#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 2.10 -0.44 1.43 -2.07 -1.26 -5.07 119.66 114.35 1gm0 s GLN 2 Ca 0.00 0.14 0.05 0.00 -1.82 0.00 0.00 55.36 53.73 1gm0 s GLN 2 Cb 0.00 -1.97 0.17 0.00 -1.09 0.00 0.00 33.01 30.12 1gm0 s GLN 2 CO 0.00 -1.50 0.44 -1.21 -1.32 0.00 0.00 175.29 171.70 1gm0 s GLU 3 N -5.53 0.94 -0.30 9.60 2.02 -1.26 -4.97 118.70 119.21 1gm0 s GLU 3 Ca 0.61 -1.82 0.19 0.00 0.02 0.00 0.00 54.97 53.98 1gm0 s GLU 3 Cb -0.11 -1.05 0.48 0.00 0.10 0.00 0.00 34.13 33.55 1gm0 s GLU 3 CO 0.49 -1.37 1.04 0.28 0.02 0.00 0.00 175.26 175.72 1gm0 n VAL 4 N 2.90 1.25 -2.19 2.63 0.31 -1.26 -4.94 118.33 117.03 1gm0 n VAL 4 Ca 0.26 -3.13 -0.18 0.00 -0.01 0.00 0.00 64.34 61.29 1gm0 n VAL 4 Cb 0.50 0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 34.20 1gm0 n VAL 4 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1gm0 n MET 5 N -0.35 -1.40 -1.12 5.55 2.81 -1.26 -4.99 117.12 116.36 1gm0 n MET 5 Ca 0.11 0.92 -0.24 0.00 -1.81 0.00 0.00 57.70 56.68 1gm0 n MET 5 Cb 0.81 -5.38 0.19 0.00 -0.71 0.00 0.00 33.22 28.13 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1gm0 n LYS 6 N -2.68 -2.07 -1.36 0.03 4.76 -1.26 -5.02 118.16 110.57 1gm0 n LYS 6 Ca -0.21 -1.51 -0.34 0.00 -2.87 0.00 0.00 58.31 53.38 1gm0 n LYS 6 Cb 0.65 -1.24 0.10 0.00 -1.84 0.00 0.00 35.03 32.70 1gm0 n LYS 6 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1gm0 s ASN 7 N -4.30 4.08 -0.08 4.39 2.20 -1.26 -4.21 114.94 115.76 1gm0 s ASN 7 Ca 0.59 2.33 -0.01 0.00 -0.94 0.00 0.00 52.86 54.83 1gm0 s ASN 7 Cb -0.04 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.63 1gm0 s ASN 7 CO 0.43 -2.34 0.02 -0.11 -2.94 0.00 0.00 177.10 172.16 1gm0 n LEU 8 N -2.88 -4.83 0.03 3.54 -0.00 -1.26 -4.91 117.00 106.69 1gm0 n LEU 8 Ca 0.13 0.83 -0.04 0.00 -0.00 0.00 0.00 56.01 56.92 1gm0 n LEU 8 Cb 0.50 -2.04 0.18 0.00 -0.00 0.00 0.00 43.42 42.06 1gm0 n LEU 8 CO 0.48 -2.18 0.67 0.28 -0.00 0.00 0.00 177.39 176.63 1gm0 h SER 9 N 3.76 0.46 -3.44 1.96 0.02 -1.97 -3.46 113.55 110.88 1gm0 h SER 9 Ca -0.03 -0.18 -0.57 0.00 -0.84 0.00 0.00 61.79 60.16 1gm0 h SER 9 Cb 0.65 -0.13 0.15 0.00 0.14 0.00 0.00 62.40 63.22 1gm0 h SER 9 CO 0.02 0.77 0.14 0.18 -1.14 0.00 0.00 176.83 176.80 1gm0 n LEU 10 N -4.07 3.34 -2.66 5.07 4.77 -1.26 -4.83 117.00 117.36 1gm0 n LEU 10 Ca -0.01 0.88 -0.26 0.00 -0.03 0.00 0.00 56.01 56.59 1gm0 n LEU 10 Cb 0.46 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.07 1gm0 n LEU 10 CO 0.43 -1.73 2.53 -3.20 -1.33 0.00 0.00 177.39 174.09 1gm0 n ASN 11 N -0.34 7.03 0.03 -1.43 5.15 -0.04 -4.67 115.26 120.99 1gm0 n ASN 11 Ca 0.12 -2.52 -0.07 0.00 -0.60 0.00 0.00 54.58 51.50 1gm0 n ASN 11 Cb 0.45 -1.49 0.09 0.00 -0.53 0.00 0.00 39.78 38.30 1gm0 n ASN 11 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1gm0 h PHE 12 N 4.02 0.56 0.01 1.20 0.04 -1.88 -3.20 116.94 117.69 1gm0 h PHE 12 Ca 0.54 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 61.15 1gm0 h PHE 12 Cb 0.89 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.89 1gm0 h PHE 12 CO 1.84 0.88 -0.22 0.78 -0.60 0.00 0.00 178.31 180.99 1gm0 h GLY 13 N 1.18 -0.33 0.93 -1.45 0.00 -1.95 0.91 103.07 102.36 1gm0 h GLY 13 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1gm0 h GLY 13 CO 0.09 -0.19 -0.13 0.50 0.00 0.00 0.00 176.54 176.81 1gm0 h LYS 14 N -0.35 -0.36 -0.99 4.80 1.79 -1.98 -1.61 116.57 117.87 1gm0 h LYS 14 Ca 0.06 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.61 1gm0 h LYS 14 Cb 0.43 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 1gm0 h LYS 14 CO -0.20 -0.18 0.64 0.00 -1.08 0.00 0.00 179.45 178.63 1gm0 h ALA 15 N 0.25 1.40 -0.54 3.86 0.00 -1.49 -1.33 119.26 121.41 1gm0 h ALA 15 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1gm0 h ALA 15 Cb 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1gm0 h ALA 15 CO 0.06 0.47 0.30 -0.07 0.00 0.00 0.00 179.25 180.01 1gm0 h LEU 16 N 1.19 0.67 0.00 0.00 3.38 -0.69 -0.32 115.31 119.53 1gm0 h LEU 16 Ca 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1gm0 h LEU 16 Cb 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1gm0 h LEU 16 CO -0.15 0.56 0.00 -0.67 0.09 0.00 0.00 178.44 178.27 1gm0 n ASP 17 N -4.63 0.00 -0.12 -0.43 -0.08 -0.54 -0.78 116.55 109.98 1gm0 n ASP 17 Ca 0.03 0.48 -0.24 0.00 -1.51 0.00 0.00 54.79 53.55 1gm0 n ASP 17 Cb 0.08 -0.49 -0.08 0.00 2.34 0.00 0.00 41.12 42.97 1gm0 n ASP 17 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1gm0 n GLU 18 N -1.49 0.50 -0.22 -0.67 -0.58 -0.84 -4.25 120.64 113.08 1gm0 n GLU 18 Ca 0.02 0.21 0.03 0.00 -0.42 0.00 0.00 57.16 56.99 1gm0 n GLU 18 Cb 0.08 -1.33 0.14 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.34 