#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 s GLN 2 N 0.00 0.93 -1.25 1.43 -1.52 -1.26 -4.60 119.66 113.39 1gm0 s GLN 2 Ca 0.00 0.22 -0.07 0.00 -1.95 0.00 0.00 55.36 53.55 1gm0 s GLN 2 Cb 0.00 -1.82 -0.01 0.00 -0.22 0.00 0.00 33.01 30.96 1gm0 s GLN 2 CO 0.00 -2.32 0.69 0.39 -0.25 0.00 0.00 175.29 173.80 1gm0 n GLU 3 N -3.84 -3.16 -0.48 2.91 1.02 -1.26 -4.85 120.64 110.98 1gm0 n GLU 3 Ca 0.08 0.54 -0.07 0.00 -0.02 0.00 0.00 57.16 57.69 1gm0 n GLU 3 Cb 0.59 -4.75 0.03 0.00 -0.02 0.00 0.00 31.44 27.29 1gm0 n GLU 3 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1gm0 n VAL 4 N -4.18 1.92 -1.18 2.62 3.14 -1.26 -3.92 118.33 115.47 1gm0 n VAL 4 Ca -0.22 -0.75 0.01 0.00 -2.96 0.00 0.00 64.34 60.43 1gm0 n VAL 4 Cb 0.65 -1.12 0.02 0.00 -1.06 0.00 0.00 33.84 32.33 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 1gm0 n MET 5 N 0.47 0.62 -1.09 1.45 0.00 -1.26 -4.87 117.12 112.44 1gm0 n MET 5 Ca 0.15 -1.08 -0.30 0.00 0.00 0.00 0.00 57.70 56.47 1gm0 n MET 5 Cb 0.67 -0.70 0.24 0.00 0.00 0.00 0.00 33.22 33.43 1gm0 n MET 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1gm0 s LYS 6 N -0.52 -1.14 0.25 3.17 1.02 -1.25 -4.97 119.74 116.30 1gm0 s LYS 6 Ca 0.04 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 1gm0 s LYS 6 Cb 0.04 -1.60 -0.14 0.00 -0.52 0.00 0.00 37.83 35.60 1gm0 s LYS 6 CO 0.00 -3.66 1.15 -1.71 -0.92 0.00 0.00 175.35 170.21 1gm0 n ASN 7 N -4.73 1.69 -2.82 2.83 5.15 -1.26 -4.26 115.26 111.86 1gm0 n ASN 7 Ca 0.13 1.16 -0.03 0.00 -0.60 0.00 0.00 54.58 55.24 1gm0 n ASN 7 Cb 0.59 -1.31 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 1gm0 n ASN 7 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1gm0 n LEU 8 N 1.58 -5.34 -0.04 1.20 -0.00 -1.26 -4.98 117.00 108.16 1gm0 n LEU 8 Ca 0.11 1.67 -0.14 0.00 -0.00 0.00 0.00 56.01 57.65 1gm0 n LEU 8 Cb 0.30 -2.43 -0.09 0.00 -0.00 0.00 0.00 43.42 41.20 1gm0 n LEU 8 CO 0.61 -3.42 0.52 0.28 -0.00 0.00 0.00 177.39 175.37 1gm0 h SER 9 N 4.59 0.29 -3.76 1.96 0.02 -1.90 -3.48 113.55 111.27 1gm0 h SER 9 Ca -0.28 -0.60 -0.56 0.00 -0.84 0.00 0.00 61.79 59.51 1gm0 h SER 9 Cb 0.64 -0.08 0.17 0.00 0.14 0.00 0.00 62.40 63.27 1gm0 h SER 9 CO 0.00 0.83 0.15 0.18 -1.14 0.00 0.00 176.83 176.86 1gm0 n LEU 10 N -4.56 3.84 -2.77 5.07 4.77 -1.26 -4.86 117.00 117.23 1gm0 n LEU 10 Ca -0.08 0.72 -0.29 0.00 -0.03 0.00 0.00 56.01 56.33 1gm0 n LEU 10 Cb 0.41 -1.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.01 1gm0 n LEU 10 CO 0.39 -1.89 2.20 -3.20 -1.33 0.00 0.00 177.39 173.55 1gm0 n ASN 11 N -1.48 7.02 0.21 -1.43 2.85 -1.17 -4.68 115.26 116.58 1gm0 n ASN 11 Ca 0.14 -2.85 0.06 0.00 -0.11 0.00 0.00 54.58 51.82 1gm0 n ASN 11 Cb 0.49 -1.39 0.48 0.00 1.24 0.00 0.00 39.78 40.60 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1gm0 h PHE 12 N 3.82 0.00 -0.68 1.20 0.04 -1.88 -3.04 116.94 116.39 1gm0 h PHE 12 Ca 0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.29 1gm0 h PHE 12 Cb 0.75 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 1gm0 h PHE 12 CO 1.68 0.27 0.43 0.78 -0.60 0.00 0.00 178.31 180.88 1gm0 h GLY 13 N 1.11 0.98 0.89 -1.45 0.00 -1.94 0.15 103.07 102.80 1gm0 h GLY 13 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1gm0 h GLY 13 CO 0.04 0.38 -0.28 0.50 0.00 0.00 0.00 176.54 177.17 1gm0 h LYS 14 N 0.93 -0.69 -0.69 4.80 1.79 -1.86 -1.83 116.57 119.02 1gm0 h LYS 14 Ca 0.25 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.74 1gm0 h LYS 14 Cb -0.06 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1gm0 h LYS 14 CO -0.05 -0.46 0.32 0.00 -1.08 0.00 0.00 179.45 178.18 1gm0 h ALA 15 N -0.23 1.27 -0.43 3.86 0.00 -1.36 -1.56 119.26 120.81 1gm0 h ALA 15 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1gm0 h ALA 15 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1gm0 h ALA 15 CO 0.06 0.56 0.22 -0.07 0.00 0.00 0.00 179.25 180.02 1gm0 h LEU 16 N 0.98 0.55 -2.15 0.00 3.38 -0.73 -0.09 115.31 117.24 1gm0 h LEU 16 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gm0 h LEU 16 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gm0 h LEU 16 CO -0.03 0.50 0.09 -0.78 0.09 0.00 0.00 178.44 178.32 1gm0 h ASP 17 N 0.56 0.00 0.00 -0.43 3.58 -0.40 0.22 116.42 119.95 1gm0 h ASP 17 Ca 0.15 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.45 1gm0 h ASP 17 Cb 0.09 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1gm0 h ASP 17 CO -0.02 0.00 -1.26 -0.62 -2.88 0.00 0.00 179.24 174.46 1gm0 n GLU 18 N -2.70 0.53 -0.31 0.28 -0.58 -1.00 -4.27 120.64 112.59 1gm0 n GLU 18 Ca -0.02 0.37 0.08 0.00 -0.42 0.00 0.00 57.16 57.17 1gm0 n GLU 18 Cb 0.14 -1.57 0.24 0.00 -0.57 0.00 0.00 31.44 29.68 1gm0 n GLU 18 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gm0 