#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 4.04 -0.57 1.43 -2.07 -1.26 -4.97 119.66 116.26 1gm0 s GLN 2 Ca 0.00 -0.28 -0.02 0.00 -1.82 0.00 0.00 55.36 53.24 1gm0 s GLN 2 Cb 0.00 -3.54 0.36 0.00 -1.09 0.00 0.00 33.01 28.74 1gm0 s GLN 2 CO 0.00 0.03 2.06 0.39 -1.32 0.00 0.00 175.29 176.45 1gm0 n GLU 3 N 4.39 2.43 -3.64 9.60 1.02 -1.26 -4.86 120.64 128.33 1gm0 n GLU 3 Ca -0.15 -2.77 -0.20 0.00 -0.02 0.00 0.00 57.16 54.02 1gm0 n GLU 3 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1gm0 n GLU 3 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gm0 n VAL 4 N -0.46 -4.85 -2.26 2.62 0.31 -1.26 -4.93 118.33 107.50 1gm0 n VAL 4 Ca 0.52 -0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.79 1gm0 n VAL 4 Cb 0.60 -3.81 0.08 0.00 -0.91 0.00 0.00 33.84 29.80 1gm0 n VAL 4 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1gm0 n MET 5 N -2.52 0.81 -0.40 5.55 3.85 -1.26 -4.94 117.12 118.21 1gm0 n MET 5 Ca -0.25 -2.63 -0.20 0.00 -1.00 0.00 0.00 57.70 53.62 1gm0 n MET 5 Cb 0.65 -0.73 0.18 0.00 -1.05 0.00 0.00 33.22 32.27 1gm0 n MET 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1gm0 n LYS 6 N -0.13 -3.28 -0.59 3.17 4.76 -1.26 -5.04 118.16 115.79 1gm0 n LYS 6 Ca 0.12 -1.07 -0.30 0.00 -2.87 0.00 0.00 58.31 54.19 1gm0 n LYS 6 Cb 0.98 -1.19 0.21 0.00 -1.84 0.00 0.00 35.03 33.18 1gm0 n LYS 6 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1gm0 n ASN 7 N -4.62 -1.00 -4.49 4.39 5.15 -1.26 -4.95 115.26 108.49 1gm0 n ASN 7 Ca 0.10 0.10 -0.55 0.00 -0.60 0.00 0.00 54.58 53.63 1gm0 n ASN 7 Cb 0.40 -1.32 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 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 -4.20 0.02 -0.07 1.20 -0.00 -1.26 -4.94 117.00 107.75 1gm0 n LEU 8 Ca 0.07 1.15 -0.08 0.00 -0.00 0.00 0.00 56.01 57.14 1gm0 n LEU 8 Cb 0.54 -0.98 -0.09 0.00 -0.00 0.00 0.00 43.42 42.89 1gm0 n LEU 8 CO 0.53 -2.01 -0.96 -1.20 -0.00 0.00 0.00 177.39 173.75 1gm0 n SER 9 N 1.75 2.35 -4.64 1.96 7.64 -1.26 -5.03 113.62 116.39 1gm0 n SER 9 Ca 0.19 -0.04 -0.46 0.00 1.01 0.00 0.00 58.87 59.57 1gm0 n SER 9 Cb 0.14 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 1gm0 n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1gm0 n LEU 10 N -2.70 2.51 -2.27 -3.43 4.77 -1.26 -4.80 117.00 109.82 1gm0 n LEU 10 Ca -0.24 1.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1gm0 n LEU 10 Cb 0.85 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.47 1gm0 n LEU 10 CO 0.21 -0.83 1.63 -3.20 -1.33 0.00 0.00 177.39 173.87 1gm0 n ASN 11 N 1.92 4.65 -0.18 -1.43 5.15 -1.24 -4.65 115.26 119.48 1gm0 n ASN 11 Ca 0.12 -2.32 0.13 0.00 -0.60 0.00 0.00 54.58 51.92 1gm0 n ASN 11 Cb 0.30 -1.18 0.46 0.00 -0.53 0.00 0.00 39.78 38.83 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 3.88 0.58 -0.88 1.20 0.04 -1.91 -1.57 116.94 118.28 1gm0 h PHE 12 Ca 0.24 0.02 0.21 0.00 2.80 0.00 0.00 57.97 61.23 1gm0 h PHE 12 Cb 1.08 -0.19 -0.12 0.00 2.20 0.00 0.00 35.95 38.92 1gm0 h PHE 12 CO 1.68 0.23 0.37 0.78 -0.60 0.00 0.00 178.31 180.78 1gm0 h GLY 13 N 0.51 1.47 0.51 -1.45 0.00 -1.98 0.18 103.07 102.31 1gm0 h GLY 13 Ca 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1gm0 h GLY 13 CO -0.13 -0.24 -0.12 0.50 0.00 0.00 0.00 176.54 176.54 1gm0 h LYS 14 N 0.40 -0.33 -0.41 4.80 1.79 -1.65 0.63 116.57 121.81 1gm0 h LYS 14 Ca 0.54 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 59.02 1gm0 h LYS 14 Cb 1.00 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 1gm0 h LYS 14 CO -0.52 0.03 0.21 0.00 -1.08 0.00 0.00 179.45 178.09 1gm0 h ALA 15 N -0.32 1.60 -0.63 3.86 0.00 -1.61 -1.85 119.26 120.32 1gm0 h ALA 15 Ca -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1gm0 h ALA 15 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1gm0 h ALA 15 CO 0.06 0.33 0.12 -0.07 0.00 0.00 0.00 179.25 179.68 1gm0 h LEU 16 N 0.56 0.96 -1.76 0.00 3.38 -0.88 0.14 115.31 117.70 1gm0 h LEU 16 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1gm0 h LEU 16 Cb 0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1gm0 h LEU 16 CO -0.02 0.95 -0.16 -0.78 0.09 0.00 0.00 178.44 178.52 1gm0 h ASP 17 N 0.95 0.00 0.04 -0.43 3.58 -0.05 0.16 116.42 120.68 1gm0 h ASP 17 Ca 0.20 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.51 1gm0 h ASP 17 Cb 0.39 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 1gm0 h ASP 17 CO 0.01 0.16 -0.67 -0.33 -2.88 0.00 0.00 179.24 175.53 1gm0 h GLU 18 N 0.00 0.09 -0.94 0.28 4.39 -1.10 -3.35 114.58 113.95 1gm0 h GLU 18 Ca -0.00 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1gm0 h GLU 18 Cb 0.34 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1gm0 