0.00 0.00 0.00 5.09 -1.18 -1.04 116.57 119.78 1gm0 h LYS 20 Ca 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 61.05 1gm0 h LYS 20 Cb 0.54 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.86 1gm0 h LYS 20 CO -0.41 0.00 -0.36 0.87 -2.09 0.00 0.00 179.45 177.46 1gm0 h LYS 21 N 0.00 0.00 -0.27 0.07 1.57 -1.20 -0.67 116.57 116.07 1gm0 h LYS 21 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1gm0 h LYS 21 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1gm0 h LYS 21 CO 0.00 0.52 0.19 0.93 -0.57 0.00 0.00 179.45 180.52 1gm0 h GLU 22 N -1.00 0.10 -0.02 3.15 5.08 -0.49 0.04 114.58 121.43 1gm0 h GLU 22 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1gm0 h GLU 22 Cb 0.68 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1gm0 h GLU 22 CO -0.04 0.06 -0.27 -1.33 -1.00 0.00 0.00 179.01 176.43 1gm0 n MET 23 N -4.48 1.58 -3.86 2.33 0.00 -0.47 -5.01 117.12 107.22 1gm0 n MET 23 Ca 0.03 -1.16 -0.35 0.00 0.00 0.00 0.00 57.70 56.21 1gm0 n MET 23 Cb 0.27 -1.38 0.02 0.00 0.00 0.00 0.00 33.22 32.14 1gm0 n MET 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1gm0 n THR 24 N 0.32 -3.99 -0.97 2.03 -1.04 -0.00 -5.02 114.28 105.61 1gm0 n THR 24 Ca 0.09 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1gm0 n THR 24 Cb 0.43 -3.17 0.00 0.00 -1.82 0.00 0.00 70.33 65.77 1gm0 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1gm0 n LEU 25 N -4.06 0.00 -4.82 -4.42 4.77 -0.27 -5.01 117.00 103.19 1gm0 n LEU 25 Ca -0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.53 1gm0 n LEU 25 Cb 0.60 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.85 1gm0 n LEU 25 CO 0.69 -0.50 0.77 0.42 -1.33 0.00 0.00 177.39 177.43 1gm0 s THR 26 N -0.98 1.93 0.23 -5.08 -4.23 -1.26 -4.93 115.64 101.32 1gm0 s THR 26 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1gm0 s THR 26 Cb 0.00 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 1gm0 s THR 26 CO 0.00 0.00 1.52 -0.78 -0.54 0.00 0.00 174.62 174.82 1gm0 h ASP 27 N -1.66 0.11 -0.62 3.99 3.58 -1.98 -3.38 116.42 116.46 1gm0 h ASP 27 Ca -0.47 -0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.01 1gm0 h ASP 27 Cb 1.29 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 1gm0 h ASP 27 CO 0.50 0.78 0.42 0.00 -2.88 0.00 0.00 179.24 178.05 1gm0 h ALA 28 N 1.22 2.02 -0.74 -0.78 0.00 -2.02 -1.48 119.26 117.48 1gm0 h ALA 28 Ca -0.01 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.10 1gm0 h ALA 28 Cb 1.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1gm0 h ALA 28 CO 0.10 -0.16 0.88 -0.84 0.00 0.00 0.00 179.25 179.23 1gm0 h ILE 29 N 0.42 0.14 -0.14 0.00 -0.00 -1.94 0.14 117.51 116.13 1gm0 h ILE 29 Ca 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 65.18 1gm0 h ILE 29 Cb 0.58 0.28 -0.01 0.00 -0.00 0.00 0.00 36.82 37.67 1gm0 h ILE 29 CO -0.08 0.00 0.10 -1.13 -0.00 0.00 0.00 178.15 177.04 1gm0 h ASN 30 N 0.00 0.06 0.00 2.16 -0.73 -1.58 -2.76 115.58 112.73 1gm0 h ASN 30 Ca 0.35 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.52 1gm0 h ASN 30 Cb 2.11 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.69 1gm0 h ASN 30 CO -0.00 0.04 -0.69 -0.62 -0.37 0.00 0.00 177.43 175.78 1gm0 n GLU 31 N -4.51 2.65 0.20 6.67 1.02 -0.74 -4.78 120.64 121.14 1gm0 n GLU 31 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1gm0 n GLU 31 Cb 0.18 -0.85 0.40 0.00 -0.02 0.00 0.00 31.44 31.15 1gm0 n GLU 31 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1gm0 h ASP 32 N 0.00 0.00 -0.56 1.62 3.58 -0.80 0.10 116.42 120.36 1gm0 h ASP 32 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1gm0 h ASP 32 Cb 0.60 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1gm0 h ASP 32 CO 0.00 0.35 0.33 0.15 -2.88 0.00 0.00 179.24 177.19 1gm0 h PHE 33 N 0.00 0.61 -0.29 0.28 3.57 -1.69 -2.85 116.94 116.57 1gm0 h PHE 33 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1gm0 h PHE 33 Cb 0.76 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1gm0 h PHE 33 CO 0.00 0.34 -0.44 1.88 -2.23 0.00 0.00 178.31 177.86 1gm0 h TYR 34 N 0.65 0.89 -0.93 0.41 -1.99 -1.51 -3.04 116.97 111.44 1gm0 h TYR 34 Ca 0.23 -0.28 0.21 0.00 2.00 0.00 0.00 58.73 60.89 1gm0 h TYR 34 Cb 0.05 -0.18 -0.07 0.00 2.00 0.00 0.00 36.73 38.52 1gm0 h TYR 34 CO -0.07 1.04 0.61 -0.91 -0.00 0.00 0.00 178.16 178.84 1gm0 h ASN 35 N 0.59 0.43 -1.00 3.88 2.35 -0.79 -2.62 115.58 118.43 1gm0 h ASN 35 Ca 0.04 0.05 0.24 0.00 -0.55 0.00 0.00 56.30 56.08 1gm0 h ASN 35 Cb 0.99 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 39.25 1gm0 h ASN 35 CO 0.09 0.16 0.65 0.15 -1.65 0.00 0.00 177.43 176.83 1gm0 h PHE 36 N 0.42 0.66 -0.01 1.19 3.57 -1.42 -2.35 116.94 119.00 1gm0 h PHE 36 Ca 0.49 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.01 1gm0 h PHE 36 Cb 1.21 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1gm0 h PHE 36 CO -0.00 0.10 -0.17 0.91 -2.23 0.00 0.00 178.31 176.93 1gm0 n TRP 37 N -4.60 0.00 -2.44 0.41 8.01 -0.99 -4.83 117.44 113.01 1gm0 n TRP 37 Ca 0.23 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.03 1gm0 n TRP 37 Cb 0.80 -0.11 -0.04 0.00 -2.01 0.00 0.00 31.31 29.95 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 -2.39 4.48 0.28 -0.99 1.02 -0.89 -4.99 119.74 116.26 1gm0 s LYS 38 Ca 0.29 1.