#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cgi s VAL 2 N 0.00 5.26 0.46 3.15 1.01 -1.26 -0.67 120.40 128.34 2cgi s VAL 2 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2cgi s VAL 2 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2cgi s VAL 2 CO 0.00 -0.25 1.03 -0.36 0.00 0.00 0.00 175.10 175.51 2cgi s PHE 3 N 1.69 3.11 0.67 5.22 0.40 -0.21 -4.99 117.98 123.86 2cgi s PHE 3 Ca 0.05 1.60 -0.13 0.00 -0.60 0.00 0.00 56.93 57.85 2cgi s PHE 3 Cb -0.19 -3.05 -0.00 0.00 0.51 0.00 0.00 43.02 40.29 2cgi s PHE 3 CO 0.10 -0.68 1.07 0.20 0.70 0.00 0.00 175.22 176.61 2cgi s GLY 4 N -1.90 1.87 0.10 4.36 0.00 -1.26 -4.84 107.32 105.66 2cgi s GLY 4 Ca 0.64 0.26 -0.32 0.00 0.00 0.00 0.00 44.72 45.30 2cgi s GLY 4 CO 0.21 0.58 1.59 -0.09 0.00 0.00 0.00 173.10 175.39 2cgi h ARG 5 N -0.30 -0.73 -0.06 2.90 2.43 -1.97 0.18 114.38 116.83 2cgi h ARG 5 Ca -0.45 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 2cgi h ARG 5 Cb 1.22 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2cgi h ARG 5 CO 0.56 -0.49 -0.45 0.00 -1.51 0.00 0.00 179.97 178.08 2cgi h GLU 7 N 0.11 0.79 -0.40 0.00 4.81 -1.89 -1.03 114.58 116.97 2cgi h GLU 7 Ca 0.01 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 2cgi h GLU 7 Cb 0.84 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2cgi h GLU 7 CO 0.06 0.55 -0.28 1.25 -0.73 0.00 0.00 179.01 179.86 2cgi h LEU 8 N 0.80 0.95 -0.47 1.64 5.85 -0.74 -1.71 115.31 121.63 2cgi h LEU 8 Ca 0.22 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2cgi h LEU 8 Cb -0.06 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 2cgi h LEU 8 CO -0.04 1.18 0.16 0.00 -0.34 0.00 0.00 178.44 179.40 2cgi h ALA 9 N 0.80 0.57 -0.60 1.25 0.00 -1.11 0.14 119.26 120.32 2cgi h ALA 9 Ca 0.08 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2cgi h ALA 9 Cb 0.86 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2cgi h ALA 9 CO 0.08 -0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.23 2cgi h ALA 10 N 1.32 0.79 -0.57 0.00 0.00 -1.09 -1.16 119.26 118.55 2cgi h ALA 10 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2cgi h ALA 10 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2cgi h ALA 10 CO -0.24 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.60 2cgi h ALA 11 N 1.03 0.76 -0.76 0.00 0.00 -0.78 -0.57 119.26 118.95 2cgi h ALA 11 Ca 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2cgi h ALA 11 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2cgi h ALA 11 CO 0.00 0.52 0.32 0.52 0.00 0.00 0.00 179.25 180.61 2cgi h MET 12 N 0.85 1.12 -0.41 0.00 2.86 -0.56 -1.98 114.93 116.81 2cgi h MET 12 Ca 0.17 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2cgi h MET 12 Cb 0.44 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2cgi h MET 12 CO 0.01 0.91 0.08 -0.22 1.06 0.00 0.00 176.91 178.75 2cgi h LYS 13 N 1.09 0.66 -0.75 1.72 3.64 -0.96 -1.40 116.57 120.57 2cgi h LYS 13 Ca 0.25 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2cgi h LYS 13 Cb 0.19 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 2cgi h LYS 13 CO -0.02 0.70 0.49 -0.09 -2.27 0.00 0.00 179.45 178.26 2cgi h ARG 14 N 0.52 0.81 -0.27 1.90 2.43 -0.90 -1.20 114.38 117.67 2cgi h ARG 14 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2cgi h ARG 14 Cb 0.35 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2cgi h ARG 14 CO 0.01 0.54 0.00 0.72 -1.51 0.00 0.00 179.97 179.72 2cgi n HIS 15 N -4.47 0.36 -1.15 2.20 8.25 -0.76 -4.92 115.22 114.72 2cgi n HIS 15 Ca 0.11 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2cgi n HIS 15 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2cgi n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cgi n GLY 16 N 0.98 0.52 0.13 -1.41 0.00 -0.45 -4.95 105.19 100.01 2cgi n GLY 16 Ca 0.11 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.36 2cgi n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2cgi h LEU 17 N 0.00 0.00 -9.07 0.99 5.85 -1.46 -3.40 115.31 108.22 2cgi h LEU 17 Ca 0.00 -0.01 -0.57 0.00 0.84 0.00 0.00 57.88 58.14 2cgi h LEU 17 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2cgi h LEU 17 CO 0.00 