h GLU 18 CO 0.02 1.08 0.61 0.00 -1.16 0.00 0.00 179.01 179.56 1gm0 h LYS 20 N 1.28 0.00 0.10 0.00 5.09 -0.88 -1.56 116.57 120.60 1gm0 h LYS 20 Ca 0.34 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.72 1gm0 h LYS 20 Cb -0.12 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.18 1gm0 h LYS 20 CO -0.07 0.01 -2.02 1.63 -2.09 0.00 0.00 179.45 176.91 1gm0 n LYS 21 N -3.65 0.74 0.24 0.07 5.02 -0.02 -1.13 118.16 119.42 1gm0 n LYS 21 Ca -0.03 0.25 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 1gm0 n LYS 21 Cb 0.10 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.31 1gm0 n LYS 21 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1gm0 h GLU 22 N 0.06 -0.90 -0.43 1.97 5.08 -0.34 -2.19 114.58 117.84 1gm0 h GLU 22 Ca -0.43 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1gm0 h GLU 22 Cb 2.02 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1gm0 h GLU 22 CO 0.07 -0.60 0.00 -1.33 -1.00 0.00 0.00 179.01 176.15 1gm0 n MET 23 N -5.54 2.05 -2.72 2.33 0.00 -0.63 -4.93 117.12 107.69 1gm0 n MET 23 Ca -0.11 -1.63 -0.09 0.00 0.00 0.00 0.00 57.70 55.86 1gm0 n MET 23 Cb 0.45 -1.37 -0.01 0.00 0.00 0.00 0.00 33.22 32.29 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 0.83 -0.30 -0.39 2.03 5.66 -0.82 -4.92 114.28 116.36 1gm0 n THR 24 Ca 0.16 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.87 1gm0 n THR 24 Cb 0.39 -0.80 0.28 0.00 -1.55 0.00 0.00 70.33 68.65 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 -2.84 -1.51 -4.87 1.09 4.77 -0.28 -4.91 117.00 108.44 1gm0 n LEU 25 Ca -0.04 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.23 1gm0 n LEU 25 Cb 0.54 -1.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 1gm0 n LEU 25 CO 0.18 -3.75 0.59 0.42 -1.33 0.00 0.00 177.39 173.50 1gm0 s THR 26 N -2.31 4.73 -0.17 -5.08 -4.23 -1.26 -4.84 115.64 102.47 1gm0 s THR 26 Ca 0.69 0.76 0.29 0.00 -1.18 0.00 0.00 61.69 62.25 1gm0 s THR 26 Cb -0.22 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.16 1gm0 s THR 26 CO 0.64 -0.83 1.85 -0.78 -0.54 0.00 0.00 174.62 174.95 1gm0 h ASP 27 N 0.45 0.00 -0.93 3.99 3.58 -1.96 -3.00 116.42 118.54 1gm0 h ASP 27 Ca -0.46 0.00 0.25 0.00 0.42 0.00 0.00 57.03 57.24 1gm0 h ASP 27 Cb 1.19 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.08 1gm0 h ASP 27 CO 0.62 0.00 0.10 0.00 -2.88 0.00 0.00 179.24 177.08 1gm0 h ALA 28 N 2.09 1.18 -0.18 -0.78 0.00 -2.01 -0.94 119.26 118.62 1gm0 h ALA 28 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1gm0 h ALA 28 Cb 0.58 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1gm0 h ALA 28 CO 0.00 -0.54 0.31 -0.84 0.00 0.00 0.00 179.25 178.17 1gm0 h ILE 29 N 0.07 0.25 0.00 0.00 -0.00 -1.91 0.27 117.51 116.19 1gm0 h ILE 29 Ca 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 65.40 1gm0 h ILE 29 Cb 1.17 0.73 -0.00 0.00 -0.00 0.00 0.00 36.82 38.72 1gm0 h ILE 29 CO -0.81 0.00 -0.16 -1.13 -0.00 0.00 0.00 178.15 176.04 1gm0 h ASN 30 N 0.00 0.00 0.00 2.16 -0.73 -1.41 -3.00 115.58 112.60 1gm0 h ASN 30 Ca 0.09 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.97 1gm0 h ASN 30 Cb 0.70 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.25 1gm0 h ASN 30 CO -0.00 0.16 -1.96 -0.62 -0.37 0.00 0.00 177.43 174.64 1gm0 n GLU 31 N -4.06 0.37 0.27 6.67 -0.58 -0.14 -4.73 120.64 118.43 1gm0 n GLU 31 Ca -0.02 0.16 0.15 0.00 -0.42 0.00 0.00 57.16 57.03 1gm0 n GLU 31 Cb 0.24 -1.12 0.69 0.00 -0.57 0.00 0.00 31.44 30.67 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 -0.59 0.00 0.12 1.62 3.58 -0.61 0.11 116.42 120.65 1gm0 h ASP 32 Ca -0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 1gm0 h ASP 32 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1gm0 h ASP 32 CO -0.26 0.08 -0.06 0.15 -2.88 0.00 0.00 179.24 176.28 1gm0 h PHE 33 N 0.00 -0.15 -0.09 0.28 3.57 -1.76 -0.19 116.94 118.60 1gm0 h PHE 33 Ca -0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1gm0 h PHE 33 Cb 0.50 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1gm0 h PHE 33 CO 0.00 -0.06 -0.53 1.88 -2.23 0.00 0.00 178.31 177.37 1gm0 h TYR 34 N -0.20 0.32 -0.15 0.41 -1.99 -1.16 -2.25 116.97 111.94 1gm0 h TYR 34 Ca -0.02 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.55 1gm0 h TYR 34 Cb 0.16 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1gm0 h TYR 34 CO -0.06 0.74 -0.12 -0.91 -0.00 0.00 0.00 178.16 177.81 1gm0 h ASN 35 N 0.20 0.23 -0.94 3.88 2.35 -0.87 -3.30 115.58 117.13 1gm0 h ASN 35 Ca 0.00 -0.04 0.16 0.00 -0.55 0.00 0.00 56.30 55.87 1gm0 h ASN 35 Cb 1.01 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.22 1gm0 h ASN 35 