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.77 1gm0 s LYS 38 Cb 0.20 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1gm0 s LYS 38 CO 0.47 0.07 1.23 -1.21 -0.92 0.00 0.00 175.35 174.99 1gm0 s GLU 39 N -1.74 4.46 0.00 1.68 2.02 -1.26 -2.98 118.70 120.89 1gm0 s GLU 39 Ca 0.48 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.50 1gm0 s GLU 39 Cb -0.31 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1gm0 s GLU 39 CO 0.39 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.02 1gm0 n GLY 40 N 1.32 0.69 3.57 -1.39 0.00 -1.26 -5.01 105.19 103.11 1gm0 n GLY 40 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.85 3.17 -0.58 1.61 2.02 -1.16 -5.04 117.35 114.52 1gm0 s TYR 41 Ca 0.00 0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 57.00 1gm0 s TYR 41 Cb 0.00 -3.08 0.15 0.00 -0.40 0.00 0.00 41.96 38.63 1gm0 s TYR 41 CO 0.00 -0.58 0.44 -1.21 -1.57 0.00 0.00 175.55 172.63 1gm0 s GLU 42 N 2.65 2.67 -0.99 -0.62 2.02 -1.26 -4.86 118.70 118.31 1gm0 s GLU 42 Ca 0.24 -2.12 -0.12 0.00 0.02 0.00 0.00 54.97 52.98 1gm0 s GLU 42 Cb -0.15 -3.94 0.23 0.00 0.10 0.00 0.00 34.13 30.38 1gm0 s GLU 42 CO 0.14 -1.20 1.01 0.42 0.02 0.00 0.00 175.26 175.65 1gm0 s ILE 43 N 0.70 5.64 -1.83 -1.63 1.09 -1.26 -4.85 121.20 119.07 1gm0 s ILE 43 Ca 0.11 -2.81 0.14 0.00 -1.10 0.00 0.00 60.65 57.00 1gm0 s ILE 43 Cb -0.21 -4.60 0.44 0.00 -1.06 0.00 0.00 42.46 37.03 1gm0 s ILE 43 CO -0.03 -1.20 1.35 0.29 -0.10 0.00 0.00 174.94 175.25 1gm0 n LYS 44 N 3.83 2.28 -1.44 2.79 5.02 -1.26 -4.95 118.16 124.44 1gm0 n LYS 44 Ca 0.21 -1.77 -0.31 0.00 -2.02 0.00 0.00 58.31 54.43 1gm0 n LYS 44 Cb 0.44 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1gm0 s ASN 45 N -0.94 4.69 0.06 4.39 2.47 -1.26 -4.99 114.94 119.36 1gm0 s ASN 45 Ca 0.33 1.58 -0.35 0.00 0.42 0.00 0.00 52.86 54.84 1gm0 s ASN 45 Cb 0.18 -2.35 -0.19 0.00 -1.45 0.00 0.00 41.25 37.44 1gm0 s ASN 45 CO 0.21 -1.88 1.53 0.03 -3.72 0.00 0.00 177.10 173.27 1gm0 h ARG 46 N -1.02 -1.15 -0.32 0.43 3.08 -1.95 -3.34 114.38 110.11 1gm0 h ARG 46 Ca -0.45 0.08 0.09 0.00 0.07 0.00 0.00 59.98 59.77 1gm0 h ARG 46 Cb 1.24 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 1gm0 h ARG 46 CO 0.56 -0.77 0.33 0.93 -1.07 0.00 0.00 179.97 179.94 1gm0 h GLU 47 N -1.20 0.00 0.13 0.04 5.08 -1.94 0.14 114.58 116.84 1gm0 h GLU 47 Ca -0.11 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1gm0 h GLU 47 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1gm0 h GLU 47 CO 0.14 0.00 -0.23 1.15 -1.00 0.00 0.00 179.01 179.07 1gm0 h THR 48 N 0.00 0.48 -0.57 1.13 2.02 -1.94 0.43 112.91 114.46 1gm0 h THR 48 Ca 0.15 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1gm0 h THR 48 Cb 0.80 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1gm0 h THR 48 CO -0.00 0.00 0.04 1.23 0.37 0.00 0.00 175.52 177.16 1gm0 h GLY 49 N -0.44 1.07 0.24 2.16 0.00 -0.91 -1.69 103.07 103.50 1gm0 h GLY 49 Ca 0.02 -0.76 0.05 0.00 0.00 0.00 0.00 47.33 46.65 1gm0 h GLY 49 CO -0.12 0.70 -0.22 0.00 0.00 0.00 0.00 176.54 176.89 1gm0 h ALA 51 N 0.78 -0.10 -0.03 0.00 0.00 -0.67 0.06 119.26 119.29 1gm0 h ALA 51 Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1gm0 h ALA 51 Cb 0.43 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1gm0 h ALA 51 CO -0.34 -0.59 -0.24 0.82 0.00 0.00 0.00 179.25 178.90 1gm0 h ILE 52 N -0.17 0.45 0.00 0.00 2.04 -0.92 0.11 117.51 119.02 1gm0 h ILE 52 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1gm0 h ILE 52 Cb 0.23 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1gm0 h ILE 52 CO -0.11 0.00 -0.30 -0.03 0.00 0.00 0.00 178.15 177.71 1gm0 h MET 53 N -0.36 0.00 0.01 2.37 4.05 -0.56 0.38 114.93 120.83 1gm0 h MET 53 Ca 0.07 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.23 1gm0 h MET 53 Cb 0.45 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1gm0 h MET 53 CO -0.23 0.30 -1.03 0.00 0.23 0.00 0.00 176.91 176.17 1gm0 h LEU 55 N 0.35 0.00 0.00 0.00 3.38 0.58 -1.78 115.31 117.85 1gm0 h LEU 55 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gm0 