h LYS 20 N 0.66 0.65 0.17 0.00 5.09 -0.82 -0.85 116.57 121.46 1gm0 h LYS 20 Ca 0.48 -0.04 -0.24 0.00 0.09 0.00 0.00 60.65 60.94 1gm0 h LYS 20 Cb 0.68 -0.15 0.03 0.00 0.10 0.00 0.00 32.23 32.89 1gm0 h LYS 20 CO -0.36 0.43 -1.04 0.87 -2.09 0.00 0.00 179.45 177.26 1gm0 h LYS 21 N 0.67 0.39 0.31 0.07 1.57 -1.07 -2.08 116.57 116.43 1gm0 h LYS 21 Ca 0.27 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1gm0 h LYS 21 Cb 0.21 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1gm0 h LYS 21 CO -0.08 1.31 -0.34 0.93 -0.57 0.00 0.00 179.45 180.71 1gm0 h GLU 22 N -0.18 -0.66 -0.08 3.15 5.08 -0.45 -2.49 114.58 118.95 1gm0 h GLU 22 Ca -0.18 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1gm0 h GLU 22 Cb 1.81 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1gm0 h GLU 22 CO 0.20 -0.44 0.00 -1.33 -1.00 0.00 0.00 179.01 176.44 1gm0 n MET 23 N -5.44 1.62 -2.37 2.33 0.00 -0.39 -4.93 117.12 107.94 1gm0 n MET 23 Ca -0.09 -0.91 -0.11 0.00 0.00 0.00 0.00 57.70 56.58 1gm0 n MET 23 Cb 0.35 -1.44 -0.01 0.00 0.00 0.00 0.00 33.22 32.12 1gm0 n MET 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1gm0 n THR 24 N 0.11 -0.50 -0.46 2.03 5.66 -0.84 -4.96 114.28 115.32 1gm0 n THR 24 Ca 0.18 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.89 1gm0 n THR 24 Cb 0.31 -1.58 0.24 0.00 -1.55 0.00 0.00 70.33 67.75 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1gm0 n LEU 25 N -2.71 -1.59 -4.63 1.09 4.77 -0.85 -4.99 117.00 108.09 1gm0 n LEU 25 Ca -0.13 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.18 1gm0 n LEU 25 Cb 0.59 -1.06 0.20 0.00 -2.33 0.00 0.00 43.42 40.82 1gm0 n LEU 25 CO 0.16 -3.60 0.61 0.42 -1.33 0.00 0.00 177.39 173.65 1gm0 s THR 26 N -2.24 1.94 -0.24 -5.08 -4.23 -1.26 -4.88 115.64 99.65 1gm0 s THR 26 Ca 0.61 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.31 1gm0 s THR 26 Cb -0.17 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.34 1gm0 s THR 26 CO 0.60 0.00 1.30 -0.78 -0.54 0.00 0.00 174.62 175.20 1gm0 h ASP 27 N -2.14 0.00 -0.83 3.99 3.58 -1.96 -3.38 116.42 115.67 1gm0 h ASP 27 Ca -0.55 0.00 0.04 0.00 0.42 0.00 0.00 57.03 56.94 1gm0 h ASP 27 Cb 1.33 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.33 1gm0 h ASP 27 CO 0.54 0.29 0.53 0.00 -2.88 0.00 0.00 179.24 177.72 1gm0 h ALA 28 N 1.71 1.11 -0.71 -0.78 0.00 -2.02 -2.57 119.26 116.01 1gm0 h ALA 28 Ca -0.03 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.14 1gm0 h ALA 28 Cb 1.25 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1gm0 h ALA 28 CO 0.03 0.33 0.33 -0.89 0.00 0.00 0.00 179.25 179.05 1gm0 n ILE 29 N -4.59 -0.30 -0.34 0.00 2.08 -1.26 -0.45 119.36 114.50 1gm0 n ILE 29 Ca 0.11 1.46 0.20 0.00 0.56 0.00 0.00 62.75 65.07 1gm0 n ILE 29 Cb 0.12 -2.34 0.42 0.00 -0.75 0.00 0.00 39.64 37.09 1gm0 n ILE 29 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1gm0 h ASN 30 N 0.00 0.62 0.00 4.38 -0.73 -1.75 -0.12 115.58 117.98 1gm0 h ASN 30 Ca 0.58 0.14 -0.32 0.00 1.87 0.00 0.00 56.30 58.57 1gm0 h ASN 30 Cb 1.50 0.05 -0.06 0.00 0.27 0.00 0.00 38.32 40.08 1gm0 h ASN 30 CO -0.56 0.06 -2.22 -0.62 -0.37 0.00 0.00 177.43 173.71 1gm0 n GLU 31 N -4.88 0.66 0.24 6.67 -0.58 0.20 -4.61 120.64 118.35 1gm0 n GLU 31 Ca 0.28 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 57.20 1gm0 n GLU 31 Cb 0.81 -1.43 0.58 0.00 -0.57 0.00 0.00 31.44 30.83 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1gm0 h ASP 32 N 0.00 0.00 -0.21 1.62 3.58 -0.36 0.17 116.42 121.22 1gm0 h ASP 32 Ca -0.48 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 1gm0 h ASP 32 Cb 1.80 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.84 1gm0 h ASP 32 CO -0.06 0.18 0.13 0.15 -2.88 0.00 0.00 179.24 176.76 1gm0 h PHE 33 N 0.00 0.28 -0.36 0.28 3.57 -1.28 -1.13 116.94 118.29 1gm0 h PHE 33 Ca -0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1gm0 h PHE 33 Cb 0.35 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1gm0 h PHE 33 CO 0.00 0.22 -0.12 1.88 -2.23 0.00 0.00 178.31 178.06 1gm0 h TYR 34 N 0.26 0.70 0.00 0.41 -1.99 -1.26 -2.82 116.97 112.26 1gm0 h TYR 34 Ca 0.08 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 1gm0 h TYR 34 Cb 0.02 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.56 1gm0 h TYR 34 CO -0.05 0.73 -0.24 -0.91 -0.00 0.00 0.00 178.16 177.69 1gm0 h ASN 35 N 0.59 0.00 0.23 3.88 4.21 -0.41 -1.99 115.58 122.08 1gm0 h ASN 35 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1gm0 h ASN 35 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1gm0 h ASN 35 CO 0.03 0.24 0.00 0.15 -1.29 0.00 0.00 177.43 176.57 1gm0 h PHE 36 N 0.00 0.00 0.00 1.19 3.57 -0.94 -0.96 116.94 119.80 1gm0 h PHE 36 