CO 0.08 0.38 0.54 0.15 -1.65 0.00 0.00 177.43 176.94 1gm0 h PHE 36 N 0.23 0.96 0.00 1.19 3.57 -0.39 -0.05 116.94 122.45 1gm0 h PHE 36 Ca 0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1gm0 h PHE 36 Cb 0.36 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1gm0 h PHE 36 CO 0.01 0.25 -0.48 -1.49 -2.23 0.00 0.00 178.31 174.37 1gm0 h TRP 37 N 0.75 0.00 -4.26 0.41 6.55 -1.70 -3.46 115.95 114.23 1gm0 h TRP 37 Ca 0.52 0.00 -0.52 0.00 0.95 0.00 0.00 58.89 59.84 1gm0 h TRP 37 Cb 0.73 0.00 0.15 0.00 -0.86 0.00 0.00 29.16 29.18 1gm0 h TRP 37 CO -0.04 0.48 0.31 0.15 -1.05 0.00 0.00 178.44 178.29 1gm0 s LYS 38 N -3.80 1.97 0.42 0.49 1.02 -0.04 -5.02 119.74 114.79 1gm0 s LYS 38 Ca -0.01 1.40 -0.03 0.00 0.02 0.00 0.00 55.97 57.34 1gm0 s LYS 38 Cb 0.13 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1gm0 s LYS 38 CO 0.73 -1.89 0.68 -1.21 -0.92 0.00 0.00 175.35 172.74 1gm0 s GLU 39 N -4.55 3.54 0.00 1.68 8.01 -1.26 -3.87 118.70 122.25 1gm0 s GLU 39 Ca 0.66 0.01 0.00 0.00 0.01 0.00 0.00 54.97 55.65 1gm0 s GLU 39 Cb -0.21 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.11 1gm0 s GLU 39 CO 0.53 -0.04 0.00 0.41 0.01 0.00 0.00 175.26 176.17 1gm0 n GLY 40 N -1.94 0.13 3.45 -1.39 0.00 -1.26 -4.98 105.19 99.20 1gm0 n GLY 40 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1gm0 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gm0 s TYR 41 N -1.31 3.11 -1.11 1.61 6.14 -1.25 -5.03 117.35 119.51 1gm0 s TYR 41 Ca 0.00 -0.45 -0.04 0.00 0.64 0.00 0.00 57.07 57.22 1gm0 s TYR 41 Cb 0.00 -2.27 0.28 0.00 0.42 0.00 0.00 41.96 40.40 1gm0 s TYR 41 CO 0.00 -0.38 1.64 0.39 0.64 0.00 0.00 175.55 177.85 1gm0 n GLU 42 N 4.94 4.56 -2.51 4.97 4.71 -1.26 -4.91 120.64 131.14 1gm0 n GLU 42 Ca -0.16 -4.39 -0.43 0.00 -0.01 0.00 0.00 57.16 52.17 1gm0 n GLU 42 Cb 0.51 -2.56 0.00 0.00 -1.01 0.00 0.00 31.44 28.37 1gm0 n GLU 42 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1gm0 n ILE 43 N 1.35 3.95 -0.66 -3.67 -0.00 -1.26 -4.64 119.36 114.43 1gm0 n ILE 43 Ca 0.33 -4.08 0.08 0.00 -0.00 0.00 0.00 62.75 59.09 1gm0 n ILE 43 Cb 0.32 -2.41 0.31 0.00 -0.00 0.00 0.00 39.64 37.86 1gm0 n ILE 43 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1gm0 n LYS 44 N 7.24 3.57 -2.13 0.38 2.85 -1.26 -4.99 118.16 123.83 1gm0 n LYS 44 Ca 0.47 -2.79 -0.34 0.00 -1.05 0.00 0.00 58.31 54.60 1gm0 n LYS 44 Cb 0.44 -1.83 0.01 0.00 -0.65 0.00 0.00 35.03 33.00 1gm0 n LYS 44 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1gm0 s ASN 45 N -1.12 5.61 0.03 -5.58 3.84 -1.26 -4.99 114.94 111.46 1gm0 s ASN 45 Ca 0.46 2.08 -0.18 0.00 0.21 0.00 0.00 52.86 55.42 1gm0 s ASN 45 Cb 0.31 -2.57 -0.23 0.00 -0.55 0.00 0.00 41.25 38.22 1gm0 s ASN 45 CO 0.19 -1.29 1.14 0.03 -2.79 0.00 0.00 177.10 174.38 1gm0 h ARG 46 N 0.85 0.49 0.00 0.43 3.08 -1.94 -3.32 114.38 113.98 1gm0 h ARG 46 Ca -0.49 -0.51 -0.08 0.00 0.07 0.00 0.00 59.98 58.97 1gm0 h ARG 46 Cb 1.25 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1gm0 h ARG 46 CO 0.56 1.15 -0.37 0.93 -1.07 0.00 0.00 179.97 181.17 1gm0 h GLU 47 N 0.04 0.00 -0.26 0.04 4.39 -1.94 -0.90 114.58 115.96 1gm0 h GLU 47 Ca -0.08 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1gm0 h GLU 47 Cb 1.38 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.98 1gm0 h GLU 47 CO 0.14 0.37 -0.04 1.15 -1.16 0.00 0.00 179.01 179.47 1gm0 h THR 48 N 0.00 0.77 -0.49 1.13 2.02 -1.96 -0.03 112.91 114.34 1gm0 h THR 48 Ca -0.00 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.24 1gm0 h THR 48 Cb 0.84 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1gm0 h THR 48 CO 0.05 0.00 0.13 1.23 0.37 0.00 0.00 175.52 177.30 1gm0 h GLY 49 N 0.03 0.62 0.99 2.16 0.00 -1.31 -2.16 103.07 103.39 1gm0 h GLY 49 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1gm0 h GLY 49 CO -0.24 -0.04 0.56 0.00 0.00 0.00 0.00 176.54 176.82 1gm0 h ALA 51 N 1.31 0.75 -0.18 0.00 0.00 -0.55 0.10 119.26 120.69 1gm0 h ALA 51 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1gm0 h ALA 51 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1gm0 h ALA 51 CO -0.07 0.41 0.09 0.82 0.00 0.00 0.00 179.25 180.50 1gm0 h ILE 52 N 0.80 1.13 -0.40 0.00 2.04 -0.99 0.92 117.51 121.01 1gm0 h ILE 52 Ca 0.18 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1gm0 h ILE 52 Cb 0.29 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1gm0 h ILE 52 CO -0.01 0.12 0.12 -0.03 0.00 0.00 0.00 178.15 178.35 1gm0 h MET 53 N 0.17 0.59 -0.12 2.37 4.05 -0.58 -0.62 114.93 120.78 1gm0 h MET 53 Ca 0.06 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 1gm0 h MET 53 Cb 0.11 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1gm0 