h LEU 55 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1gm0 h LEU 55 CO 0.20 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 1gm0 n SER 56 N -3.09 0.00 -0.57 -0.43 3.41 -0.01 -1.21 113.62 111.72 1gm0 n SER 56 Ca -0.01 -0.03 0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1gm0 n SER 56 Cb 0.23 -0.24 0.19 0.00 -0.26 0.00 0.00 64.21 64.13 1gm0 n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1gm0 n THR 57 N -1.24 2.18 -1.25 6.66 5.66 -0.67 -4.63 114.28 120.99 1gm0 n THR 57 Ca 0.08 -2.67 0.03 0.00 -3.05 0.00 0.00 64.05 58.44 1gm0 n THR 57 Cb 0.12 -0.26 0.04 0.00 -1.55 0.00 0.00 70.33 68.68 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 -1.15 0.80 -0.31 1.09 4.76 -0.35 -4.87 118.16 118.13 1gm0 n LYS 58 Ca 0.21 -1.43 0.08 0.00 -2.87 0.00 0.00 58.31 54.31 1gm0 n LYS 58 Cb 0.76 -0.86 0.25 0.00 -1.84 0.00 0.00 35.03 33.34 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 0.00 0.58 -2.31 -0.35 3.38 -1.82 0.14 115.31 114.93 1gm0 h LEU 59 Ca 0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gm0 h LEU 59 Cb 1.08 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1gm0 h LEU 59 CO 0.00 0.23 0.23 -0.55 0.09 0.00 0.00 178.44 178.44 1gm0 h ASN 60 N 0.65 0.00 0.11 -0.43 -1.07 -1.83 0.82 115.58 113.83 1gm0 h ASN 60 Ca 0.49 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.57 1gm0 h ASN 60 Cb 0.71 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.95 1gm0 h ASN 60 CO -0.37 0.00 -1.54 0.24 0.07 0.00 0.00 177.43 175.83 1gm0 h MET 61 N 0.00 0.23 -0.02 4.14 2.86 -1.12 -3.42 114.93 117.60 1gm0 h MET 61 Ca 0.02 -0.40 -0.05 0.00 -2.06 0.00 0.00 59.70 57.21 1gm0 h MET 61 Cb 0.48 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1gm0 h MET 61 CO -0.00 1.19 -0.19 -0.07 1.06 0.00 0.00 176.91 178.90 1gm0 h LEU 62 N -0.27 0.21 -8.26 1.22 3.38 -0.74 -3.42 115.31 107.42 1gm0 h LEU 62 Ca -0.34 -0.70 -0.67 0.00 0.09 0.00 0.00 57.88 56.26 1gm0 h LEU 62 Cb 1.79 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 42.30 1gm0 h LEU 62 CO 0.04 0.88 0.23 -0.62 0.09 0.00 0.00 178.44 179.06 1gm0 s ASP 63 N -6.20 6.20 0.39 -0.43 2.15 0.12 -0.86 116.67 118.05 1gm0 s ASP 63 Ca -0.16 -1.12 0.16 0.00 0.43 0.00 0.00 52.55 51.86 1gm0 s ASP 63 Cb 0.01 -2.34 0.81 0.00 -0.30 0.00 0.00 42.92 41.11 1gm0 s ASP 63 CO 0.73 -1.14 1.83 1.55 -0.17 0.00 0.00 175.17 177.97 1gm0 h PRO 64 N 9.24 0.00 0.00 4.34 0.13 -1.86 -0.85 132.00 143.00 1gm0 h PRO 64 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1gm0 h PRO 64 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1gm0 h PRO 64 CO 1.09 0.34 -0.05 0.93 -0.23 0.00 0.00 178.00 180.08 1gm0 h GLU 65 N 0.00 0.00 0.00 0.86 5.08 -1.96 -3.46 114.58 115.09 1gm0 h GLU 65 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gm0 h GLU 65 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1gm0 h GLU 65 CO 0.04 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 1gm0 n GLY 66 N -0.30 0.35 0.22 -3.84 0.00 -0.33 -4.87 105.19 96.42 1gm0 n GLY 66 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -2.37 1.61 -0.26 -1.90 -3.42 115.58 109.24 1gm0 h ASN 67 Ca 0.00 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.09 1gm0 h ASN 67 Cb 0.34 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.45 1gm0 h ASN 67 CO 0.00 0.13 0.79 -0.22 -1.06 0.00 0.00 177.43 177.06 1gm0 s LEU 68 N -6.35 4.49 0.57 1.61 2.96 -1.26 -4.52 118.68 116.17 1gm0 s LEU 68 Ca 0.04 -1.43 -0.05 0.00 -0.22 0.00 0.00 54.13 52.47 1gm0 s LEU 68 Cb 0.07 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.33 1gm0 s LEU 68 CO 0.65 -1.32 0.87 -1.00 -1.32 0.00 0.00 176.35 174.22 1gm0 s HIS 69 N 3.71 3.26 0.13 5.38 3.76 -1.21 -4.67 115.29 125.66 1gm0 s HIS 69 Ca 0.29 0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 55.50 1gm0 s HIS 69 Cb -0.10 -2.67 -0.06 0.00 1.11 0.00 0.00 32.58 30.85 1gm0 s HIS 69 CO 0.00 -0.75 1.09 -1.58 -0.85 0.00 0.00 174.74 172.65 1gm0 s HIS 70 N -2.93 3.60 0.00 1.40 2.46 -1.26 -3.30 115.29 115.26 1gm0 s HIS 70 Ca 0.53 1.58 0.00 0.00 0.47 0.00 0.00 55.06 57.64 1gm0 s HIS 70 Cb -0.10 -3.25 0.00 0.00 -0.13 0.00 0.00 32.58 29.09 1gm0 s HIS 70 CO 0.44 -0.56 0.00 0.41 -2.47 0.00 0.00 174.74 172.57 1gm0 n GLY 71 N 2.40 0.41 2.41 1.59 0.00 0.10 -4.88 105.19 107.22 1gm0 n GLY 71 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.05 -0.26 -2.06 1.61 2.85 -1.21 -4.98 115.26 111.16 1gm0 n ASN 72 Ca 0.00 -2.44 -0.24 0.00 -0.11 0.00 0.00 54.58 51.79 1gm0 n ASN 72 Cb 0.03 -0.57 0.02 0.00 1.24 0.00 0.00 39.78 40.50 1gm0 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gm0 n ALA 73 N 2.71 5.00 0.01 5.20 0.00 -1.26 -3.28 120.51 128.89 1gm0 