0.00 1.40 -0.62 -0.34 0.00 0.00 178.44 178.88 2cgi s ASP 18 N -5.48 5.77 -1.14 1.25 2.15 -1.26 -1.46 116.67 116.49 2cgi s ASP 18 Ca 0.01 2.02 0.00 0.00 0.43 0.00 0.00 52.55 55.01 2cgi s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2cgi s ASP 18 CO 0.76 -1.69 0.00 -3.20 -0.17 0.00 0.00 175.17 170.87 2cgi n ASN 19 N 10.45 -4.83 -4.71 -0.34 5.15 -0.37 -4.90 115.26 115.71 2cgi n ASN 19 Ca 0.26 0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 54.09 2cgi n ASN 19 Cb 0.44 -3.28 -0.03 0.00 -0.53 0.00 0.00 39.78 36.38 2cgi n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2cgi s TYR 20 N -2.22 2.95 -1.33 1.20 5.04 -0.54 -1.22 117.35 121.22 2cgi s TYR 20 Ca 0.00 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2cgi s TYR 20 Cb 0.00 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.45 2cgi s TYR 20 CO 0.00 -3.22 0.00 0.54 -1.34 0.00 0.00 175.55 171.53 2cgi n ARG 21 N 4.42 -1.82 -0.79 4.97 5.12 -1.26 -1.48 116.66 125.83 2cgi n ARG 21 Ca 0.14 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 2cgi n ARG 21 Cb 0.40 -5.24 0.00 0.00 -1.16 0.00 0.00 32.46 26.46 2cgi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cgi n GLY 22 N -0.64 0.69 3.51 -0.13 0.00 -0.36 -5.02 105.19 103.23 2cgi n GLY 22 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2cgi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cgi s TYR 23 N -2.45 3.20 0.85 1.61 2.02 -0.55 -4.90 117.35 117.13 2cgi s TYR 23 Ca 0.00 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 2cgi s TYR 23 Cb 0.00 -2.74 0.11 0.00 -0.40 0.00 0.00 41.96 38.93 2cgi s TYR 23 CO 0.00 -0.56 1.18 -1.13 -1.57 0.00 0.00 175.55 173.47 2cgi n SER 24 N 5.43 0.78 -0.33 2.29 3.41 -1.26 -1.24 113.62 122.69 2cgi n SER 24 Ca -0.09 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 2cgi n SER 24 Cb 0.48 -1.50 0.36 0.00 -0.26 0.00 0.00 64.21 63.30 2cgi n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2cgi h LEU 25 N -1.28 0.70 -1.57 1.04 5.85 -1.90 -0.15 115.31 118.00 2cgi h LEU 25 Ca -0.45 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2cgi h LEU 25 Cb 1.29 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2cgi h LEU 25 CO 0.44 0.25 0.28 1.23 -0.34 0.00 0.00 178.44 180.31 2cgi h GLY 26 N 0.69 0.61 1.00 3.75 0.00 -1.91 -1.22 103.07 105.99 2cgi h GLY 26 Ca 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 2cgi h GLY 26 CO -0.33 0.22 0.32 3.43 0.00 0.00 0.00 176.54 180.18 2cgi h ASN 27 N 0.58 0.83 -0.37 0.19 2.35 -1.25 -0.52 115.58 117.39 2cgi h ASN 27 Ca 0.16 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 2cgi h ASN 27 Cb -0.06 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2cgi h ASN 27 CO -0.03 0.72 -0.28 -0.50 -1.65 0.00 0.00 177.43 175.69 2cgi h TRP 28 N 0.88 0.99 -0.45 1.19 4.06 -1.28 -1.22 115.95 120.12 2cgi h TRP 28 Ca 0.22 -0.27 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 2cgi h TRP 28 Cb 0.10 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 2cgi h TRP 28 CO 0.00 1.06 0.01 0.28 -3.56 0.00 0.00 178.44 176.23 2cgi h VAL 29 N 0.64 1.26 -0.28 1.49 2.07 -1.20 -1.46 116.25 118.77 2cgi h VAL 29 Ca 0.07 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2cgi h VAL 29 Cb 0.85 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2cgi h VAL 29 CO 0.07 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.18 2cgi h ALA 31 N 1.13 0.56 -0.45 0.00 0.00 -1.10 -2.44 119.26 116.95 2cgi h ALA 31 Ca 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2cgi h ALA 31 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2cgi h ALA 31 CO -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.09 2cgi h ALA 32 N 1.24 1.19 -0.20 0.00 0.00 -0.93 0.10 119.26 120.66 2cgi h ALA 32 Ca 0.19 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2cgi h ALA 32 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2cgi h ALA 32 CO -0.13 0.53 0.00 -0.22 0.00 0.00 0.00 179.25 179.43 2cgi h LYS 33 N 0.69 0.07 0.00 0.00 1.63 -0.56 -0.88 116.57 117.52 2cgi h LYS 33 Ca 0.14 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2cgi h LYS 33 Cb 0.39 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2cgi