 1.41 1.09 -0.60 1.67 0.00 -1.93 -0.16 119.26 120.73 2dqg h ALA 110 Ca 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dqg h ALA 110 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2dqg h ALA 110 CO -0.32 0.60 0.19 2.35 0.00 0.00 0.00 179.25 182.07 2dqg h TRP 111 N 0.90 0.97 -0.52 0.00 7.01 -1.60 0.21 115.95 122.92 2dqg h TRP 111 Ca 0.19 -0.10 -0.10 0.00 2.11 0.00 0.00 58.89 60.99 2dqg h TRP 111 Cb 0.36 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2dqg h TRP 111 CO 0.02 0.80 -0.08 -0.09 -2.79 0.00 0.00 178.44 176.31 2dqg h ARG 112 N 0.86 0.94 0.00 2.65 2.43 -0.64 0.50 114.38 121.11 2dqg h ARG 112 Ca 0.19 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2dqg h ARG 112 Cb 0.29 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2dqg h ARG 112 CO -0.01 0.97 -0.49 -0.91 -1.51 0.00 0.00 179.97 178.03 2dqg h ASN 113 N 0.85 0.00 0.00 -3.80 -0.26 -0.80 -3.37 115.58 108.20 2dqg h ASN 113 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 2dqg h ASN 113 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 2dqg h ASN 113 CO 0.04 0.09 0.00 0.54 -1.06 0.00 0.00 177.43 177.03 2dqg n ARG 114 N -2.95 3.28 0.00 0.81 5.12 0.71 -4.93 116.66 118.69 2dqg n ARG 114 Ca 0.02 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2dqg n ARG 114 Cb 0.58 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.37 2dqg n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dqg n LYS 116 N -2.67 2.08 -0.02 0.00 4.81 -0.09 -0.65 118.16 121.62 2dqg n LYS 116 Ca 0.00 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2dqg n LYS 116 Cb 0.40 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.72 2dqg n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dqg n GLY 117 N 4.87 0.33 3.98 3.14 0.00 -1.26 -4.93 105.19 111.33 2dqg n GLY 117 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2dqg n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dqg s THR 118 N -2.11 2.79 -1.29 2.61 -4.23 0.18 -4.98 115.64 108.60 2dqg s THR 118 Ca 0.00 -1.09 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 2dqg s THR 118 Cb 0.00 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2dqg s THR 118 CO 0.00 0.00 2.17 -0.67 -0.54 0.00 0.00 174.62 175.58 2dqg n ASP 119 N -1.83 3.65 -0.18 3.99 -0.08 -1.26 -4.74 116.55 116.09 2dqg n ASP 119 Ca 0.08 -2.79 0.27 0.00 -1.51 0.00 0.00 54.79 50.83 2dqg n ASP 119 Cb 0.60 -1.52 0.69 0.00 2.34 0.00 0.00 41.12 43.23 2dqg n ASP 119 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2dqg h VAL 120 N 4.09 0.58 0.00 5.18 -1.51 -1.91 0.66 116.25 123.35 2dqg h VAL 120 Ca 0.54 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.99 2dqg h VAL 120 Cb 0.64 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2dqg h VAL 120 CO 1.90 0.01 0.00 -0.61 -1.23 0.00 0.00 177.57 177.65 2dqg h GLN 121 N 0.07 0.00 -0.10 5.19 4.15 -1.86 -0.81 115.11 121.75 2dqg h GLN 121 Ca 0.43 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.86 2dqg h GLN 121 Cb 1.59 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.27 2dqg h GLN 121 CO -0.04 0.00 0.07 0.00 -1.93 0.00 0.00 178.83 176.93 2dqg h ALA 122 N 2.03 2.03 0.00 3.38 0.00 -1.24 -2.16 119.26 123.29 2dqg h ALA 122 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dqg h ALA 122 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dqg h ALA 122 CO 0.00 -0.04 0.00 0.91 0.00 0.00 0.00 179.25 180.12 2dqg n TRP 123 N -4.52 0.15 0.25 0.00 7.02 -0.31 -2.45 117.44 117.58 2dqg n TRP 123 Ca -0.01 0.06 0.03 0.00 -1.02 0.00 0.00 57.50 56.56 2dqg n TRP 123 Cb 0.14 -0.60 0.01 0.00 -2.42 0.00 0.00 31.31 28.45 2dqg n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2dqg n ILE 124 N -1.64 0.00 -2.56 -0.99 -5.35 -0.82 -4.80 119.36 103.19 2dqg n ILE 124 Ca 0.03 -0.47 -0.37 0.00 -0.27 0.00 0.00 62.75 61.67 2dqg n ILE 124 Cb 0.15 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.10 2dqg n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2dqg s ARG 125 N -0.72 4.21 -0.49 6.28 0.52 -1.02 -3.52 118.95 124.21 2dqg s ARG 125 Ca 0.06 1.50 -0.00 0.00 -0.52 0.00 0.00 55.73 56.76 2dqg s ARG 125 Cb 0.05 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.95 2dqg s ARG 125 CO 0.11 -0.10 0.05 0.41 0.02 0.00 0.00 175.30 175.79 2dqg n GLY 126 N 0.36 0.19 3.15 -3.53 0.00 -1.26 -5.04 105.19 99.04 2dqg n GLY 126 Ca 0.05 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2dqg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqg s ARG 128 N -0.86 3.70 0.00 0.00 1.81 -1.26 -5.14 118.95 117.20 2dqg s ARG 128 Ca 0.04 0.20 0.24 0.00 -1.72 0.00 0.00 55.73 54.49 2dqg s ARG 128 Cb -0.07 -3.82 0.21 0.00 -0.45 0.00 0.00 34.95 30.82 2dqg s ARG 128 CO 0.01 -0.84 1.27 1.28 -0.68 0.00 0.00 175.30 176.33