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gm0 h PHE 36 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1gm0 h PHE 36 CO 0.00 0.00 -0.84 0.91 -2.23 0.00 0.00 178.31 176.15 1gm0 n TRP 37 N -2.91 0.51 -0.92 0.41 8.01 -0.75 -4.88 117.44 116.91 1gm0 n TRP 37 Ca -0.02 0.15 -0.32 0.00 -1.31 0.00 0.00 57.50 56.00 1gm0 n TRP 37 Cb 0.12 -0.62 0.14 0.00 -2.01 0.00 0.00 31.31 28.94 1gm0 n TRP 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1gm0 s LYS 38 N -3.21 1.41 0.09 -0.99 1.02 -0.37 -5.02 119.74 112.67 1gm0 s LYS 38 Ca 0.04 1.54 0.03 0.00 0.02 0.00 0.00 55.97 57.60 1gm0 s LYS 38 Cb 0.13 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1gm0 s LYS 38 CO 0.76 -2.34 0.08 -1.21 -0.92 0.00 0.00 175.35 171.72 1gm0 s GLU 39 N -4.55 2.88 -1.17 1.68 8.01 -1.26 -4.18 118.70 120.10 1gm0 s GLU 39 Ca 0.67 -0.71 -0.06 0.00 0.01 0.00 0.00 54.97 54.88 1gm0 s GLU 39 Cb -0.23 -2.71 0.01 0.00 -4.31 0.00 0.00 34.13 26.88 1gm0 s GLU 39 CO 0.55 0.56 1.02 0.41 0.01 0.00 0.00 175.26 177.80 1gm0 n GLY 40 N 0.36 -0.36 2.54 -1.39 0.00 -1.26 -5.01 105.19 100.08 1gm0 n GLY 40 Ca -0.09 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gm0 s TYR 41 N -3.29 0.35 -1.37 1.61 1.51 -1.26 -5.05 117.35 109.85 1gm0 s TYR 41 Ca 0.38 -0.90 -0.11 0.00 -1.01 0.00 0.00 57.07 55.44 1gm0 s TYR 41 Cb -0.17 -0.92 0.11 0.00 -0.11 0.00 0.00 41.96 40.87 1gm0 s TYR 41 CO 0.65 -0.83 2.10 -1.91 -1.11 0.00 0.00 175.55 174.45 1gm0 n GLU 42 N 5.24 3.45 -2.61 -0.62 2.13 -1.26 -4.92 120.64 122.05 1gm0 n GLU 42 Ca -0.06 -3.13 -0.41 0.00 0.66 0.00 0.00 57.16 54.22 1gm0 n GLU 42 Cb 0.42 -3.01 -0.03 0.00 0.27 0.00 0.00 31.44 29.08 1gm0 n GLU 42 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1gm0 s ILE 43 N 1.30 3.86 -0.08 6.31 -1.09 -1.26 -4.76 121.20 125.49 1gm0 s ILE 43 Ca 0.45 0.34 0.11 0.00 -2.23 0.00 0.00 60.65 59.32 1gm0 s ILE 43 Cb 0.12 -4.85 0.17 0.00 -1.58 0.00 0.00 42.46 36.32 1gm0 s ILE 43 CO -0.04 -1.72 1.09 0.29 -1.23 0.00 0.00 174.94 173.33 1gm0 n LYS 44 N 8.97 0.76 -2.05 2.79 4.76 -1.26 -4.95 118.16 127.18 1gm0 n LYS 44 Ca 0.02 -1.94 -0.38 0.00 -2.87 0.00 0.00 58.31 53.15 1gm0 n LYS 44 Cb 0.48 -1.09 0.01 0.00 -1.84 0.00 0.00 35.03 32.60 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1gm0 s ASN 45 N -2.12 5.75 0.12 4.39 3.84 -1.26 -4.95 114.94 120.71 1gm0 s ASN 45 Ca 0.19 2.50 -0.20 0.00 0.21 0.00 0.00 52.86 55.56 1gm0 s ASN 45 Cb 0.17 -2.62 -0.06 0.00 -0.55 0.00 0.00 41.25 38.19 1gm0 s ASN 45 CO 0.02 -1.22 1.72 0.03 -2.79 0.00 0.00 177.10 174.86 1gm0 h ARG 46 N 1.74 0.04 0.00 0.43 3.08 -1.97 -3.01 114.38 114.69 1gm0 h ARG 46 Ca -0.50 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 1gm0 h ARG 46 Cb 1.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1gm0 h ARG 46 CO 0.59 0.03 -0.31 0.93 -1.07 0.00 0.00 179.97 180.13 1gm0 h GLU 47 N 0.04 0.00 -0.56 0.04 5.08 -1.93 0.83 114.58 118.08 1gm0 h GLU 47 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1gm0 h GLU 47 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1gm0 h GLU 47 CO -0.13 0.31 -0.03 1.15 -1.00 0.00 0.00 179.01 179.32 1gm0 h THR 48 N 0.00 1.27 -0.86 1.13 2.02 -1.93 0.16 112.91 114.70 1gm0 h THR 48 Ca -0.00 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1gm0 h THR 48 Cb 0.58 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1gm0 h THR 48 CO 0.04 0.41 0.45 1.23 0.37 0.00 0.00 175.52 178.03 1gm0 h GLY 49 N 0.88 1.30 0.99 2.16 0.00 -1.21 -1.52 103.07 105.67 1gm0 h GLY 49 Ca 0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1gm0 h GLY 49 CO 0.03 0.58 0.30 0.00 0.00 0.00 0.00 176.54 177.46 1gm0 h ALA 51 N 1.14 0.16 0.01 0.00 0.00 -0.32 0.66 119.26 120.90 1gm0 h ALA 51 Ca 0.18 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1gm0 h ALA 51 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gm0 h ALA 51 CO -0.03 -0.41 -0.21 0.82 0.00 0.00 0.00 179.25 179.41 1gm0 h ILE 52 N 0.10 0.50 -0.13 0.00 2.04 -1.13 0.18 117.51 119.07 1gm0 h ILE 52 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1gm0 h ILE 52 Cb 0.06 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1gm0 h ILE 52 CO -0.09 0.00 -0.18 -0.03 0.00 0.00 0.00 178.15 177.85 1gm0 h MET 53 N -0.34 -0.22 -0.35 2.37 4.05 -0.76 -0.03 114.93 119.64 1gm0 h MET 53 Ca 0.06 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1gm0 h MET 53 Cb 0.42 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1gm0 h MET 53 CO -0.19 -0.15 -0.09 0.00 0.23 0.00 0.00 176.91 176.71 1gm0 h LEU 55 N 0.55 0.00 -2.74 0.00 3.38 0.15 -2.23 115.31 114.43 1gm0 h LEU 55 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1gm0 h LEU 55 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1gm0 h LEU 55 CO 0.03 0.04 -0.01 