h LYS 33 CO 0.01 0.04 -0.60 0.74 -3.45 0.00 0.00 179.45 176.20 2cgi h PHE 34 N 0.07 0.00 0.04 1.91 0.04 -1.22 0.95 116.94 118.73 2cgi h PHE 34 Ca 0.10 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.63 2cgi h PHE 34 Cb 0.12 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.29 2cgi h PHE 34 CO -0.17 0.06 -0.93 0.93 -0.60 0.00 0.00 178.31 177.59 2cgi h GLU 35 N 0.00 0.56 0.00 1.51 4.39 -0.89 -3.43 114.58 116.72 2cgi h GLU 35 Ca -0.01 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.04 2cgi h GLU 35 Cb 1.05 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2cgi h GLU 35 CO 0.01 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 2cgi n SER 36 N -3.98 0.07 -3.00 1.42 3.41 -0.36 -4.82 113.62 106.36 2cgi n SER 36 Ca -0.12 -0.62 -0.21 0.00 -0.26 0.00 0.00 58.87 57.67 2cgi n SER 36 Cb 0.83 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.84 2cgi n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2cgi n ASN 37 N -0.05 -4.67 -0.47 4.04 5.15 0.33 -1.82 115.26 117.78 2cgi n ASN 37 Ca 0.00 -0.21 -0.06 0.00 -0.60 0.00 0.00 54.58 53.71 2cgi n ASN 37 Cb 0.13 -3.85 -0.03 0.00 -0.53 0.00 0.00 39.78 35.51 2cgi n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2cgi n PHE 38 N -4.02 0.00 -3.32 1.20 3.72 -1.21 -4.82 117.46 109.02 2cgi n PHE 38 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 2cgi n PHE 38 Cb 0.59 -1.48 -0.09 0.00 -0.94 0.00 0.00 39.48 37.56 2cgi n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2cgi s ASN 39 N -2.61 6.22 0.59 4.37 3.84 -0.75 -1.04 114.94 125.55 2cgi s ASN 39 Ca 0.00 -0.40 0.34 0.00 0.21 0.00 0.00 52.86 53.01 2cgi s ASN 39 Cb 0.00 -2.23 1.88 0.00 -0.55 0.00 0.00 41.25 40.36 2cgi s ASN 39 CO 0.00 -0.50 2.23 0.71 -2.79 0.00 0.00 177.10 176.75 2cgi h THR 40 N 5.66 0.34 -0.20 -5.21 1.35 -1.21 -2.70 112.91 110.94 2cgi h THR 40 Ca -0.28 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2cgi h THR 40 Cb 1.12 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2cgi h THR 40 CO 0.76 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 176.07 2cgi n GLN 41 N -3.51 1.85 -1.74 4.72 6.02 -1.26 -3.92 117.38 119.55 2cgi n GLN 41 Ca -0.02 -1.28 -0.42 0.00 -0.01 0.00 0.00 57.00 55.27 2cgi n GLN 41 Cb 0.13 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 2cgi n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cgi n ALA 42 N 0.51 2.75 -2.83 -1.58 0.00 -1.02 -4.81 120.51 113.53 2cgi n ALA 42 Ca 0.16 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 2cgi n ALA 42 Cb 0.37 -2.50 -0.12 0.00 0.00 0.00 0.00 19.45 17.20 2cgi n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2cgi s THR 43 N 0.53 0.57 -0.12 0.00 -4.23 -1.26 -0.53 115.64 110.60 2cgi s THR 43 Ca 0.69 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 2cgi s THR 43 Cb -0.49 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 72.79 2cgi s THR 43 CO 0.41 -0.28 0.26 0.21 -0.54 0.00 0.00 174.62 174.68 2cgi s ASN 44 N -1.35 -0.06 0.02 3.99 2.47 -0.65 -4.97 114.94 114.40 2cgi s ASN 44 Ca -0.07 0.57 -0.30 0.00 0.42 0.00 0.00 52.86 53.48 2cgi s ASN 44 Cb -0.09 0.53 -0.04 0.00 -1.45 0.00 0.00 41.25 40.21 2cgi s ASN 44 CO 0.00 -0.19 0.97 -0.60 -3.72 0.00 0.00 177.10 173.56 2cgi s ARG 45 N 1.69 4.59 0.43 0.43 6.06 -1.26 -0.43 118.95 130.45 2cgi s ARG 45 Ca -0.06 1.41 -0.02 0.00 -2.50 0.00 0.00 55.73 54.57 2cgi s ARG 45 Cb -0.11 -3.44 -0.02 0.00 0.06 0.00 0.00 34.95 31.44 2cgi s ARG 45 CO -0.09 0.01 0.68 -0.80 -2.50 0.00 0.00 175.30 172.61 2cgi s ASN 46 N 0.77 6.11 0.38 -2.12 0.02 0.66 -4.97 114.94 115.79 2cgi s ASN 46 Ca 0.50 0.58 0.08 0.00 -1.02 0.00 0.00 52.86 53.00 2cgi s ASN 46 Cb -0.21 -1.95 0.82 0.00 0.02 0.00 0.00 41.25 39.93 2cgi s ASN 46 CO 0.28 -0.55 1.97 0.71 0.02 0.00 0.00 177.10 179.53 2cgi h THR 47 N 0.43 0.99 0.00 1.60 1.35 -1.97 -1.67 112.91 113.64 2cgi h THR 47 Ca -0.48 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2cgi h THR 47 Cb 1.23 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2cgi h THR 47 CO 0.60 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 2cgi n ASP 48 N -4.48 0.00 0.00 5.36 5.75 -1.26 -4.88 