n ALA 73 Ca 0.29 -3.81 -0.22 0.00 0.00 0.00 0.00 53.44 49.70 1gm0 n ALA 73 Cb 0.48 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 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 2.21 0.26 -0.10 0.00 2.86 -1.93 -3.31 114.93 114.92 1gm0 h MET 74 Ca 0.36 -0.45 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 1gm0 h MET 74 Cb 1.50 0.17 0.01 0.00 0.06 0.00 0.00 31.60 33.33 1gm0 h MET 74 CO 0.76 1.21 -0.51 0.93 1.06 0.00 0.00 176.91 180.37 1gm0 h GLU 75 N -0.14 0.51 -0.76 1.72 5.08 -1.89 0.26 114.58 119.37 1gm0 h GLU 75 Ca -0.37 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.51 1gm0 h GLU 75 Cb 1.90 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 1gm0 h GLU 75 CO 0.07 1.05 0.25 0.35 -1.00 0.00 0.00 179.01 179.73 1gm0 h PHE 76 N 0.11 1.21 -0.39 4.33 3.04 -1.80 -2.94 116.94 120.50 1gm0 h PHE 76 Ca -0.04 -0.12 0.01 0.00 3.98 0.00 0.00 57.97 61.80 1gm0 h PHE 76 Cb 1.15 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1gm0 h PHE 76 CO 0.12 0.95 0.25 0.00 -2.02 0.00 0.00 178.31 177.60 1gm0 h ALA 77 N 1.13 0.50 -0.86 2.41 0.00 -1.62 -2.82 119.26 118.00 1gm0 h ALA 77 Ca 0.25 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.28 1gm0 h ALA 77 Cb 0.30 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1gm0 h ALA 77 CO -0.01 -0.07 0.56 0.87 0.00 0.00 0.00 179.25 180.61 1gm0 h LYS 78 N 0.51 0.62 -0.18 0.00 1.57 -0.17 -0.34 116.57 118.59 1gm0 h LYS 78 Ca 0.15 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1gm0 h LYS 78 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1gm0 h LYS 78 CO -0.05 0.41 0.09 0.87 -0.57 0.00 0.00 179.45 180.20 1gm0 h LYS 79 N 0.64 0.24 -0.00 3.15 1.57 -1.36 -0.58 116.57 120.23 1gm0 h LYS 79 Ca 0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1gm0 h LYS 79 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1gm0 h LYS 79 CO -0.19 0.19 -0.13 0.72 -0.57 0.00 0.00 179.45 179.47 1gm0 n HIS 80 N -4.48 0.00 -0.37 -1.35 8.25 -0.18 -4.90 115.22 112.20 1gm0 n HIS 80 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1gm0 n HIS 80 Cb 0.10 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 1.30 0.81 3.44 -1.41 0.00 -0.22 -4.95 105.19 104.16 1gm0 n GLY 81 Ca 0.14 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.27 1.03 4.61 0.00 -0.97 -4.96 121.76 122.74 1gm0 s ALA 82 Ca 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 51.96 50.10 1gm0 s ALA 82 Cb 0.00 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.60 1gm0 s ALA 82 CO 0.00 -2.38 0.46 -0.40 0.00 0.00 0.00 175.76 173.44 1gm0 n ASP 83 N 6.89 -0.38 -0.31 0.00 5.68 -1.26 -1.84 116.55 125.33 1gm0 n ASP 83 Ca -0.05 -1.05 0.01 0.00 -0.50 0.00 0.00 54.79 53.20 1gm0 n ASP 83 Cb 0.45 -0.37 0.14 0.00 -1.14 0.00 0.00 41.12 40.20 1gm0 n ASP 83 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1gm0 h GLU 84 N 0.00 0.96 0.03 0.11 4.81 -1.96 0.79 114.58 119.31 1gm0 h GLU 84 Ca -0.16 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.76 1gm0 h GLU 84 Cb 0.44 -0.22 0.02 0.00 0.63 0.00 0.00 28.75 29.63 1gm0 h GLU 84 CO 0.11 0.63 -1.02 1.15 -0.73 0.00 0.00 179.01 179.15 1gm0 h THR 85 N 0.99 1.30 -0.73 0.32 2.02 -1.98 0.12 112.91 114.95 1gm0 h THR 85 Ca 0.38 -2.27 0.05 0.00 0.77 0.00 0.00 66.41 65.34 1gm0 h THR 85 Cb 0.16 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 69.02 1gm0 h THR 85 CO -0.17 0.69 0.43 0.24 0.37 0.00 0.00 175.52 177.08 1gm0 h MET 86 N 0.28 0.78 0.37 6.66 2.86 -1.86 0.09 114.93 124.12 1gm0 h MET 86 Ca -0.14 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1gm0 h MET 86 Cb 1.69 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1gm0 h MET 86 CO 0.20 0.51 -0.18 0.00 1.06 0.00 0.00 176.91 178.50 1gm0 h ALA 87 N 1.35 -0.50 -0.82 6.32 0.00 -0.78 -3.05 119.26 121.79 1gm0 h ALA 87 Ca 0.32 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1gm0 h ALA 87 Cb 0.15 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1gm0 h ALA 87 CO -0.16 -0.77 0.53 0.37 0.00 0.00 0.00 179.25 179.22 1gm0 h GLN 88 N -0.53 0.73 -0.03 0.00 5.75 -0.04 0.22 115.11 121.21 1gm0 h GLN 88 Ca -0.05 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1gm0 h GLN 88 Cb 0.40 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 1gm0 h GLN 88 CO 0.08 0.49 -0.40 1.96 -2.65 0.00 0.00 178.83 178.31 1gm0 h GLN 89 N 0.76 -0.52 -0.47 1.69 1.08 -1.02 -1.44 115.11 115.19 1gm0 h GLN 89 Ca 0.38 0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.52 1gm0 h GLN 89 Cb 0.46 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1gm0 h GLN 89 CO -0.15 -0.34 -0.08 -0.07 -0.95 0.00 0.00 178.83 177.24 1gm0 h LEU 90 N -0.54 0.83 -0.30 1.46 3.38 -0.59 -2.66 115.31 116.90 