0.28 0.09 0.00 0.00 178.44 178.87 1gm0 h SER 56 N 0.00 0.00 -0.27 -0.43 0.02 -0.01 -2.28 113.55 110.58 1gm0 h SER 56 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gm0 h SER 56 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1gm0 h SER 56 CO 0.01 0.01 0.00 1.07 -1.14 0.00 0.00 176.83 176.77 1gm0 n THR 57 N -3.32 1.57 -1.33 -2.27 5.66 -0.84 -4.35 114.28 109.40 1gm0 n THR 57 Ca -0.03 -1.42 0.08 0.00 -3.05 0.00 0.00 64.05 59.63 1gm0 n THR 57 Cb 0.09 0.16 0.14 0.00 -1.55 0.00 0.00 70.33 69.17 1gm0 n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1gm0 n LYS 58 N -0.07 1.20 -0.11 1.09 4.76 -0.86 -4.81 118.16 119.36 1gm0 n LYS 58 Ca 0.15 -2.60 0.18 0.00 -2.87 0.00 0.00 58.31 53.17 1gm0 n LYS 58 Cb 0.62 -1.39 0.57 0.00 -1.84 0.00 0.00 35.03 32.99 1gm0 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1gm0 h LEU 59 N 0.28 0.25 -1.90 -0.35 3.38 -1.80 0.56 115.31 115.72 1gm0 h LEU 59 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gm0 h LEU 59 Cb 1.07 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1gm0 h LEU 59 CO 0.00 0.13 -0.12 -0.55 0.09 0.00 0.00 178.44 177.99 1gm0 h ASN 60 N 0.26 0.00 1.62 -0.43 -1.07 -1.82 -0.62 115.58 113.52 1gm0 h ASN 60 Ca 0.34 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.63 1gm0 h ASN 60 Cb 0.95 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.19 1gm0 h ASN 60 CO -0.08 0.12 -0.39 0.24 0.07 0.00 0.00 177.43 177.40 1gm0 h MET 61 N 0.00 0.00 0.00 4.14 2.86 -1.26 -3.38 114.93 117.28 1gm0 h MET 61 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1gm0 h MET 61 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1gm0 h MET 61 CO 0.02 0.33 -0.38 -0.07 1.06 0.00 0.00 176.91 177.87 1gm0 h LEU 62 N 0.00 0.00 -8.86 1.22 3.38 -1.19 -3.41 115.31 106.45 1gm0 h LEU 62 Ca -0.01 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 1gm0 h LEU 62 Cb 1.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.88 1gm0 h LEU 62 CO 0.04 0.67 0.04 -0.62 0.09 0.00 0.00 178.44 178.67 1gm0 s ASP 63 N -5.61 6.42 0.30 -0.43 -1.08 -0.35 -3.03 116.67 112.90 1gm0 s ASP 63 Ca -0.11 0.29 0.09 0.00 -0.52 0.00 0.00 52.55 52.30 1gm0 s ASP 63 Cb 0.02 -2.30 0.48 0.00 -1.46 0.00 0.00 42.92 39.66 1gm0 s ASP 63 CO 0.16 -0.44 1.69 1.55 0.52 0.00 0.00 175.17 178.66 1gm0 h PRO 64 N 8.25 0.09 -0.00 4.34 0.13 -1.88 -2.64 132.00 140.29 1gm0 h PRO 64 Ca -0.28 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1gm0 h PRO 64 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1gm0 h PRO 64 CO 0.77 0.56 -0.07 0.39 -0.23 0.00 0.00 178.00 179.42 1gm0 n GLU 65 N -3.96 0.65 -1.15 0.86 1.02 -1.26 -4.93 120.64 111.87 1gm0 n GLU 65 Ca -0.02 -0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 56.91 1gm0 n GLU 65 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1gm0 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gm0 n GLY 66 N 1.26 0.69 0.26 0.62 0.00 -1.00 -4.91 105.19 102.12 1gm0 n GLY 66 Ca 0.15 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1gm0 n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gm0 h ASN 67 N 0.00 0.33 -3.07 1.61 2.35 -1.92 -3.42 115.58 111.46 1gm0 h ASN 67 Ca -0.10 -0.05 -0.58 0.00 -0.55 0.00 0.00 56.30 55.02 1gm0 h ASN 67 Cb 0.62 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.84 1gm0 h ASN 67 CO 0.15 0.41 0.82 -0.22 -1.65 0.00 0.00 177.43 176.94 1gm0 s LEU 68 N -8.98 4.10 0.13 1.61 2.96 -1.26 -4.66 118.68 112.57 1gm0 s LEU 68 Ca -0.06 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 1gm0 s LEU 68 Cb 0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1gm0 s LEU 68 CO 0.74 -0.71 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.00 1gm0 s HIS 69 N 3.31 1.06 -0.05 5.38 3.76 -1.26 -4.65 115.29 122.84 1gm0 s HIS 69 Ca 0.46 -0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 1gm0 s HIS 69 Cb -0.16 -0.59 -0.05 0.00 1.11 0.00 0.00 32.58 32.89 1gm0 s HIS 69 CO 0.08 -0.10 1.51 -1.58 -0.85 0.00 0.00 174.74 173.80 1gm0 s HIS 70 N -3.56 2.42 -1.97 1.40 2.46 -1.26 -2.32 115.29 112.45 1gm0 s HIS 70 Ca 0.16 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.22 1gm0 s HIS 70 Cb 0.05 -3.77 0.00 0.00 -0.13 0.00 0.00 32.58 28.73 1gm0 s HIS 70 CO -0.01 -3.05 0.00 0.41 -2.47 0.00 0.00 174.74 169.62 1gm0 n GLY 71 N 3.89 1.77 2.77 1.59 0.00 -0.57 -4.81 105.19 109.83 1gm0 n GLY 71 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1gm0 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gm0 n ASN 72 N -1.30 0.52 -0.05 1.61 5.15 -0.98 -4.94 115.26 115.27 1gm0 n ASN 72 Ca -0.19 -2.13 0.11 0.00 -0.60 0.00 0.00 54.58 51.77 1gm0 n ASN 72 Cb 0.66 -0.08 0.63 0.00 -0.53 0.00 0.00 39.78 40.46 1gm0 n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gm0 