h MET 53 CO -0.01 0.52 -0.25 0.00 0.23 0.00 0.00 176.91 177.41 1gm0 h LEU 55 N -0.03 0.00 0.00 0.00 3.38 0.09 -2.46 115.31 116.29 1gm0 h LEU 55 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gm0 h LEU 55 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1gm0 h LEU 55 CO 0.06 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.05 1gm0 n SER 56 N -4.50 0.00 -0.21 -0.43 3.41 -0.33 -1.19 113.62 110.38 1gm0 n SER 56 Ca -0.01 -0.29 0.06 0.00 -0.26 0.00 0.00 58.87 58.37 1gm0 n SER 56 Cb 0.17 -0.09 0.09 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.09 1.23 -0.38 6.66 5.66 -0.93 -4.65 114.28 120.79 1gm0 n THR 57 Ca 0.10 -1.47 0.01 0.00 -3.05 0.00 0.00 64.05 59.63 1gm0 n THR 57 Cb 0.07 0.04 0.01 0.00 -1.55 0.00 0.00 70.33 68.89 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 -0.93 2.02 0.27 1.09 4.76 -0.33 -4.84 118.16 120.19 1gm0 n LYS 58 Ca 0.10 -1.27 0.13 0.00 -2.87 0.00 0.00 58.31 54.40 1gm0 n LYS 58 Cb 0.65 -0.88 0.78 0.00 -1.84 0.00 0.00 35.03 33.74 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 0.00 -2.06 -0.35 3.38 -1.87 -0.53 115.31 113.89 1gm0 h LEU 59 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1gm0 h LEU 59 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1gm0 h LEU 59 CO 0.00 0.08 0.23 -0.55 0.09 0.00 0.00 178.44 178.29 1gm0 h ASN 60 N 0.00 0.00 0.94 -0.43 -1.07 -1.85 0.72 115.58 113.89 1gm0 h ASN 60 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.30 1gm0 h ASN 60 Cb 0.20 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.44 1gm0 h ASN 60 CO 0.01 0.00 -0.32 0.24 0.07 0.00 0.00 177.43 177.43 1gm0 h MET 61 N 0.00 0.00 0.00 4.14 2.86 -1.49 -3.37 114.93 117.07 1gm0 h MET 61 Ca 0.14 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.44 1gm0 h MET 61 Cb 0.60 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.19 1gm0 h MET 61 CO -0.00 0.32 -2.29 1.28 1.06 0.00 0.00 176.91 177.28 1gm0 n LEU 62 N -3.45 1.95 -3.96 1.22 4.77 0.09 -4.77 117.00 112.86 1gm0 n LEU 62 Ca 0.00 -0.08 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 1gm0 n LEU 62 Cb 0.49 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1gm0 n LEU 62 CO 0.36 0.74 -0.36 -0.62 -1.33 0.00 0.00 177.39 176.17 1gm0 s ASP 63 N -5.88 4.46 0.37 -1.43 2.15 -0.30 -3.61 116.67 112.42 1gm0 s ASP 63 Ca -0.23 -1.83 0.16 0.00 0.43 0.00 0.00 52.55 51.08 1gm0 s ASP 63 Cb 0.07 -1.41 0.70 0.00 -0.30 0.00 0.00 42.92 41.98 1gm0 s ASP 63 CO 0.60 -0.34 1.77 1.55 -0.17 0.00 0.00 175.17 178.58 1gm0 h PRO 64 N 7.77 0.00 0.00 4.34 0.13 -1.86 -2.86 132.00 139.52 1gm0 h PRO 64 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1gm0 h PRO 64 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1gm0 h PRO 64 CO 0.49 0.40 0.00 0.39 -0.23 0.00 0.00 178.00 179.05 1gm0 n GLU 65 N -3.76 0.09 -3.90 0.86 1.02 -1.26 -4.94 120.64 108.75 1gm0 n GLU 65 Ca -0.01 0.07 -0.28 0.00 -0.02 0.00 0.00 57.16 56.91 1gm0 n GLU 65 Cb 0.47 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.01 -0.42 0.13 0.62 0.00 -1.08 -4.87 105.19 100.58 1gm0 n GLY 66 Ca 0.07 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.97 0.68 -2.29 1.61 -0.26 -1.92 -3.42 115.58 108.01 1gm0 h ASN 67 Ca -0.59 -0.75 -0.52 0.00 -0.56 0.00 0.00 56.30 53.88 1gm0 h ASN 67 Cb 1.37 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 38.36 1gm0 h ASN 67 CO 0.65 1.59 1.23 -0.22 -1.06 0.00 0.00 177.43 179.62 1gm0 s LEU 68 N -7.40 3.30 0.27 1.61 2.96 -1.26 -4.42 118.68 113.73 1gm0 s LEU 68 Ca -0.08 0.20 0.10 0.00 -0.22 0.00 0.00 54.13 54.13 1gm0 s LEU 68 Cb 0.05 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1gm0 s LEU 68 CO 0.92 -2.07 -0.05 -1.00 -1.32 0.00 0.00 176.35 172.83 1gm0 s HIS 69 N 7.51 2.58 0.19 5.38 3.76 -1.26 -4.72 115.29 128.72 1gm0 s HIS 69 Ca 0.57 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.91 1gm0 s HIS 69 Cb -0.12 -1.16 -0.09 0.00 1.11 0.00 0.00 32.58 32.33 1gm0 s HIS 69 CO 0.21 0.64 1.37 -1.58 -0.85 0.00 0.00 174.74 174.53 1gm0 s HIS 70 N -2.38 3.20 -2.18 1.40 2.46 -1.26 -2.62 115.29 113.90 1gm0 s HIS 70 Ca 0.31 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.92 1gm0 s HIS 70 Cb -0.06 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 1gm0 s HIS 70 CO 0.19 -2.25 0.00 0.41 -2.47 0.00 0.00 174.74 170.62 1gm0 n GLY 71 N 2.70 1.85 2.63 1.59 0.00 0.77 -4.86 105.19 109.87 1gm0 n GLY 71 Ca 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.39 -0.49 -0.36 1.61 5.15 -1.08 -4.99 115.26 113.72 1gm0 n ASN 72 Ca -0.21 -2.78 0.14 0.00 -0.60 0.00 0.00 54.58 51.13 1gm0 n ASN 72 Cb 0.68 0.41 0.61 0.00 -0.53 0.00 0.00 39.78 