1gm0 h LEU 90 Ca 0.06 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1gm0 h LEU 90 Cb 0.63 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1gm0 h LEU 90 CO -0.33 0.94 0.14 0.40 0.09 0.00 0.00 178.44 179.69 1gm0 h ILE 91 N 0.77 0.98 -0.52 1.22 1.08 -0.54 0.10 117.51 120.60 1gm0 h ILE 91 Ca 0.13 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1gm0 h ILE 91 Cb 0.58 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1gm0 h ILE 91 CO 0.04 0.05 0.25 -0.78 -0.69 0.00 0.00 178.15 177.02 1gm0 h ASP 92 N 0.30 0.68 -0.38 1.72 1.82 -1.17 -2.56 116.42 116.84 1gm0 h ASP 92 Ca 0.13 -0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1gm0 h ASP 92 Cb 0.05 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 39.84 1gm0 h ASP 92 CO -0.09 0.62 0.08 0.40 -1.61 0.00 0.00 179.24 178.64 1gm0 h ILE 93 N 0.69 0.81 -0.49 2.25 2.04 -1.08 0.22 117.51 121.95 1gm0 h ILE 93 Ca 0.18 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1gm0 h ILE 93 Cb 0.13 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 36.71 1gm0 h ILE 93 CO -0.02 0.04 -0.04 0.58 0.00 0.00 0.00 178.15 178.70 1gm0 h VAL 94 N 0.20 0.57 -0.18 1.67 2.07 -0.39 0.01 116.25 120.20 1gm0 h VAL 94 Ca 0.18 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 1gm0 h VAL 94 Cb 0.21 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1gm0 h VAL 94 CO -0.24 0.01 -0.22 0.45 0.02 0.00 0.00 177.57 177.60 1gm0 h HIS 95 N 0.07 0.57 -0.86 1.57 3.86 -1.32 -1.68 115.15 117.36 1gm0 h HIS 95 Ca 0.24 -0.18 0.25 0.00 -1.16 0.00 0.00 60.37 59.53 1gm0 h HIS 95 Cb 0.37 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1gm0 h HIS 95 CO -0.35 0.85 0.62 0.78 0.86 0.00 0.00 177.93 180.70 1gm0 h GLY 96 N 0.12 0.01 0.69 2.45 0.00 0.31 -1.43 103.07 105.23 1gm0 h GLY 96 Ca 0.02 -0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 1gm0 h GLY 96 CO 0.05 -0.00 -1.93 0.00 0.00 0.00 0.00 176.54 174.66 1gm0 h GLU 98 N 0.03 0.58 0.00 0.00 5.08 -0.41 -2.36 114.58 117.50 1gm0 h GLU 98 Ca -0.38 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 57.68 1gm0 h GLU 98 Cb 2.03 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.11 1gm0 h GLU 98 CO 0.07 0.38 -1.72 1.63 -1.00 0.00 0.00 179.01 178.37 1gm0 n LYS 99 N -4.52 0.64 -0.12 2.33 5.02 -0.62 -3.92 118.16 116.96 1gm0 n LYS 99 Ca 0.16 0.23 -0.08 0.00 -2.02 0.00 0.00 58.31 56.60 1gm0 n LYS 99 Cb 0.47 -1.76 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1gm0 n LYS 99 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1gm0 h SER 100 N 0.00 0.85 -3.55 4.39 4.64 -1.07 -3.44 113.55 115.37 1gm0 h SER 100 Ca -0.28 -0.28 -0.52 0.00 -0.47 0.00 0.00 61.79 60.24 1gm0 h SER 100 Cb 1.92 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 63.79 1gm0 h SER 100 CO 0.06 1.00 0.54 -0.89 -0.87 0.00 0.00 176.83 176.66 1gm0 s THR 101 N -4.76 3.59 0.22 2.95 2.01 -0.90 -4.99 115.64 113.76 1gm0 s THR 101 Ca -0.10 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.98 1gm0 s THR 101 Cb 0.13 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1gm0 s THR 101 CO 0.84 0.24 1.38 -2.16 -0.69 0.00 0.00 174.62 174.23 1gm0 s PRO 102 N -0.46 4.33 -0.73 4.92 0.04 -1.26 -4.88 135.00 136.95 1gm0 s PRO 102 Ca 0.51 2.18 -0.26 0.00 0.04 0.00 0.00 61.00 63.48 1gm0 s PRO 102 Cb -0.32 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 1gm0 s PRO 102 CO 0.37 -0.34 2.12 0.00 0.04 0.00 0.00 177.00 179.20 1gm0 s ALA 103 N 0.06 1.53 0.42 8.56 0.00 -1.26 -4.87 121.76 126.20 1gm0 s ALA 103 Ca 0.58 -0.86 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 1gm0 s ALA 103 Cb -0.39 -4.47 -0.09 0.00 0.00 0.00 0.00 23.12 18.18 1gm0 s ALA 103 CO 0.41 -4.82 1.07 1.21 0.00 0.00 0.00 175.76 173.63 1gm0 s ASN 104 N 9.50 6.61 0.27 0.00 3.84 -1.26 -4.96 114.94 128.94 1gm0 s ASN 104 Ca 0.80 2.08 -0.04 0.00 0.21 0.00 0.00 52.86 55.91 1gm0 s ASN 104 Cb -0.11 -2.59 0.55 0.00 -0.55 0.00 0.00 41.25 38.54 1gm0 s ASN 104 CO 0.11 -0.59 1.60 -0.78 -2.79 0.00 0.00 177.10 174.65 1gm0 h ASP 105 N 2.34 -0.48 -3.47 -4.21 3.58 -2.02 -3.41 116.42 108.76 1gm0 h ASP 105 Ca -0.49 0.24 -0.61 0.00 0.42 0.00 0.00 57.03 56.60 1gm0 h ASP 105 Cb 1.22 0.43 -0.11 0.00 1.72 0.00 0.00 39.33 42.60 1gm0 h ASP 105 CO 0.62 -0.26 0.36 -0.62 -2.88 0.00 0.00 179.24 176.45 1gm0 s ASP 106 N -5.14 6.61 0.48 2.28 2.15 -1.26 -4.92 116.67 116.87 1gm0 s ASP 106 Ca -0.13 0.56 0.14 0.00 0.43 0.00 0.00 52.55 53.54 1gm0 s ASP 106 Cb 0.25 -2.39 1.12 0.00 -0.30 0.00 0.00 42.92 41.60 1gm0 s ASP 106 CO 0.77 -0.62 2.09 0.50 -0.17 0.00 0.00 175.17 177.73 1gm0 h LYS 107 N 8.21 0.22 0.42 4.34 1.63 -1.99 -0.39 116.57 129.01 1gm0 h LYS 107 Ca -0.25 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 