n ALA 73 N -0.87 2.62 -0.10 5.20 0.00 -1.16 -4.04 120.51 122.17 1gm0 n ALA 73 Ca -0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1gm0 n ALA 73 Cb 0.83 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1gm0 n ALA 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gm0 h MET 74 N 0.19 0.90 -0.43 0.00 2.86 -1.92 0.35 114.93 116.88 1gm0 h MET 74 Ca 0.00 -0.52 -0.12 0.00 -2.06 0.00 0.00 59.70 57.00 1gm0 h MET 74 Cb 0.04 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1gm0 h MET 74 CO 0.00 1.16 -0.21 0.93 1.06 0.00 0.00 176.91 179.85 1gm0 h GLU 75 N 0.71 0.87 -0.15 1.72 4.39 -1.92 0.90 114.58 121.10 1gm0 h GLU 75 Ca 0.04 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.40 1gm0 h GLU 75 Cb 1.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1gm0 h GLU 75 CO 0.11 0.99 0.06 0.35 -1.16 0.00 0.00 179.01 179.36 1gm0 h PHE 76 N 0.75 0.11 -0.74 4.33 3.57 -1.77 -2.86 116.94 120.33 1gm0 h PHE 76 Ca 0.10 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1gm0 h PHE 76 Cb 0.75 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1gm0 h PHE 76 CO 0.04 0.06 0.42 0.00 -2.23 0.00 0.00 178.31 176.60 1gm0 h ALA 77 N 1.08 1.01 0.00 2.41 0.00 -0.31 -1.03 119.26 122.43 1gm0 h ALA 77 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1gm0 h ALA 77 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1gm0 h ALA 77 CO -0.05 0.10 -0.08 0.87 0.00 0.00 0.00 179.25 180.09 1gm0 h LYS 78 N 0.76 0.00 0.00 0.00 1.57 -0.09 0.17 116.57 118.98 1gm0 h LYS 78 Ca 0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1gm0 h LYS 78 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1gm0 h LYS 78 CO -0.20 0.08 -0.10 0.87 -0.57 0.00 0.00 179.45 179.52 1gm0 h LYS 79 N 0.00 0.00 -0.05 3.15 1.57 -0.95 -2.44 116.57 117.85 1gm0 h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gm0 h LYS 79 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1gm0 h LYS 79 CO 0.01 0.10 0.00 0.72 -0.57 0.00 0.00 179.45 179.71 1gm0 n HIS 80 N -3.38 0.02 -0.17 -1.35 8.25 -0.02 -4.97 115.22 113.60 1gm0 n HIS 80 Ca -0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1gm0 n HIS 80 Cb 0.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1gm0 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm0 n GLY 81 N 1.29 0.84 3.64 -1.41 0.00 -0.80 -4.88 105.19 103.87 1gm0 n GLY 81 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1gm0 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 s ALA 82 N -2.08 3.63 0.86 4.61 0.00 -0.76 -4.93 121.76 123.10 1gm0 s ALA 82 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1gm0 s ALA 82 Cb 0.00 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1gm0 s ALA 82 CO 0.00 -0.91 0.43 -0.40 0.00 0.00 0.00 175.76 174.88 1gm0 n ASP 83 N 5.94 0.16 -0.09 0.00 5.68 -1.26 -1.87 116.55 125.11 1gm0 n ASP 83 Ca 0.04 -1.23 -0.03 0.00 -0.50 0.00 0.00 54.79 53.07 1gm0 n ASP 83 Cb 0.48 -0.32 0.21 0.00 -1.14 0.00 0.00 41.12 40.34 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1gm0 h GLU 84 N 0.00 0.73 -0.02 0.11 4.39 -1.97 -0.17 114.58 117.64 1gm0 h GLU 84 Ca -0.14 -0.17 -0.23 0.00 0.34 0.00 0.00 59.36 59.16 1gm0 h GLU 84 Cb 0.42 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1gm0 h GLU 84 CO 0.11 0.72 -0.87 1.15 -1.16 0.00 0.00 179.01 178.96 1gm0 h THR 85 N 0.70 1.32 -0.95 1.13 2.02 -1.97 -1.32 112.91 113.84 1gm0 h THR 85 Ca 0.15 -2.14 0.08 0.00 0.77 0.00 0.00 66.41 65.26 1gm0 h THR 85 Cb 0.37 2.38 -0.07 0.00 -1.74 0.00 0.00 68.15 69.09 1gm0 h THR 85 CO 0.01 0.65 0.61 0.24 0.37 0.00 0.00 175.52 177.41 1gm0 h MET 86 N 0.27 1.01 0.81 6.66 2.86 -1.71 0.28 114.93 125.11 1gm0 h MET 86 Ca -0.10 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1gm0 h MET 86 Cb 1.53 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.97 1gm0 h MET 86 CO 0.17 0.67 -0.39 0.00 1.06 0.00 0.00 176.91 178.42 1gm0 h ALA 87 N 1.51 -1.15 0.00 6.32 0.00 -1.08 -3.12 119.26 121.74 1gm0 h ALA 87 Ca 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gm0 h ALA 87 Cb 0.28 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1gm0 h ALA 87 CO -0.18 -1.07 -0.00 0.37 0.00 0.00 0.00 179.25 178.37 1gm0 h GLN 88 N -1.22 0.00 0.29 0.00 5.75 -0.58 0.21 115.11 119.56 1gm0 h GLN 88 Ca -0.11 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1gm0 h GLN 88 Cb 0.83 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1gm0 h GLN 88 CO 0.18 0.00 -0.14 1.96 -2.65 0.00 0.00 178.83 178.19 1gm0 h GLN 89 N 0.00 -0.38 -0.08 1.69 1.08 -0.51 -2.61 115.11 114.30 1gm0 h GLN 89 Ca -0.00 0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.01 1gm0 h GLN 89 Cb 0.01 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1gm0 h GLN 89 CO 0.00 -0.24 -0.83 -0.07 -0.95 0.00 0.00 178.83 176.75 1gm0 h LEU 90 N -0.41 0.69 -0.56 1.46 3.38 -0.61 -2.98 115.31 116.28 1gm0 h LEU 90 Ca -0.04 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.47 1gm0 h LEU 90 Cb 0.32 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1gm0 h LEU 90 CO 0.07 1.27 0.35 0.40 0.09 0.00 0.00 178.44 180.61 1gm0 h ILE 91 N 0.37 1.08 -0.48 1.22 2.04 -1.13 -0.02 117.51 120.57 1gm0 h ILE 91 Ca -0.06 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1gm0 h ILE 91 Cb 1.44 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1gm0 h ILE 91 CO 0.15 0.13 0.27 -0.78 0.00 0.00 0.00 178.15 177.92 1gm0 h ASP 92 N 0.69 0.44 -0.60 1.72 3.58 -1.46 -2.15 116.42 118.63 1gm0 h ASP 92 Ca 0.22 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.76 1gm0 h ASP 92 Cb 0.00 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 40.91 1gm0 h ASP 92 CO -0.09 0.31 0.25 0.40 -2.88 0.00 0.00 179.24 177.23 1gm0 h ILE 93 N 0.55 0.83 -0.21 2.25 2.04 -1.29 0.27 117.51 121.95 1gm0 h ILE 93 Ca 0.20 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1gm0 h ILE 93 Cb 0.04 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.39 1gm0 h ILE 93 CO -0.10 0.08 -0.15 0.58 0.00 0.00 0.00 178.15 178.56 1gm0 h VAL 94 N 0.46 0.57 -0.10 1.67 2.07 -0.35 0.53 116.25 121.09 1gm0 h VAL 94 Ca 0.29 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.62 1gm0 h VAL 94 Cb 0.31 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1gm0 h VAL 94 CO -0.26 0.00 -0.72 0.45 0.02 0.00 0.00 177.57 177.06 1gm0 h HIS 95 N -0.15 0.64 0.00 1.57 3.86 -1.30 0.43 115.15 120.19 1gm0 h HIS 95 Ca 0.12 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1gm0 h HIS 95 Cb 0.33 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1gm0 h HIS 95 CO -0.31 1.04 0.00 0.41 0.86 0.00 0.00 177.93 179.93 1gm0 n GLY 96 N 0.55 -0.55 0.00 2.45 0.00 0.92 -1.71 105.19 106.85 1gm0 n GLY 96 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.99 1gm0 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm0 h GLU 98 N 0.00 -0.09 0.10 0.00 5.08 -0.08 -3.20 114.58 116.40 1gm0 h GLU 98 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gm0 h GLU 98 Cb 0.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1gm0 h GLU 98 CO 0.00 -0.06 -0.05 0.87 -1.00 0.00 0.00 179.01 178.77 1gm0 h LYS 99 N -0.09 -0.13 -0.40 2.33 1.57 -1.52 -3.20 116.57 115.13 1gm0 h LYS 99 Ca 0.06 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1gm0 h LYS 99 Cb 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1gm0 h LYS 99 CO -0.14 0.28 -0.08 0.66 -0.57 0.00 0.00 179.45 179.60 1gm0 h SER 100 N -0.59 0.68 -2.70 0.86 4.64 -1.70 -3.43 113.55 111.31 1gm0 h SER 100 Ca -0.01 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.60 1gm0 h SER 100 Cb 0.47 -0.18 0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1gm0 h SER 100 CO 0.02 0.80 0.98 -0.89 -0.87 0.00 0.00 176.83 176.87 1gm0 s THR 101 N -4.83 2.34 0.53 2.95 2.01 -1.21 -4.96 115.64 112.46 1gm0 s THR 101 Ca -0.09 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 1gm0 s THR 101 Cb 0.14 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1gm0 s THR 101 CO 0.80 0.01 1.28 -2.16 -0.69 0.00 0.00 174.62 173.87 1gm0 s PRO 102 N 1.44 3.29 -1.14 4.92 0.04 -1.26 -4.84 135.00 137.45 1gm0 s PRO 102 Ca 0.74 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.65 1gm0 s PRO 102 Cb -0.47 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 1gm0 s PRO 102 CO 0.32 -1.01 2.02 0.00 0.04 0.00 0.00 177.00 178.37 1gm0 n ALA 103 N -0.94 4.03 -1.78 8.56 0.00 -1.26 -4.86 120.51 124.26 1gm0 n ALA 103 Ca 0.10 -3.56 -0.41 0.00 0.00 0.00 0.00 53.44 49.57 1gm0 n ALA 103 Cb 0.46 -3.58 -0.00 0.00 0.00 0.00 0.00 19.45 16.33 1gm0 n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1gm0 s ASN 104 N 4.38 6.32 0.62 0.00 3.84 -1.26 -4.88 114.94 123.96 1gm0 s ASN 104 Ca 0.54 3.07 0.32 0.00 0.21 0.00 0.00 52.86 57.00 1gm0 s ASN 104 Cb 0.11 -2.67 1.79 0.00 -0.55 0.00 0.00 41.25 39.93 1gm0 s ASN 104 CO 0.04 -0.89 2.11 -0.78 -2.79 0.00 0.00 177.10 174.78 1gm0 h ASP 105 N 3.02 0.00 -3.57 -4.21 3.58 -2.01 -3.39 116.42 109.83 1gm0 h ASP 105 Ca -0.51 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 56.23 1gm0 h ASP 105 Cb 1.24 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.05 1gm0 h ASP 105 CO 0.64 0.00 -0.50 -0.62 -2.88 0.00 0.00 179.24 175.88 1gm0 s ASP 106 N -5.40 5.76 0.38 2.28 -1.08 -1.26 -4.97 116.67 112.38 1gm0 s ASP 106 Ca -0.04 -1.02 0.08 0.00 -0.52 0.00 0.00 52.55 51.04 1gm0 s ASP 106 Cb 0.14 -2.03 0.82 0.00 -1.46 0.00 0.00 42.92 40.38 1gm0 s ASP 106 CO 0.47 -0.40 1.94 0.50 0.52 0.00 0.00 175.17 178.20 1gm0 h LYS 107 N 8.45 0.65 0.10 4.34 1.63 -1.99 0.46 116.57 