116.55 117.04 2cgi n ASP 48 Ca 0.10 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 2cgi n ASP 48 Cb 0.26 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2cgi n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cgi n GLY 49 N 0.94 0.42 3.76 6.12 0.00 -0.63 -5.00 105.19 110.80 2cgi n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2cgi n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cgi s SER 50 N -2.30 3.43 0.01 1.61 1.04 -1.26 -4.76 113.70 111.48 2cgi s SER 50 Ca 0.00 1.09 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2cgi s SER 50 Cb 0.00 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 2cgi s SER 50 CO 0.00 -2.61 -0.07 -0.89 0.98 0.00 0.00 173.24 170.65 2cgi s THR 51 N -3.17 0.53 -0.13 2.02 2.01 -1.26 -0.25 115.64 115.39 2cgi s THR 51 Ca 0.64 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 2cgi s THR 51 Cb -0.16 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 2cgi s THR 51 CO 0.55 -0.02 0.15 -1.81 -0.69 0.00 0.00 174.62 172.79 2cgi s ASP 52 N -0.61 6.37 -0.05 3.53 1.01 0.42 -1.07 116.67 126.27 2cgi s ASP 52 Ca -0.01 0.44 0.03 0.00 0.71 0.00 0.00 52.55 53.71 2cgi s ASP 52 Cb -0.05 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.81 2cgi s ASP 52 CO 0.00 0.36 -0.13 -0.31 0.21 0.00 0.00 175.17 175.31 2cgi s TYR 53 N -0.76 1.38 0.00 4.23 2.02 -0.07 -1.63 117.35 122.52 2cgi s TYR 53 Ca 0.14 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2cgi s TYR 53 Cb -0.12 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.46 2cgi s TYR 53 CO 0.03 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 2cgi n GLY 54 N 3.48 -2.00 0.27 0.71 0.00 0.31 -1.54 105.19 106.43 2cgi n GLY 54 Ca -0.20 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.21 2cgi n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2cgi h ILE 55 N 0.00 0.98 -0.23 -0.61 3.07 -1.73 -1.52 117.51 117.47 2cgi h ILE 55 Ca 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2cgi h ILE 55 Cb 0.00 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 2cgi h ILE 55 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 2cgi n LEU 56 N -4.52 3.19 -3.79 0.16 4.77 -1.26 -3.99 117.00 111.55 2cgi n LEU 56 Ca -0.02 -2.58 -0.30 0.00 -0.03 0.00 0.00 56.01 53.08 2cgi n LEU 56 Cb 0.14 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2cgi n LEU 56 CO 0.34 0.68 -0.13 0.00 -1.33 0.00 0.00 177.39 176.96 2cgi n GLN 57 N -0.28 -1.91 -2.78 3.23 1.13 -0.57 -4.90 117.38 111.31 2cgi n GLN 57 Ca 0.15 0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 55.23 2cgi n GLN 57 Cb 0.64 -4.18 -0.04 0.00 0.11 0.00 0.00 30.24 26.77 2cgi n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2cgi s ILE 58 N -3.62 4.55 0.02 5.09 1.01 -0.59 -4.35 121.20 123.30 2cgi s ILE 58 Ca 0.32 1.99 -0.14 0.00 0.00 0.00 0.00 60.65 62.82 2cgi s ILE 58 Cb -0.12 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 2cgi s ILE 58 CO 0.87 0.32 0.41 0.54 0.00 0.00 0.00 174.94 177.09 2cgi s ASN 59 N -0.00 6.79 0.08 3.58 2.20 -1.26 -0.89 114.94 125.44 2cgi s ASN 59 Ca 0.45 0.95 0.21 0.00 -0.94 0.00 0.00 52.86 53.53 2cgi s ASN 59 Cb -0.23 -2.24 0.86 0.00 -2.00 0.00 0.00 41.25 37.64 2cgi s ASN 59 CO 0.29 0.30 1.66 -1.54 -2.94 0.00 0.00 177.10 174.86 2cgi n SER 60 N 1.66 0.23 -0.07 3.54 3.41 -0.23 -1.90 113.62 120.26 2cgi n SER 60 Ca -0.13 0.54 0.01 0.00 -0.26 0.00 0.00 58.87 59.04 2cgi n SER 60 Cb 0.52 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 64.19 2cgi n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2cgi h ARG 61 N 0.00 0.68 0.00 4.33 9.65 -1.83 -3.38 114.38 123.82 2cgi h ARG 61 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2cgi h ARG 61 Cb 0.38 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2cgi h ARG 61 CO 0.00 0.53 -0.79 0.91 2.80 0.00 0.00 179.97 183.42 2cgi n TRP 62 N -4.38 0.00 -0.04 2.20 7.02 -1.21 -1.23 117.44 119.79 2cgi n TRP 62 Ca 0.04 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.50 2cgi n TRP 62 Cb 0.13 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.92 2cgi n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2cgi n TRP 63 N -1.80 