1gm0 h LYS 107 Cb 1.10 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1gm0 h LYS 107 CO 0.88 0.15 -0.20 0.00 -3.45 0.00 0.00 179.45 176.82 1gm0 h ILE 109 N -0.65 0.97 0.66 0.00 2.04 -1.78 -0.40 117.51 118.35 1gm0 h ILE 109 Ca -0.06 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1gm0 h ILE 109 Cb 0.43 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1gm0 h ILE 109 CO 0.10 0.15 -0.46 -0.25 0.00 0.00 0.00 178.15 177.69 1gm0 h TRP 110 N 0.83 -1.22 -0.19 1.37 7.01 -1.06 -2.62 115.95 120.06 1gm0 h TRP 110 Ca 0.39 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.42 1gm0 h TRP 110 Cb 0.40 0.45 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1gm0 h TRP 110 CO -0.00 -0.67 0.13 1.15 -2.79 0.00 0.00 178.44 176.27 1gm0 h THR 111 N -1.07 0.95 0.20 2.65 2.02 -0.03 -0.30 112.91 117.33 1gm0 h THR 111 Ca -0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1gm0 h THR 111 Cb 0.88 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1gm0 h THR 111 CO 0.05 0.02 -0.09 0.25 0.37 0.00 0.00 175.52 176.11 1gm0 h LEU 112 N 0.08 -0.22 -0.41 2.58 7.12 -1.04 -0.10 115.31 123.32 1gm0 h LEU 112 Ca 0.09 -0.17 0.09 0.00 0.13 0.00 0.00 57.88 58.01 1gm0 h LEU 112 Cb 0.24 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.34 1gm0 h LEU 112 CO -0.01 0.05 -0.20 1.23 -0.13 0.00 0.00 178.44 179.38 1gm0 h GLY 113 N -0.50 0.10 0.69 3.75 0.00 -0.73 -0.16 103.07 106.22 1gm0 h GLY 113 Ca -0.03 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1gm0 h GLY 113 CO 0.04 -0.20 -0.19 -2.08 0.00 0.00 0.00 176.54 174.11 1gm0 h VAL 114 N -0.12 0.56 -0.97 4.60 2.07 -1.13 -1.45 116.25 119.81 1gm0 h VAL 114 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1gm0 h VAL 114 Cb 0.43 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1gm0 h VAL 114 CO -0.48 0.00 0.64 0.00 0.02 0.00 0.00 177.57 177.75 1gm0 h ALA 115 N 0.43 1.25 0.00 1.67 0.00 -0.60 -0.38 119.26 121.63 1gm0 h ALA 115 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gm0 h ALA 115 Cb 0.39 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gm0 h ALA 115 CO -0.10 0.60 0.00 1.15 0.00 0.00 0.00 179.25 180.90 1gm0 h THR 116 N 1.30 0.00 0.07 0.00 2.02 -0.75 -1.79 112.91 113.75 1gm0 h THR 116 Ca 0.36 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1gm0 h THR 116 Cb -0.11 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1gm0 h THR 116 CO -0.09 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.32 1gm0 h PHE 118 N -0.55 -0.76 -0.98 0.00 3.57 -0.29 -0.67 116.94 117.27 1gm0 h PHE 118 Ca -0.08 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.58 1gm0 h PHE 118 Cb 1.34 0.31 -0.15 0.00 2.79 0.00 0.00 35.95 40.23 1gm0 h PHE 118 CO 0.21 -0.39 -0.41 -0.22 -2.23 0.00 0.00 178.31 175.27 1gm0 h LYS 119 N -0.53 -0.01 -0.37 1.11 3.11 -1.63 -0.26 116.57 117.99 1gm0 h LYS 119 Ca 0.02 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 1gm0 h LYS 119 Cb 0.53 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1gm0 h LYS 119 CO -0.13 -0.01 0.13 0.00 -2.81 0.00 0.00 179.45 176.64 1gm0 h ALA 120 N 1.26 0.48 -0.67 5.00 0.00 -1.47 -3.01 119.26 120.85 1gm0 h ALA 120 Ca 0.32 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1gm0 h ALA 120 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1gm0 h ALA 120 CO -0.97 0.10 0.45 0.93 0.00 0.00 0.00 179.25 179.76 1gm0 h GLU 121 N 0.44 0.87 -0.44 0.00 4.39 0.40 0.13 114.58 120.37 1gm0 h GLU 121 Ca 0.12 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1gm0 h GLU 121 Cb 0.22 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1gm0 h GLU 121 CO -0.01 0.57 0.30 0.82 -1.16 0.00 0.00 179.01 179.54 1gm0 h ILE 122 N 0.89 0.91 -0.02 3.13 2.04 -1.01 -0.33 117.51 123.12 1gm0 h ILE 122 Ca 0.25 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 1gm0 h ILE 122 Cb -0.08 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1gm0 h ILE 122 CO -0.06 0.05 -0.34 -0.74 0.00 0.00 0.00 178.15 177.06 1gm0 h HIS 123 N 0.26 0.04 0.00 1.37 2.76 -0.95 -2.02 115.15 116.61 1gm0 h HIS 123 Ca 0.20 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1gm0 h HIS 123 Cb 0.46 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1gm0 h HIS 123 CO -0.00 0.38 -0.14 0.87 -1.30 0.00 0.00 177.93 177.74 1gm0 h LYS 124 N 0.03 0.00 -7.30 5.26 1.57 -0.99 -3.45 116.57 111.70 1gm0 h LYS 124 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1gm0 h LYS 124 Cb 0.62 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.09 1gm0 h LYS 124 CO 0.05 0.14 0.27 -0.51 -0.57 0.00 0.00 179.45 178.82 1gm0 s LEU 125 N -6.60 2.69 0.17 2.94 1.43 -0.76 -4.96 118.68 113.58 1gm0 s LEU 125 Ca 0.01 1.80 0.24 