130.22 1gm0 h LYS 107 Ca -0.25 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1gm0 h LYS 107 Cb 1.10 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1gm0 h LYS 107 CO 0.68 0.43 -0.05 0.00 -3.45 0.00 0.00 179.45 177.06 1gm0 h ILE 109 N -0.16 1.29 0.18 0.00 2.04 -1.63 -0.11 117.51 119.11 1gm0 h ILE 109 Ca -0.01 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 63.98 1gm0 h ILE 109 Cb 0.13 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1gm0 h ILE 109 CO 0.02 0.60 -0.50 -0.25 0.00 0.00 0.00 178.15 178.02 1gm0 h TRP 110 N 0.55 -1.42 -0.98 1.37 7.01 -0.92 -2.18 115.95 119.39 1gm0 h TRP 110 Ca -0.02 0.03 0.16 0.00 2.11 0.00 0.00 58.89 61.18 1gm0 h TRP 110 Cb 1.27 0.60 -0.09 0.00 -2.10 0.00 0.00 29.16 28.84 1gm0 h TRP 110 CO 0.07 -0.59 0.61 1.15 -2.79 0.00 0.00 178.44 176.90 1gm0 h THR 111 N -0.77 0.79 -0.51 2.65 2.02 -0.39 0.28 112.91 116.98 1gm0 h THR 111 Ca -0.01 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1gm0 h THR 111 Cb 0.76 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1gm0 h THR 111 CO -0.24 0.14 0.19 0.25 0.37 0.00 0.00 175.52 176.23 1gm0 h LEU 112 N 0.79 0.71 -0.14 2.58 5.85 -0.84 -0.13 115.31 124.13 1gm0 h LEU 112 Ca 0.52 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1gm0 h LEU 112 Cb 0.77 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 1gm0 h LEU 112 CO -0.29 0.70 -0.49 1.23 -0.34 0.00 0.00 178.44 179.25 1gm0 h GLY 113 N 0.68 -0.91 0.21 3.75 0.00 -0.36 -0.83 103.07 105.63 1gm0 h GLY 113 Ca 0.17 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.17 1gm0 h GLY 113 CO -0.01 -0.21 -0.22 -2.08 0.00 0.00 0.00 176.54 174.02 1gm0 h VAL 114 N -0.54 0.43 -0.09 4.60 2.07 -0.72 0.58 116.25 122.58 1gm0 h VAL 114 Ca 0.06 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 1gm0 h VAL 114 Cb 0.66 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1gm0 h VAL 114 CO -0.43 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 176.70 1gm0 h ALA 115 N 0.81 1.05 -0.17 1.67 0.00 -0.91 0.76 119.26 122.47 1gm0 h ALA 115 Ca 0.13 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1gm0 h ALA 115 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gm0 h ALA 115 CO -0.36 0.63 -0.20 1.15 0.00 0.00 0.00 179.25 180.47 1gm0 h THR 116 N 0.18 1.34 -0.39 0.00 2.02 -0.73 -2.90 112.91 112.44 1gm0 h THR 116 Ca 0.01 -1.39 0.07 0.00 0.77 0.00 0.00 66.41 65.88 1gm0 h THR 116 Cb 0.89 1.86 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 1gm0 h THR 116 CO 0.07 0.41 -0.04 0.00 0.37 0.00 0.00 175.52 176.34 1gm0 h PHE 118 N 0.06 -0.98 -0.88 0.00 3.57 -0.82 -0.84 116.94 117.04 1gm0 h PHE 118 Ca 0.19 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.94 1gm0 h PHE 118 Cb 0.28 0.42 -0.15 0.00 2.79 0.00 0.00 35.95 39.28 1gm0 h PHE 118 CO -0.29 -0.39 0.08 -0.22 -2.23 0.00 0.00 178.31 175.25 1gm0 h LYS 119 N -0.50 0.09 -0.66 1.11 1.63 -1.33 0.95 116.57 117.86 1gm0 h LYS 119 Ca -0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1gm0 h LYS 119 Cb 0.49 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1gm0 h LYS 119 CO -0.17 0.06 0.28 0.00 -3.45 0.00 0.00 179.45 176.17 1gm0 h ALA 120 N 1.84 0.85 0.00 5.00 0.00 -0.60 -2.57 119.26 123.78 1gm0 h ALA 120 Ca 0.52 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1gm0 h ALA 120 Cb 1.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1gm0 h ALA 120 CO -0.77 0.45 -0.27 0.93 0.00 0.00 0.00 179.25 179.60 1gm0 h GLU 121 N 0.92 0.00 -0.77 0.00 4.39 0.53 -1.28 114.58 118.38 1gm0 h GLU 121 Ca 0.22 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1gm0 h GLU 121 Cb 0.18 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1gm0 h GLU 121 CO -0.02 0.27 0.45 0.82 -1.16 0.00 0.00 179.01 179.37 1gm0 h ILE 122 N 0.00 1.22 0.00 3.13 2.04 -0.82 0.11 117.51 123.18 1gm0 h ILE 122 Ca -0.00 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1gm0 h ILE 122 Cb 0.64 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1gm0 h ILE 122 CO 0.04 0.23 0.00 1.57 0.00 0.00 0.00 178.15 179.99 1gm0 n HIS 123 N -4.37 0.00 -0.02 1.37 -0.00 -0.50 -0.97 115.22 110.73 1gm0 n HIS 123 Ca 0.08 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.34 1gm0 n HIS 123 Cb 0.08 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.79 1gm0 n HIS 123 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1gm0 n LYS 124 N -0.53 0.63 -1.01 1.57 2.85 0.33 -5.05 118.16 116.95 1gm0 n LYS 124 Ca 0.01 -0.17 -0.29 0.00 -1.05 0.00 0.00 58.31 56.81 1gm0 n LYS 124 Cb 0.01 -1.47 0.18 0.00 -0.65 0.00 0.00 35.03 33.09 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1gm0 s LEU 125 N -4.46 1.75 0.00 -5.58 1.43 -0.14 -4.94 118.68 106.74 1gm0 s LEU 125 Ca -0.07 1.44 