40.95 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 -0.18 2.60 0.05 5.20 0.00 -1.25 -4.04 120.51 122.89 1gm0 n ALA 73 Ca 0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 1gm0 n ALA 73 Cb 0.80 -1.24 0.14 0.00 0.00 0.00 0.00 19.45 19.14 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 1.68 0.36 -0.18 0.00 2.86 -1.93 0.21 114.93 117.93 1gm0 h MET 74 Ca 0.00 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1gm0 h MET 74 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1gm0 h MET 74 CO 0.00 0.78 -0.07 0.93 1.06 0.00 0.00 176.91 179.61 1gm0 h GLU 75 N 0.29 0.37 -0.81 1.72 5.08 -1.88 -1.73 114.58 117.62 1gm0 h GLU 75 Ca 0.01 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1gm0 h GLU 75 Cb 0.97 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1gm0 h GLU 75 CO 0.08 0.65 0.51 0.35 -1.00 0.00 0.00 179.01 179.60 1gm0 h PHE 76 N 0.06 0.94 -0.58 4.33 3.57 -1.57 -2.39 116.94 121.30 1gm0 h PHE 76 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1gm0 h PHE 76 Cb 0.53 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1gm0 h PHE 76 CO 0.06 0.51 0.38 0.00 -2.23 0.00 0.00 178.31 177.03 1gm0 h ALA 77 N 1.36 0.74 -0.79 2.41 0.00 -0.53 -1.95 119.26 120.50 1gm0 h ALA 77 Ca 0.34 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.36 1gm0 h ALA 77 Cb 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1gm0 h ALA 77 CO -0.14 0.19 0.53 0.87 0.00 0.00 0.00 179.25 180.70 1gm0 h LYS 78 N 0.79 0.38 0.00 0.00 1.57 -0.80 -1.05 116.57 117.46 1gm0 h LYS 78 Ca 0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1gm0 h LYS 78 Cb -0.08 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1gm0 h LYS 78 CO -0.04 0.25 0.00 0.87 -0.57 0.00 0.00 179.45 179.95 1gm0 h LYS 79 N 0.39 0.00 -0.01 3.15 1.57 -1.15 -1.40 116.57 119.12 1gm0 h LYS 79 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1gm0 h LYS 79 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1gm0 h LYS 79 CO -0.13 0.00 -0.26 0.72 -0.57 0.00 0.00 179.45 179.22 1gm0 n HIS 80 N -2.94 0.00 0.00 -1.35 8.25 -0.47 -4.99 115.22 113.72 1gm0 n HIS 80 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1gm0 n HIS 80 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 1.06 1.14 3.61 -1.41 0.00 -0.53 -4.77 105.19 104.29 1gm0 n GLY 81 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.41 1.33 4.61 0.00 -0.78 -4.92 121.76 123.41 1gm0 s ALA 82 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1gm0 s ALA 82 Cb 0.00 -3.57 0.33 0.00 0.00 0.00 0.00 23.12 19.88 1gm0 s ALA 82 CO 0.00 -1.61 0.98 -0.40 0.00 0.00 0.00 175.76 174.73 1gm0 n ASP 83 N 6.82 -2.87 -0.23 0.00 5.68 -1.26 -2.19 116.55 122.49 1gm0 n ASP 83 Ca 0.08 -1.03 -0.02 0.00 -0.50 0.00 0.00 54.79 53.31 1gm0 n ASP 83 Cb 0.48 -0.97 0.09 0.00 -1.14 0.00 0.00 41.12 39.58 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 0.69 -0.26 0.11 4.81 -1.97 -1.28 114.58 116.69 1gm0 h GLU 84 Ca -0.39 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1gm0 h GLU 84 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1gm0 h GLU 84 CO 0.25 0.45 -0.05 1.15 -0.73 0.00 0.00 179.01 180.09 1gm0 h THR 85 N 0.71 1.28 -0.78 0.32 2.02 -1.97 0.16 112.91 114.64 1gm0 h THR 85 Ca 0.29 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1gm0 h THR 85 Cb 0.14 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1gm0 h THR 85 CO -0.16 0.32 0.42 0.24 0.37 0.00 0.00 175.52 176.71 1gm0 h MET 86 N 0.24 1.08 0.32 6.66 2.86 -1.84 0.15 114.93 124.40 1gm0 h MET 86 Ca 0.07 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1gm0 h MET 86 Cb 0.50 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1gm0 h MET 86 CO 0.02 0.79 -0.15 0.00 1.06 0.00 0.00 176.91 178.63 1gm0 h ALA 87 N 1.38 -0.42 -0.75 6.32 0.00 -1.10 -3.27 119.26 121.41 1gm0 h ALA 87 Ca 0.27 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1gm0 h ALA 87 Cb 0.03 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1gm0 h ALA 87 CO -0.04 -0.55 0.50 0.37 0.00 0.00 0.00 179.25 179.52 1gm0 h GLN 88 N -0.80 0.53 -0.37 0.00 5.75 -0.16 0.19 115.11 120.25 1gm0 h GLN 88 Ca -0.04 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1gm0 h GLN 88 Cb 0.52 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.88 1gm0 h GLN 88 CO 0.07 0.35 -0.07 1.96 -2.65 0.00 0.00 178.83 178.50 1gm0 h GLN 89 N 0.55 0.03 -0.04 1.69 1.08 -0.81 -0.47 115.11 117.12 1gm0 h GLN 89 Ca 0.36 -0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.30 1gm0 h GLN 89 Cb 0.65 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1gm0 h GLN 89 CO -0.13 0.02 -0.96 -0.07 -0.95 0.00 0.00 178.83 176.73 1gm0 h LEU 90 N 0.03 