0.00 -4.01 -5.99 7.02 -0.80 -0.86 117.44 111.00 2cgi n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2cgi n TRP 63 Cb 0.40 -0.50 -0.09 0.00 -2.42 0.00 0.00 31.31 28.70 2cgi n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2cgi s ASN 65 N -2.94 6.04 0.00 0.00 2.47 -0.22 -4.57 114.94 115.72 2cgi s ASN 65 Ca 0.13 0.06 0.02 0.00 0.42 0.00 0.00 52.86 53.49 2cgi s ASN 65 Cb 0.06 -2.10 0.04 0.00 -1.45 0.00 0.00 41.25 37.80 2cgi s ASN 65 CO -0.05 0.02 0.77 -0.90 -3.72 0.00 0.00 177.10 173.22 2cgi n ASP 66 N 4.57 1.61 0.00 -4.21 5.68 -1.26 -0.91 116.55 122.02 2cgi n ASP 66 Ca -0.15 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 2cgi n ASP 66 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 2cgi n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cgi n GLY 67 N -0.03 0.46 0.74 6.12 0.00 -1.26 -4.80 105.19 106.42 2cgi n GLY 67 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2cgi n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2cgi n ARG 68 N -1.74 0.21 -3.85 1.61 1.85 -1.26 -4.97 116.66 108.51 2cgi n ARG 68 Ca 0.00 -1.55 -0.29 0.00 -1.00 0.00 0.00 57.85 55.00 2cgi n ARG 68 Cb 0.07 -0.52 -0.13 0.00 -1.05 0.00 0.00 32.46 30.83 2cgi n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2cgi s THR 69 N -0.46 2.18 0.23 8.89 2.01 -1.26 -4.83 115.64 122.40 2cgi s THR 69 Ca 0.15 -3.22 -0.31 0.00 0.31 0.00 0.00 61.69 58.61 2cgi s THR 69 Cb 0.16 -2.50 -0.14 0.00 0.01 0.00 0.00 72.50 70.03 2cgi s THR 69 CO -0.05 -0.88 1.38 -2.65 -0.69 0.00 0.00 174.62 171.73 2cgi n PRO 70 N 3.04 1.93 -0.93 4.92 -0.02 -1.26 -2.10 135.00 140.58 2cgi n PRO 70 Ca 0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2cgi n PRO 70 Cb 0.34 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2cgi n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cgi n GLY 71 N 2.15 0.52 3.88 -1.23 0.00 -1.26 -5.00 105.19 104.25 2cgi n GLY 71 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2cgi n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cgi s SER 72 N -2.33 4.03 0.48 1.61 1.04 -0.89 -5.07 113.70 112.58 2cgi s SER 72 Ca 0.00 0.73 0.04 0.00 0.48 0.00 0.00 55.95 57.20 2cgi s SER 72 Cb 0.00 -1.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.94 2cgi s SER 72 CO 0.00 -2.20 0.12 -0.13 0.98 0.00 0.00 173.24 172.01 2cgi s ARG 73 N -5.57 2.18 -0.41 4.02 1.81 -0.37 -4.99 118.95 115.61 2cgi s ARG 73 Ca 0.64 -2.16 0.09 0.00 -1.72 0.00 0.00 55.73 52.58 2cgi s ARG 73 Cb -0.10 -1.76 0.27 0.00 -0.45 0.00 0.00 34.95 32.91 2cgi s ARG 73 CO 0.51 -0.31 0.59 -1.71 -0.68 0.00 0.00 175.30 173.69 2cgi n ASN 74 N -1.31 0.67 0.25 0.23 5.15 -1.17 -3.68 115.26 115.40 2cgi n ASN 74 Ca -0.10 -2.84 0.14 0.00 -0.60 0.00 0.00 54.58 51.19 2cgi n ASN 74 Cb 0.66 -0.64 0.51 0.00 -0.53 0.00 0.00 39.78 39.78 2cgi n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2cgi h LEU 75 N 3.78 0.00 -0.58 1.20 3.38 -0.98 -1.35 115.31 120.76 2cgi h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2cgi h LEU 75 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2cgi h LEU 75 CO 0.50 0.08 -0.10 0.00 0.09 0.00 0.00 178.44 179.01 2cgi n ASN 77 N -0.42 -1.44 -3.89 0.00 5.15 -0.51 -4.98 115.26 109.16 2cgi n ASN 77 Ca 0.16 -0.79 -0.11 0.00 -0.60 0.00 0.00 54.58 53.25 2cgi n ASN 77 Cb 0.31 -4.25 -0.10 0.00 -0.53 0.00 0.00 39.78 35.21 2cgi n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2cgi s ILE 78 N -3.61 0.10 0.34 -1.44 -4.36 -1.26 -5.07 121.20 105.90 2cgi s ILE 78 Ca 0.01 -0.81 -0.28 0.00 -0.26 0.00 0.00 60.65 59.32 2cgi s ILE 78 Cb -0.00 -0.55 -0.10 0.00 1.25 0.00 0.00 42.46 43.06 2cgi s ILE 78 CO 0.80 -0.44 1.24 -2.16 0.24 0.00 0.00 174.94 174.61 2cgi s PRO 79 N -1.74 4.32 0.52 0.37 0.04 -1.26 -1.05 135.00 136.20 2cgi s PRO 79 Ca -0.12 2.07 0.21 0.00 0.04 0.00 0.00 61.00 63.20 2cgi s PRO 79 Cb -0.06 -3.00 1.32 0.00 0.04 0.00 0.00 34.50 32.80 2cgi s PRO 79 CO -0.00 -0.16 2.04 0.00 0.04 0.00 0.00 177.00 178.92 2cgi h SER 81 N 0.05 0.00 0.26 0.00 4.64 -1.91 -0.66 113.55 115.93 2cgi h SER 81 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2cgi h SER 81 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2cgi