0.00 -1.03 0.00 0.00 54.13 55.15 1gm0 s LEU 125 Cb 0.10 -4.32 0.36 0.00 0.03 0.00 0.00 46.19 42.35 1gm0 s LEU 125 CO 0.60 -2.52 1.36 -1.13 0.23 0.00 0.00 176.35 174.89 1gm0 h ASN 126 N -1.47 0.00 -0.52 2.29 -1.24 -1.87 -3.47 115.58 109.30 1gm0 h ASN 126 Ca -0.46 -0.14 -0.65 0.00 0.71 0.00 0.00 56.30 55.77 1gm0 h ASN 126 Cb 1.26 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.20 1gm0 h ASN 126 CO 0.50 0.07 -0.46 -1.66 -1.29 0.00 0.00 177.43 174.59 1gm0 s TRP 127 N -3.19 1.86 -0.12 0.67 1.48 -1.26 -5.15 118.94 113.22 1gm0 s TRP 127 Ca 0.06 -0.89 -0.03 0.00 -1.06 0.00 0.00 56.10 54.17 1gm0 s TRP 127 Cb 0.12 -1.72 0.05 0.00 -1.16 0.00 0.00 33.47 30.76 1gm0 s TRP 127 CO 0.71 0.04 0.06 0.00 -4.06 0.00 0.00 176.95 173.70 1gm0 s ALA 128 N -2.83 0.51 0.78 2.67 0.00 -1.26 -4.92 121.76 116.70 1gm0 s ALA 128 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1gm0 s ALA 128 Cb 0.01 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.30 1gm0 s ALA 128 CO 0.10 -0.87 1.12 -2.14 0.00 0.00 0.00 175.76 173.96 1gm0 s PRO 129 N 2.08 2.06 0.83 0.00 0.02 -1.26 -5.04 135.00 133.68 1gm0 s PRO 129 Ca 0.03 1.36 -0.11 0.00 0.02 0.00 0.00 61.00 62.29 1gm0 s PRO 129 Cb -0.14 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.61 1gm0 s PRO 129 CO -0.07 -1.82 1.14 -1.12 -0.33 0.00 0.00 177.00 174.81 1gm0 s SER 130 N -2.93 3.69 0.11 2.53 0.01 -1.26 -4.85 113.70 111.00 1gm0 s SER 130 Ca 0.65 2.13 -0.18 0.00 1.31 0.00 0.00 55.95 59.85 1gm0 s SER 130 Cb -0.20 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 1gm0 s SER 130 CO 0.53 -2.59 1.67 0.24 0.41 0.00 0.00 173.24 173.50 1gm0 h MET 131 N -1.25 0.41 -0.94 12.44 2.86 -1.98 -1.86 114.93 124.61 1gm0 h MET 131 Ca -0.44 -0.06 0.28 0.00 -2.06 0.00 0.00 59.70 57.41 1gm0 h MET 131 Cb 1.26 -0.07 -0.15 0.00 0.06 0.00 0.00 31.60 32.70 1gm0 h MET 131 CO 0.46 0.41 0.35 -0.44 1.06 0.00 0.00 176.91 178.75 1gm0 h ASP 132 N 0.31 0.16 0.06 1.22 5.19 -1.98 0.12 116.42 121.50 1gm0 h ASP 132 Ca 0.09 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1gm0 h ASP 132 Cb 0.14 0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1gm0 h ASP 132 CO -0.01 -0.19 -0.03 0.58 -3.12 0.00 0.00 179.24 176.47 1gm0 h VAL 133 N 0.21 0.00 0.00 -1.35 2.07 -1.85 -1.57 116.25 113.77 1gm0 h VAL 133 Ca 0.64 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 68.11 1gm0 h VAL 133 Cb 1.40 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1gm0 h VAL 133 CO -0.67 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.92 1gm0 h ALA 134 N -1.92 1.00 0.11 1.67 0.00 -0.61 0.19 119.26 119.70 1gm0 h ALA 134 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1gm0 h ALA 134 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1gm0 h ALA 134 CO 0.01 0.00 -1.87 0.28 0.00 0.00 0.00 179.25 177.68 1gm0 h VAL 135 N 0.00 0.69 -0.55 0.00 2.07 -0.93 -3.21 116.25 114.32 1gm0 h VAL 135 Ca 0.00 -2.33 0.11 0.00 0.82 0.00 0.00 66.70 65.30 1gm0 h VAL 135 Cb 0.13 2.49 -0.10 0.00 -1.52 0.00 0.00 31.29 32.29 1gm0 h VAL 135 CO 0.00 0.81 -0.08 1.23 0.02 0.00 0.00 177.57 179.56 1gm0 h GLY 136 N 0.75 0.48 0.33 2.17 0.00 0.07 -3.14 103.07 103.73 1gm0 h GLY 136 Ca -0.41 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1gm0 h GLY 136 CO 0.05 -0.19 -0.02 0.83 0.00 0.00 0.00 176.54 177.21 1gm0 h GLU 137 N 0.05 0.02 -0.82 4.80 5.08 -0.88 -1.02 114.58 121.81 1gm0 h GLU 137 Ca 0.27 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1gm0 h GLU 137 Cb 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1gm0 h GLU 137 CO -0.52 0.71 0.54 0.97 -1.00 0.00 0.00 179.01 179.70 1gm0 h ILE 138 N -0.66 0.99 0.08 3.13 2.10 -1.61 -0.95 117.51 120.61 1gm0 h ILE 138 Ca -0.00 -0.29 -0.27 0.00 1.08 0.00 0.00 64.86 65.38 1gm0 h ILE 138 Cb 0.71 0.09 0.02 0.00 -1.09 0.00 0.00 36.82 36.55 1gm0 h ILE 138 CO 0.00 0.15 -1.15 -0.07 -1.08 0.00 0.00 178.15 176.01 1gm0 h LEU 139 N 0.83 0.67 -0.79 2.19 3.38 -1.54 -0.96 115.31 119.09 1gm0 h LEU 139 Ca 0.37 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1gm0 h LEU 139 Cb 0.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1gm0 h LEU 139 CO -0.14 1.43 0.10 0.00 0.09 0.00 0.00 178.44 179.92 1gm0 n ALA 140 N -2.60 0.87 0.00 1.53 0.00 -0.39 -4.20 120.51 115.72 1gm0 n ALA 140 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1gm0 n ALA 140 Cb 0.94 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.91 0.00 0.00 0.00 1.02 -0.88 0.03 120.64 118.90 1gm0 n GLU 141 Ca -0.01 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.29 1gm0 n GLU 141 Cb 0.12 -0.50 0.95 0.00 -0.02 0.00 0.00 31.44 31.99 1gm0 n GLU 141 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86