0.92 -0.44 1.46 3.38 -0.73 -2.78 115.31 117.15 1gm0 h LEU 90 Ca 0.18 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.48 1gm0 h LEU 90 Cb 0.27 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1gm0 h LEU 90 CO -0.36 1.50 0.19 0.40 0.09 0.00 0.00 178.44 180.27 1gm0 h ILE 91 N 0.43 0.93 -0.42 1.22 2.04 -1.07 0.89 117.51 121.53 1gm0 h ILE 91 Ca -0.11 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1gm0 h ILE 91 Cb 1.61 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1gm0 h ILE 91 CO 0.19 0.07 0.25 -0.78 0.00 0.00 0.00 178.15 177.89 1gm0 h ASP 92 N 0.39 0.50 -0.95 1.72 1.82 -1.10 -2.59 116.42 116.22 1gm0 h ASP 92 Ca 0.19 -0.05 0.02 0.00 -0.39 0.00 0.00 57.03 56.80 1gm0 h ASP 92 Cb 0.14 -0.13 -0.05 0.00 0.68 0.00 0.00 39.33 39.97 1gm0 h ASP 92 CO -0.16 0.41 0.62 0.40 -1.61 0.00 0.00 179.24 178.90 1gm0 h ILE 93 N 0.56 1.20 0.02 2.25 2.04 -1.12 0.54 117.51 123.00 1gm0 h ILE 93 Ca 0.15 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1gm0 h ILE 93 Cb -0.00 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 35.88 1gm0 h ILE 93 CO -0.03 0.23 -0.38 0.58 0.00 0.00 0.00 178.15 178.55 1gm0 h VAL 94 N 1.24 0.22 -0.28 1.67 2.07 -0.45 0.24 116.25 120.95 1gm0 h VAL 94 Ca 0.37 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.75 1gm0 h VAL 94 Cb -0.06 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1gm0 h VAL 94 CO -0.10 0.00 -0.37 0.45 0.02 0.00 0.00 177.57 177.57 1gm0 h HIS 95 N -0.55 0.75 0.00 1.57 3.86 -1.31 -1.09 115.15 118.38 1gm0 h HIS 95 Ca 0.05 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1gm0 h HIS 95 Cb 0.62 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1gm0 h HIS 95 CO -0.38 0.92 0.00 0.78 0.86 0.00 0.00 177.93 180.11 1gm0 h GLY 96 N 1.00 0.00 0.26 2.45 0.00 0.48 -0.44 103.07 106.83 1gm0 h GLY 96 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.01 1gm0 h GLY 96 CO 0.08 0.00 -2.25 0.00 0.00 0.00 0.00 176.54 174.37 1gm0 h GLU 98 N 0.02 0.70 -0.79 0.00 5.08 -0.63 -0.74 114.58 118.21 1gm0 h GLU 98 Ca -0.50 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1gm0 h GLU 98 Cb 2.03 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 31.08 1gm0 h GLU 98 CO 0.00 0.46 0.52 0.87 -1.00 0.00 0.00 179.01 179.86 1gm0 h LYS 99 N 0.72 0.96 0.00 2.33 1.57 -1.20 -0.23 116.57 120.73 1gm0 h LYS 99 Ca 0.44 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1gm0 h LYS 99 Cb 0.54 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1gm0 h LYS 99 CO -0.31 0.64 -0.26 -1.13 -0.57 0.00 0.00 179.45 177.82 1gm0 n SER 100 N -4.44 0.43 -4.49 0.86 3.41 -0.85 -4.81 113.62 103.73 1gm0 n SER 100 Ca 0.10 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 1gm0 n SER 100 Cb 0.10 -0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 1gm0 n SER 100 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gm0 s THR 101 N -3.05 5.19 0.55 6.66 2.01 -0.10 -5.06 115.64 121.84 1gm0 s THR 101 Ca 0.11 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 1gm0 s THR 101 Cb 0.16 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1gm0 s THR 101 CO 0.63 -0.28 1.17 -2.16 -0.69 0.00 0.00 174.62 173.29 1gm0 s PRO 102 N 1.88 3.27 -0.87 4.92 0.04 -1.26 -4.84 135.00 138.14 1gm0 s PRO 102 Ca 0.08 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1gm0 s PRO 102 Cb -0.18 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1gm0 s PRO 102 CO 0.11 -0.94 2.00 0.00 0.04 0.00 0.00 177.00 178.21 1gm0 s ALA 103 N -1.65 1.57 0.19 8.56 0.00 -1.26 -4.86 121.76 124.31 1gm0 s ALA 103 Ca 0.73 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1gm0 s ALA 103 Cb -0.28 -4.55 -0.08 0.00 0.00 0.00 0.00 23.12 18.22 1gm0 s ALA 103 CO 0.31 -4.90 0.99 1.21 0.00 0.00 0.00 175.76 173.37 1gm0 s ASN 104 N 8.39 7.49 0.39 0.00 3.84 -1.26 -4.94 114.94 128.86 1gm0 s ASN 104 Ca 0.73 1.95 0.25 0.00 0.21 0.00 0.00 52.86 56.00 1gm0 s ASN 104 Cb -0.08 -2.60 1.36 0.00 -0.55 0.00 0.00 41.25 39.38 1gm0 s ASN 104 CO 0.01 -0.01 1.75 -0.78 -2.79 0.00 0.00 177.10 175.28 1gm0 h ASP 105 N 4.77 0.00 -3.67 -4.21 3.58 -2.01 -3.33 116.42 111.54 1gm0 h ASP 105 Ca -0.44 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.32 1gm0 h ASP 105 Cb 1.21 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.97 1gm0 h ASP 105 CO 0.70 0.00 -0.63 -0.62 -2.88 0.00 0.00 179.24 175.81 1gm0 s ASP 106 N -4.17 5.17 0.50 2.28 -1.08 -1.26 -4.98 116.67 113.14 1gm0 s ASP 106 Ca -0.03 -1.07 0.16 0.00 -0.52 0.00 0.00 52.55 51.10 1gm0 s ASP 106 Cb 0.07 -1.84 1.22 0.00 -1.46 0.00 0.00 42.92 40.92 1gm0 s ASP 106 CO 0.23 -0.28 2.10 0.50 0.52 0.00 0.00 175.17 178.24 1gm0 h LYS 107 N 8.18 0.09 -0.22 4.34 1.63 -2.00 -0.27 116.57 128.33 1gm0 h LYS 107 Ca -0.25 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 1gm0 h LYS 107 Cb 1.09 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1gm0 h LYS 107 CO 0.59 0.06 0.01 0.00 -3.45 0.00 0.00 179.45 176.66 1gm0 h ILE 109 N 0.15 1.27 0.17 0.00 2.04 -1.53 0.12 117.51 119.73 1gm0 h ILE 109 Ca 0.06 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1gm0 h ILE 109 Cb 0.39 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1gm0 h ILE 109 CO 0.01 0.43 -0.46 -0.25 0.00 0.00 0.00 178.15 177.88 1gm0 h TRP 110 N 0.97 -1.32 -0.92 1.37 7.01 -1.06 -1.10 115.95 120.90 1gm0 h TRP 110 Ca 0.17 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.37 1gm0 h TRP 110 Cb 0.59 0.55 -0.10 0.00 -2.10 0.00 0.00 29.16 28.10 1gm0 h TRP 110 CO 0.04 -0.54 0.50 1.15 -2.79 0.00 0.00 178.44 176.80 1gm0 h THR 111 N -0.71 0.68 -0.37 2.65 2.02 -0.74 -0.41 112.91 116.03 1gm0 h THR 111 Ca -0.02 -0.22 -0.15 0.00 0.77 0.00 0.00 66.41 66.79 1gm0 h THR 111 Cb 0.69 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1gm0 h THR 111 CO -0.21 0.12 -0.35 0.25 0.37 0.00 0.00 175.52 175.69 1gm0 h LEU 112 N 0.65 0.96 0.06 2.58 7.12 -0.83 -1.55 115.31 124.29 1gm0 h LEU 112 Ca 0.52 -0.46 0.02 0.00 0.13 0.00 0.00 57.88 58.10 1gm0 h LEU 112 Cb 0.81 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.62 1gm0 h LEU 112 CO -0.40 1.22 -0.44 1.23 -0.13 0.00 0.00 178.44 179.92 1gm0 h GLY 113 N 0.71 -0.87 0.38 3.75 0.00 0.22 0.46 103.07 107.71 1gm0 h GLY 113 Ca 0.06 0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.99 1gm0 h GLY 113 CO 0.09 -0.26 -0.07 -2.08 0.00 0.00 0.00 176.54 174.22 1gm0 h VAL 114 N -0.63 0.69 -0.16 4.60 2.07 -1.14 -0.24 116.25 121.43 1gm0 h VAL 114 Ca 0.03 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1gm0 h VAL 114 Cb 0.68 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1gm0 h VAL 114 CO -0.29 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.01 1gm0 h ALA 115 N 1.31 1.21 -0.07 1.67 0.00 -1.02 0.57 119.26 122.93 1gm0 h ALA 115 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1gm0 h ALA 115 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gm0 h ALA 115 CO -0.32 0.52 -0.02 1.15 0.00 0.00 0.00 179.25 180.58 1gm0 h THR 116 N 0.27 1.30 -0.48 0.00 2.02 -0.33 -2.96 112.91 112.73 1gm0 h THR 116 Ca 0.04 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.34 1gm0 h THR 116 Cb 0.66 1.81 -0.07 0.00 -1.74 0.00 0.00 68.15 68.81 1gm0 h THR 116 CO 0.05 0.27 0.07 0.00 0.37 0.00 0.00 175.52 176.28 1gm0 h PHE 118 N 0.20 -1.31 -0.85 0.00 3.57 -0.83 0.64 116.94 118.35 1gm0 h PHE 118 Ca 0.24 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.96 1gm0 h PHE 118 Cb 0.33 0.53 -0.12 0.00 2.79 0.00 0.00 35.95 39.49 1gm0 h PHE 118 CO -0.24 -0.59 0.35 -0.22 -2.23 0.00 0.00 178.31 175.37 1gm0 h LYS 119 N -0.83 0.40 -0.12 1.11 3.11 -1.40 0.08 116.57 118.92 1gm0 h LYS 119 Ca -0.02 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1gm0 h LYS 119 Cb 0.77 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 1gm0 h LYS 119 CO -0.16 0.26 0.07 0.00 -2.81 0.00 0.00 179.45 176.82 1gm0 h ALA 120 N 1.66 0.16 -0.67 5.00 0.00 -0.60 -3.21 119.26 121.60 1gm0 h ALA 120 Ca 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 1gm0 h ALA 120 Cb 0.91 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1gm0 h ALA 120 CO -0.50 -0.32 0.30 0.93 0.00 0.00 0.00 179.25 179.66 1gm0 h GLU 121 N 0.12 0.97 -1.00 0.00 4.39 0.91 -0.27 114.58 119.69 1gm0 h GLU 121 Ca 0.04 -0.14 0.27 0.00 0.34 0.00 0.00 59.36 59.87 1gm0 h GLU 121 Cb 0.05 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 1gm0 h GLU 121 CO -0.01 0.76 0.69 0.82 -1.16 0.00 0.00 179.01 180.11 1gm0 h ILE 122 N 0.96 0.54 0.00 3.13 2.04 -1.10 0.78 117.51 123.86 1gm0 h ILE 122 Ca 0.23 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1gm0 h ILE 122 Cb 0.14 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1gm0 h ILE 122 CO -0.03 0.03 0.00 -0.74 0.00 0.00 0.00 178.15 177.42 1gm0 h HIS 123 N 0.19 0.00 -0.12 1.37 2.76 -1.06 -1.48 115.15 116.81 1gm0 h HIS 123 Ca 0.51 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.49 1gm0 h HIS 123 Cb 1.67 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.63 1gm0 h HIS 123 CO -0.00 0.00 -0.73 0.87 -1.30 0.00 0.00 177.93 176.77 1gm0 h LYS 124 N 0.00 0.56 -7.24 5.26 6.56 -0.90 -3.47 116.57 117.34 1gm0 h LYS 124 Ca 0.00 -0.45 -0.53 0.00 -1.06 0.00 0.00 60.65 58.62 1gm0 h LYS 124 Cb 0.51 0.09 0.19 0.00 -0.57 0.00 0.00 32.23 32.45 1gm0 h LYS 124 CO 0.00 1.07 0.28 -0.51 -2.06 0.00 0.00 179.45 178.23 1gm0 s LEU 125 