h SER 81 CO -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.87 2cgi h ALA 82 N 1.86 1.35 0.00 5.18 0.00 -1.47 -1.11 119.26 125.07 2cgi h ALA 82 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cgi h ALA 82 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2cgi h ALA 82 CO -0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2cgi n LEU 83 N -3.68 0.00 -0.62 0.00 4.77 -0.25 -3.17 117.00 114.04 2cgi n LEU 83 Ca -0.02 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.20 2cgi n LEU 83 Cb 0.19 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2cgi n LEU 83 CO 0.29 -0.02 0.44 0.18 -1.33 0.00 0.00 177.39 176.95 2cgi n LEU 84 N -1.15 2.26 -4.74 2.23 4.77 -0.42 -3.78 117.00 116.17 2cgi n LEU 84 Ca 0.16 -0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 54.90 2cgi n LEU 84 Cb 0.15 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2cgi n LEU 84 CO 0.18 0.40 0.82 -0.55 -1.33 0.00 0.00 177.39 176.91 2cgi s SER 85 N -1.84 4.78 0.54 -1.43 0.15 -1.19 -4.13 113.70 110.58 2cgi s SER 85 Ca 0.20 2.34 0.25 0.00 0.70 0.00 0.00 55.95 59.44 2cgi s SER 85 Cb 0.16 -2.59 1.52 0.00 -1.71 0.00 0.00 66.02 63.40 2cgi s SER 85 CO 0.34 -1.87 2.15 0.77 1.20 0.00 0.00 173.24 175.83 2cgi h SER 86 N 0.33 0.00 -3.42 5.45 4.64 -1.94 -3.40 113.55 115.21 2cgi h SER 86 Ca -0.49 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.23 2cgi h SER 86 Cb 1.29 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 2cgi h SER 86 CO 0.53 0.06 0.34 -0.62 -0.87 0.00 0.00 176.83 176.27 2cgi s ASP 87 N -6.42 6.66 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.59 2cgi s ASP 87 Ca -0.04 0.71 0.20 0.00 -0.52 0.00 0.00 52.55 52.90 2cgi s ASP 87 Cb 0.15 -2.39 1.03 0.00 -1.46 0.00 0.00 42.92 40.25 2cgi s ASP 87 CO 0.60 -0.54 1.68 2.30 0.52 0.00 0.00 175.17 179.73 2cgi n ILE 88 N 5.41 0.06 -0.09 4.11 -5.35 -1.26 -4.36 119.36 117.87 2cgi n ILE 88 Ca 0.03 -0.10 -0.06 0.00 -0.27 0.00 0.00 62.75 62.35 2cgi n ILE 88 Cb 0.48 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 2cgi n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2cgi h THR 89 N 0.66 0.53 -0.52 7.28 2.02 -1.94 0.14 112.91 121.08 2cgi h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2cgi h THR 89 Cb 0.14 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2cgi h THR 89 CO 0.00 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.14 2cgi h ALA 90 N 1.18 0.67 -0.64 6.16 0.00 -1.84 0.11 119.26 124.90 2cgi h ALA 90 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2cgi h ALA 90 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2cgi h ALA 90 CO -0.40 0.23 0.42 0.77 0.00 0.00 0.00 179.25 180.27 2cgi h SER 91 N 0.70 0.75 -0.12 0.00 0.02 -1.68 -1.40 113.55 111.81 2cgi h SER 91 Ca 0.18 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2cgi h SER 91 Cb 0.12 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2cgi h SER 91 CO -0.02 0.55 0.01 0.58 -1.14 0.00 0.00 176.83 176.81 2cgi h VAL 92 N 0.87 1.23 -0.89 2.27 2.07 -0.58 0.51 116.25 121.73 2cgi h VAL 92 Ca 0.23 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2cgi h VAL 92 Cb -0.08 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2cgi h VAL 92 CO -0.05 0.22 0.56 0.78 0.02 0.00 0.00 177.57 179.10 2cgi h ASN 93 N -0.03 1.04 -0.23 0.57 2.35 -0.90 -0.47 115.58 117.92 2cgi h ASN 93 Ca 0.04 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2cgi h ASN 93 Cb 0.32 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2cgi h ASN 93 CO 0.00 0.78 -0.51 0.00 -1.65 0.00 0.00 177.43 176.05 2cgi h ALA 95 N 0.62 1.70 -0.77 0.00 0.00 -0.42 -0.89 119.26 119.50 2cgi h ALA 95 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2cgi h ALA 95 Cb 1.12 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2cgi h ALA 95 CO 0.11 0.16 0.47 0.87 0.00 0.00 0.00 179.25 180.86 2cgi h LYS 96 N 0.79 1.04 -0.34 0.00 1.57 -0.98 -0.19 116.57 118.46 2cgi h LYS 96 Ca 0.35 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2cgi h LYS 96 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2cgi h LYS 96 CO -0.13 0.73 0.07 -0.22 -0.57 0.00 0.00 179.45 179.34 2cgi