0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1gm0 s LEU 125 Cb 0.12 -3.66 1.49 0.00 0.03 0.00 0.00 46.19 44.18 1gm0 s LEU 125 CO 0.82 -3.19 2.01 -3.20 0.23 0.00 0.00 176.35 173.02 1gm0 n ASN 126 N -4.24 0.32 -3.81 2.29 5.15 -1.26 -4.95 115.26 108.76 1gm0 n ASN 126 Ca 0.06 -0.71 -0.13 0.00 -0.60 0.00 0.00 54.58 53.20 1gm0 n ASN 126 Cb 0.55 -0.09 -0.07 0.00 -0.53 0.00 0.00 39.78 39.65 1gm0 n ASN 126 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1gm0 s TRP 127 N -2.29 0.95 -0.18 1.20 1.48 -1.26 -5.16 118.94 113.67 1gm0 s TRP 127 Ca 0.36 -1.18 0.01 0.00 -1.06 0.00 0.00 56.10 54.23 1gm0 s TRP 127 Cb 0.21 -0.22 0.02 0.00 -1.16 0.00 0.00 33.47 32.32 1gm0 s TRP 127 CO 0.42 -0.90 -0.18 0.00 -4.06 0.00 0.00 176.95 172.23 1gm0 s ALA 128 N -3.76 2.29 0.85 2.67 0.00 -1.26 -4.88 121.76 117.67 1gm0 s ALA 128 Ca 0.32 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1gm0 s ALA 128 Cb 0.02 -1.20 0.11 0.00 0.00 0.00 0.00 23.12 22.05 1gm0 s ALA 128 CO 0.15 -0.43 1.13 -2.14 0.00 0.00 0.00 175.76 174.47 1gm0 s PRO 129 N 1.30 1.54 0.74 0.00 0.02 -1.26 -5.06 135.00 132.28 1gm0 s PRO 129 Ca 0.04 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 62.36 1gm0 s PRO 129 Cb -0.14 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.63 1gm0 s PRO 129 CO -0.12 -2.23 1.14 -1.12 -0.33 0.00 0.00 177.00 174.34 1gm0 s SER 130 N -2.87 4.39 0.09 2.53 0.01 -1.26 -4.88 113.70 111.71 1gm0 s SER 130 Ca 0.65 2.09 -0.17 0.00 1.31 0.00 0.00 55.95 59.83 1gm0 s SER 130 Cb -0.21 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.39 1gm0 s SER 130 CO 0.56 -2.12 1.50 0.24 0.41 0.00 0.00 173.24 173.84 1gm0 h MET 131 N -0.60 0.52 0.00 12.44 0.00 -1.97 -1.60 114.93 123.73 1gm0 h MET 131 Ca -0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 59.70 59.05 1gm0 h MET 131 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 31.60 32.82 1gm0 h MET 131 CO 0.50 0.71 -0.02 -0.44 0.00 0.00 0.00 176.91 177.66 1gm0 h ASP 132 N 0.29 0.00 0.20 1.22 5.19 -1.98 0.32 116.42 121.67 1gm0 h ASP 132 Ca 0.07 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1gm0 h ASP 132 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1gm0 h ASP 132 CO 0.02 0.02 -0.10 0.58 -3.12 0.00 0.00 179.24 176.65 1gm0 h VAL 133 N 0.00 0.00 0.00 -1.35 2.07 -1.90 -0.30 116.25 114.77 1gm0 h VAL 133 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1gm0 h VAL 133 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1gm0 h VAL 133 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1gm0 n ALA 134 N -2.25 1.21 -0.13 1.67 0.00 -0.51 -0.67 120.51 119.83 1gm0 n ALA 134 Ca -0.03 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1gm0 n ALA 134 Cb 0.11 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 1gm0 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gm0 n VAL 135 N -1.47 1.51 -0.18 0.00 0.31 0.10 -4.47 118.33 114.14 1gm0 n VAL 135 Ca 0.01 -0.49 -0.02 0.00 -0.01 0.00 0.00 64.34 63.83 1gm0 n VAL 135 Cb 0.05 -1.62 0.08 0.00 -0.91 0.00 0.00 33.84 31.43 1gm0 n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1gm0 h GLY 136 N 0.72 0.74 0.97 2.92 0.00 0.79 -3.21 103.07 106.00 1gm0 h GLY 136 Ca -0.63 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 46.38 1gm0 h GLY 136 CO -0.23 0.02 -0.75 0.83 0.00 0.00 0.00 176.54 176.42 1gm0 h GLU 137 N 0.41 0.56 -0.47 4.80 5.08 -1.11 -3.14 114.58 120.71 1gm0 h GLU 137 Ca 0.26 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1gm0 h GLU 137 Cb 0.27 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1gm0 h GLU 137 CO -0.24 1.19 0.12 0.97 -1.00 0.00 0.00 179.01 180.04 1gm0 h ILE 138 N 0.16 1.20 -0.67 3.13 2.10 -1.78 -2.08 117.51 119.58 1gm0 h ILE 138 Ca -0.08 -0.71 -0.05 0.00 1.08 0.00 0.00 64.86 65.09 1gm0 h ILE 138 Cb 1.42 0.72 -0.03 0.00 -1.09 0.00 0.00 36.82 37.84 1gm0 h ILE 138 CO 0.15 0.26 0.21 -0.07 -1.08 0.00 0.00 178.15 177.62 1gm0 h LEU 139 N 0.68 0.95 0.00 2.19 3.38 -1.58 0.20 115.31 121.13 1gm0 h LEU 139 Ca 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gm0 h LEU 139 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gm0 h LEU 139 CO -0.00 0.89 0.02 0.00 0.09 0.00 0.00 178.44 179.43 1gm0 n ALA 140 N -2.45 1.11 0.00 1.53 0.00 -0.78 -3.81 120.51 116.11 1gm0 n ALA 140 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1gm0 n ALA 140 Cb 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1gm0 n ALA 140 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gm0 n GLU 141 N -1.30 0.19 0.00 0.00 1.02 -0.39 -1.51 120.64 118.66 1gm0 n GLU 141 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1gm0 n GLU 141 Cb 0.02 -0.85 0.41 0.00 -0.02 0.00 0.00 31.44 30.99 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59