N -8.16 2.99 0.00 2.94 1.43 -0.56 -4.91 118.68 112.41 1gm0 s LEU 125 Ca -0.07 2.29 0.18 0.00 -1.03 0.00 0.00 54.13 55.49 1gm0 s LEU 125 Cb 0.10 -4.58 0.67 0.00 0.03 0.00 0.00 46.19 42.41 1gm0 s LEU 125 CO 0.86 -2.92 1.49 -3.20 0.23 0.00 0.00 176.35 172.81 1gm0 n ASN 126 N -3.79 1.48 -3.57 2.29 5.15 -1.26 -4.90 115.26 110.66 1gm0 n ASN 126 Ca 0.13 -1.75 -0.15 0.00 -0.60 0.00 0.00 54.58 52.21 1gm0 n ASN 126 Cb 0.51 -0.12 -0.07 0.00 -0.53 0.00 0.00 39.78 39.58 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 -1.76 1.25 -0.31 1.20 1.48 -1.26 -5.14 118.94 114.39 1gm0 s TRP 127 Ca 0.29 -1.38 0.02 0.00 -1.06 0.00 0.00 56.10 53.96 1gm0 s TRP 127 Cb 0.15 -0.38 0.09 0.00 -1.16 0.00 0.00 33.47 32.18 1gm0 s TRP 127 CO 0.23 -0.92 0.06 0.00 -4.06 0.00 0.00 176.95 172.25 1gm0 s ALA 128 N -3.53 2.22 0.32 2.67 0.00 -1.26 -4.93 121.76 117.25 1gm0 s ALA 128 Ca 0.35 -2.03 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 1gm0 s ALA 128 Cb 0.02 -1.76 -0.11 0.00 0.00 0.00 0.00 23.12 21.27 1gm0 s ALA 128 CO 0.20 -1.62 1.59 -2.14 0.00 0.00 0.00 175.76 173.79 1gm0 s PRO 129 N 1.26 4.10 0.91 0.00 0.02 -1.26 -5.01 135.00 135.02 1gm0 s PRO 129 Ca 0.08 2.61 -0.11 0.00 0.02 0.00 0.00 61.00 63.60 1gm0 s PRO 129 Cb -0.18 -3.00 0.14 0.00 0.02 0.00 0.00 34.50 31.47 1gm0 s PRO 129 CO -0.15 -0.63 1.09 -1.12 -0.33 0.00 0.00 177.00 175.86 1gm0 s SER 130 N 0.37 3.26 0.10 2.53 0.01 -1.26 -4.69 113.70 114.02 1gm0 s SER 130 Ca 0.61 1.63 -0.20 0.00 1.31 0.00 0.00 55.95 59.30 1gm0 s SER 130 Cb -0.48 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.39 1gm0 s SER 130 CO 0.52 -2.79 1.66 0.24 0.41 0.00 0.00 173.24 173.28 1gm0 h MET 131 N -1.65 0.30 -1.03 12.44 2.86 -1.95 0.34 114.93 126.24 1gm0 h MET 131 Ca -0.49 -0.05 0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1gm0 h MET 131 Cb 1.28 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.78 1gm0 h MET 131 CO 0.52 0.33 0.64 -0.44 1.06 0.00 0.00 176.91 179.02 1gm0 h ASP 132 N 0.20 0.54 0.01 1.22 3.32 -1.94 0.70 116.42 120.47 1gm0 h ASP 132 Ca 0.07 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1gm0 h ASP 132 Cb 0.13 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1gm0 h ASP 132 CO -0.01 0.08 -0.01 0.58 -1.72 0.00 0.00 179.24 178.16 1gm0 h VAL 133 N 0.46 0.00 0.00 -1.35 2.07 -1.79 -1.01 116.25 114.64 1gm0 h VAL 133 Ca 0.63 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1gm0 h VAL 133 Cb 1.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1gm0 h VAL 133 CO -0.39 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.20 1gm0 n ALA 134 N -2.32 1.08 -0.12 1.67 0.00 0.06 -0.48 120.51 120.40 1gm0 n ALA 134 Ca -0.00 0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 1gm0 n ALA 134 Cb 0.01 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.19 1.54 -0.37 0.00 0.31 0.22 -4.25 118.33 113.58 1gm0 n VAL 135 Ca -0.01 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.07 1gm0 n VAL 135 Cb 0.04 -1.89 0.20 0.00 -0.91 0.00 0.00 33.84 31.29 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 -0.69 1.59 0.34 2.92 0.00 0.17 -2.86 103.07 104.55 1gm0 h GLY 136 Ca -0.57 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.30 1gm0 h GLY 136 CO -0.31 0.26 -0.05 0.83 0.00 0.00 0.00 176.54 177.26 1gm0 h GLU 137 N 1.10 -0.14 -0.01 4.80 5.08 -1.00 -2.02 114.58 122.39 1gm0 h GLU 137 Ca 0.46 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1gm0 h GLU 137 Cb 0.31 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1gm0 h GLU 137 CO -0.22 0.36 0.01 0.97 -1.00 0.00 0.00 179.01 179.13 1gm0 h ILE 138 N -0.81 0.82 -0.01 3.13 2.10 -1.72 0.08 117.51 121.10 1gm0 h ILE 138 Ca -0.01 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.72 1gm0 h ILE 138 Cb 0.57 0.99 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1gm0 h ILE 138 CO 0.02 0.00 -0.88 -0.07 -1.08 0.00 0.00 178.15 176.14 1gm0 h LEU 139 N 0.00 0.45 0.00 2.19 3.38 -1.50 0.80 115.31 120.64 1gm0 h LEU 139 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1gm0 h LEU 139 Cb 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gm0 h LEU 139 CO -0.00 1.14 0.04 0.00 0.09 0.00 0.00 178.44 179.71 1gm0 n ALA 140 N -2.51 0.92 0.00 1.53 0.00 -0.01 -4.21 120.51 116.22 1gm0 n ALA 140 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1gm0 n ALA 140 Cb 0.80 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.46 2.32 0.00 0.00 1.02 -0.62 -0.16 120.64 121.75 1gm0 n GLU 141 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1gm0 n GLU 141 Cb 0.04 -0.86 0.15 0.00 -0.02 0.00 0.00 31.44 30.75 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59