h LYS 97 N 1.05 0.56 -0.05 3.15 3.64 -1.16 -2.81 116.57 120.95 2cgi h LYS 97 Ca 0.28 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2cgi h LYS 97 Cb -0.05 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2cgi h LYS 97 CO -0.05 0.62 0.02 0.82 -2.27 0.00 0.00 179.45 178.59 2cgi h ILE 98 N 0.40 1.00 0.00 2.00 2.04 -0.86 -2.32 117.51 119.77 2cgi h ILE 98 Ca 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2cgi h ILE 98 Cb 0.32 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2cgi h ILE 98 CO 0.00 0.01 0.00 0.55 0.00 0.00 0.00 178.15 178.71 2cgi n VAL 99 N -5.07 0.88 1.34 1.67 3.14 -0.11 -1.44 118.33 118.73 2cgi n VAL 99 Ca -0.06 0.32 0.13 0.00 -2.96 0.00 0.00 64.34 61.78 2cgi n VAL 99 Cb 0.04 -1.26 0.40 0.00 -1.06 0.00 0.00 33.84 31.95 2cgi n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2cgi n SER 100 N -2.23 1.95 0.14 6.55 7.64 -0.89 -3.73 113.62 123.05 2cgi n SER 100 Ca 0.01 -1.65 0.13 0.00 1.01 0.00 0.00 58.87 58.37 2cgi n SER 100 Cb 0.19 -0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.85 2cgi n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2cgi h ASP 101 N 3.05 0.00 0.00 6.43 3.58 -1.06 -3.47 116.42 124.95 2cgi h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2cgi h ASP 101 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2cgi h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2cgi n GLY 102 N 0.54 2.04 1.03 -0.78 0.00 -1.26 -4.97 105.19 101.79 2cgi n GLY 102 Ca 0.03 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.96 2cgi n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cgi n ASN 103 N 0.00 3.75 0.00 1.61 3.02 -1.26 -5.06 115.26 117.31 2cgi n ASN 103 Ca 0.00 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 2cgi n ASN 103 Cb 0.00 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2cgi n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cgi n GLY 104 N 0.59 2.50 0.00 7.41 0.00 -1.24 -1.97 105.19 112.49 2cgi n GLY 104 Ca 0.19 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.99 2cgi n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cgi n MET 105 N 13.11 0.65 0.24 1.61 2.81 -1.26 -2.93 117.12 131.35 2cgi n MET 105 Ca 0.00 0.01 0.17 0.00 -1.81 0.00 0.00 57.70 56.07 2cgi n MET 105 Cb 0.00 -1.50 0.86 0.00 -0.71 0.00 0.00 33.22 31.87 2cgi n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2cgi h ASN 106 N 0.00 0.00 -0.49 7.83 4.21 -1.81 -1.30 115.58 124.02 2cgi h ASN 106 Ca 0.00 0.00 0.13 0.00 1.21 0.00 0.00 56.30 57.64 2cgi h ASN 106 Cb 0.15 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 2cgi h ASN 106 CO 0.00 0.00 0.35 0.00 -1.29 0.00 0.00 177.43 176.49 2cgi h ALA 107 N 2.02 2.39 -1.98 -0.83 0.00 -1.68 -3.31 119.26 115.87 2cgi h ALA 107 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.20 2cgi h ALA 107 Cb 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.70 2cgi h ALA 107 CO 0.00 -0.52 0.10 -1.58 0.00 0.00 0.00 179.25 177.25 2cgi s TRP 108 N -5.07 3.01 0.30 0.00 0.51 -0.49 -4.94 118.94 112.25 2cgi s TRP 108 Ca -0.05 -0.75 0.01 0.00 -2.12 0.00 0.00 56.10 53.19 2cgi s TRP 108 Cb 0.19 -3.81 0.54 0.00 -0.81 0.00 0.00 33.47 29.59 2cgi s TRP 108 CO 0.73 -1.19 1.88 0.28 -0.51 0.00 0.00 176.95 178.14 2cgi h VAL 109 N 5.90 1.01 -0.28 4.03 2.07 -1.83 -0.64 116.25 126.51 2cgi h VAL 109 Ca -0.29 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 2cgi h VAL 109 Cb 1.09 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2cgi h VAL 109 CO 1.04 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 178.72 2cgi h ALA 110 N 1.52 1.32 -0.10 1.67 0.00 -1.92 0.10 119.26 121.85 2cgi h ALA 110 Ca 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cgi h ALA 110 Cb 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2cgi h ALA 110 CO -0.19 0.46 0.06 2.35 0.00 0.00 0.00 179.25 181.92 2cgi h TRP 111 N 0.43 0.14 -0.78 0.00 7.01 -1.43 0.38 115.95 121.69 2cgi h TRP 111 Ca 0.08 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2cgi h TRP 111 Cb 0.44 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 2cgi h TRP 111 CO 0.01 0.17 0.52 -0.09 -2.79 0.00 0.00 178.44 176.26 2cgi h ARG 112 N 0.08 1.04 0.00 2.65 2.43 -0.72 0.15 114.38 120.01 2cgi h ARG 112 Ca 0.04 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2cgi h ARG 112 Cb 0.07 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2cgi h ARG 112 CO -0.01 0.69 -0.57 -0.91 -1.51 0.00 0.00 179.97 177.66 2cgi h ASN 113 N 1.06 0.00 0.00 -3.80 2.35 -0.89 -3.37 115.58 110.94 2cgi h ASN 113 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2cgi h ASN 113 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2cgi h ASN 113 CO -0.06 0.25 -0.29 0.54 -1.65 0.00 0.00 177.43 176.22 2cgi n ARG 114 N -3.03 3.42 -0.01 0.81 1.74 0.11 -4.90 116.66 114.80 2cgi n ARG 114 Ca 0.01 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2cgi n ARG 114 Cb 0.65 -0.55 -0.01 0.00 -1.02 0.00 0.00 32.46 31.53 2cgi n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cgi n LYS 116 N -2.79 1.54 -0.38 0.00 4.81 0.31 -1.34 118.16 120.32 2cgi n LYS 116 Ca -0.05 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2cgi n LYS 116 Cb 0.54 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.32 2cgi n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cgi n GLY 117 N 3.43 1.98 3.98 3.14 0.00 -1.26 -4.96 105.19 111.49 2cgi n GLY 117 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2cgi n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cgi s THR 118 N -3.28 2.31 -1.29 2.61 -4.23 -0.45 -4.96 115.64 106.35 2cgi s THR 118 Ca 0.00 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.79 2cgi s THR 118 Cb 0.00 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2cgi s THR 118 CO 0.00 0.00 2.05 -0.67 -0.54 0.00 0.00 174.62 175.46 2cgi n ASP 119 N -2.74 3.80 0.30 3.99 2.03 -1.26 -4.74 116.55 117.94 2cgi n ASP 119 Ca 0.12 -2.82 0.19 0.00 0.52 0.00 0.00 54.79 52.80 2cgi n ASP 119 Cb 0.60 -1.59 0.90 0.00 -0.72 0.00 0.00 41.12 40.32 2cgi n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2cgi h VAL 120 N 4.55 0.05 -0.19 5.18 -1.51 -1.90 -2.27 116.25 120.15 2cgi h VAL 120 Ca 0.50 -0.32 0.06 0.00 -1.23 0.00 0.00 66.70 65.71 2cgi h VAL 120 Cb 0.71 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 2cgi h VAL 120 CO 1.77 0.01 0.18 -0.61 -1.23 0.00 0.00 177.57 177.69 2cgi h GLN 121 N 0.00 0.00 -0.19 5.19 4.15 -1.88 -1.19 115.11 121.19 2cgi h GLN 121 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.47 2cgi h GLN 121 Cb 0.30 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2cgi h GLN 121 CO 0.00 0.00 0.16 0.00 -1.93 0.00 0.00 178.83 177.06 2cgi h ALA 122 N 1.83 2.02 0.00 3.38 0.00 -1.80 -1.71 119.26 122.97 2cgi h ALA 122 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2cgi h ALA 122 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cgi h ALA 122 CO -0.00 -0.25 0.00 -1.49 0.00 0.00 0.00 179.25 177.50 2cgi h TRP 123 N 0.00 0.00 -0.19 0.00 4.06 -1.43 -2.79 115.95 115.60 2cgi h TRP 123 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 2cgi h TRP 123 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 2cgi h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 2cgi n ILE 124 N -2.98 0.90 -1.77 1.49 -5.35 -0.66 -4.78 119.36 106.20 2cgi n ILE 124 Ca 0.00 -0.95 -0.41 0.00 -0.27 0.00 0.00 62.75 61.12 2cgi n ILE 124 Cb 0.27 0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 38.72 2cgi n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2cgi s ARG 125 N -0.95 4.11 0.00 6.28 1.70 -1.06 -2.31 118.95 126.72 2cgi s ARG 125 Ca 0.13 2.59 0.00 0.00 -0.47 0.00 0.00 55.73 57.99 2cgi s ARG 125 Cb 0.07 -3.00 0.00 0.00 -0.57 0.00 0.00 34.95 31.45 2cgi s ARG 125 CO 0.09 -0.62 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 2cgi n GLY 126 N 1.76 3.05 3.73 3.88 0.00 -1.26 -5.00 105.19 111.35 2cgi n GLY 126 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2cgi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cgi s ARG 128 N 0.25 3.71 0.00 0.00 3.52 -1.26 -5.12 118.95 120.05 2cgi s ARG 128 Ca 0.55 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.18 2cgi s ARG 128 Cb -0.31 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.11 2cgi s ARG 128 CO 0.33 -1.39 0.18 1.28 -0.81 0.00 0.00 175.30 174.89