#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm0 n GLN 2 N 0.00 2.64 -1.26 1.43 6.02 -1.26 -4.89 117.38 120.07 1gm0 n GLN 2 Ca 0.00 0.94 -0.23 0.00 -0.01 0.00 0.00 57.00 57.71 1gm0 n GLN 2 Cb 0.00 -2.73 0.13 0.00 1.02 0.00 0.00 30.24 28.67 1gm0 n GLN 2 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1gm0 n GLU 3 N 2.49 2.46 -2.31 -1.09 1.02 -1.26 -4.52 120.64 117.44 1gm0 n GLU 3 Ca 0.10 -3.30 -0.27 0.00 -0.02 0.00 0.00 57.16 53.67 1gm0 n GLU 3 Cb 0.36 -2.14 0.01 0.00 -0.02 0.00 0.00 31.44 29.65 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 -1.01 2.49 -2.67 2.62 0.31 -1.26 -4.45 118.33 114.35 1gm0 n VAL 4 Ca 0.52 -4.67 -0.00 0.00 -0.01 0.00 0.00 64.34 60.18 1gm0 n VAL 4 Cb 1.10 -1.23 0.05 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.55 1.17 -0.93 5.55 2.81 -1.26 -5.14 117.12 118.76 1gm0 n MET 5 Ca 0.42 -2.58 -0.31 0.00 -1.81 0.00 0.00 57.70 53.42 1gm0 n MET 5 Cb 0.73 -0.73 0.14 0.00 -0.71 0.00 0.00 33.22 32.65 1gm0 n MET 5 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1gm0 s LYS 6 N -1.99 1.37 -0.01 0.03 1.02 -1.26 -5.06 119.74 113.84 1gm0 s LYS 6 Ca 0.23 1.31 0.03 0.00 0.02 0.00 0.00 55.97 57.56 1gm0 s LYS 6 Cb 0.34 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1gm0 s LYS 6 CO -0.08 -2.31 -0.11 1.21 -0.92 0.00 0.00 175.35 173.14 1gm0 s ASN 7 N -2.99 1.29 0.02 2.83 2.47 -1.26 -5.02 114.94 112.28 1gm0 s ASN 7 Ca 0.65 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.73 1gm0 s ASN 7 Cb -0.20 -0.20 0.00 0.00 -1.45 0.00 0.00 41.25 39.40 1gm0 s ASN 7 CO 0.58 0.12 0.00 -0.11 -3.72 0.00 0.00 177.10 173.96 1gm0 n LEU 8 N 2.93 -3.65 0.12 3.21 -0.00 -1.26 -4.97 117.00 113.39 1gm0 n LEU 8 Ca -0.15 2.07 0.12 0.00 -0.00 0.00 0.00 56.01 58.05 1gm0 n LEU 8 Cb 0.56 -2.48 0.06 0.00 -0.00 0.00 0.00 43.42 41.56 1gm0 n LEU 8 CO 0.25 -2.19 0.25 0.28 -0.00 0.00 0.00 177.39 175.97 1gm0 h SER 9 N 4.14 0.00 -3.12 1.96 0.02 -1.99 -3.43 113.55 111.13 1gm0 h SER 9 Ca 0.00 -0.03 -0.37 0.00 -0.84 0.00 0.00 61.79 60.55 1gm0 h SER 9 Cb 0.00 0.00 0.20 0.00 0.14 0.00 0.00 62.40 62.74 1gm0 h SER 9 CO 0.00 0.01 -0.01 0.18 -1.14 0.00 0.00 176.83 175.87 1gm0 n LEU 10 N -2.70 0.00 -3.77 5.07 4.77 -1.26 -5.02 117.00 114.09 1gm0 n LEU 10 Ca 0.01 -1.01 -0.28 0.00 -0.03 0.00 0.00 56.01 54.70 1gm0 n LEU 10 Cb 0.53 -0.97 -0.12 0.00 -2.33 0.00 0.00 43.42 40.53 1gm0 n LEU 10 CO 0.38 -2.43 -0.14 0.21 -1.33 0.00 0.00 177.39 174.08 1gm0 s ASN 11 N -3.81 3.90 0.00 -1.43 3.84 -1.25 -4.95 114.94 111.24 1gm0 s ASN 11 Ca 0.67 -3.41 -0.20 0.00 0.21 0.00 0.00 52.86 50.13 1gm0 s ASN 11 Cb -0.09 -1.30 -0.24 0.00 -0.55 0.00 0.00 41.25 39.07 1gm0 s ASN 11 CO 0.53 -0.15 1.08 -0.26 -2.79 0.00 0.00 177.10 175.52 1gm0 h PHE 12 N 5.77 0.61 -1.01 0.43 -1.00 -1.91 -3.36 116.94 116.48 1gm0 h PHE 12 Ca 0.12 -0.34 0.21 0.00 2.81 0.00 0.00 57.97 60.77 1gm0 h PHE 12 Cb 0.83 -0.07 -0.11 0.00 3.61 0.00 0.00 35.95 40.21 1gm0 h PHE 12 CO 0.55 1.17 0.61 0.78 -1.61 0.00 0.00 178.31 179.80 1gm0 h GLY 13 N -0.12 1.84 0.89 -1.45 0.00 -1.96 0.13 103.07 102.40 1gm0 h GLY 13 Ca -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1gm0 h GLY 13 CO 0.12 -0.13 -0.43 0.50 0.00 0.00 0.00 176.54 176.61 1gm0 h LYS 14 N 0.70 -1.15 -0.77 4.80 1.79 -1.94 -0.80 116.57 119.20 1gm0 h LYS 14 Ca 0.60 0.08 0.10 0.00 -2.18 0.00 0.00 60.65 59.25 1gm0 h LYS 14 Cb 1.01 0.26 -0.07 0.00 -1.58 0.00 0.00 32.23 31.85 1gm0 h LYS 14 CO -0.42 -0.76 0.41 0.00 -1.08 0.00 0.00 179.45 177.60 1gm0 h ALA 15 N -1.38 1.10 -0.99 3.86 0.00 -1.56 -1.13 119.26 119.16 1gm0 h ALA 15 Ca -0.12 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1gm0 h ALA 15 Cb 0.91 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1gm0 h ALA 15 CO 0.20 0.01 0.63 -0.07 0.00 0.00 0.00 179.25 180.01 1gm0 h LEU 16 N 0.68 0.97 -2.29 0.00 3.38 -0.65 0.26 115.31 117.67 1gm0 h LEU 16 Ca 0.38 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1gm0 h LEU 16 Cb 0.40 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1gm0 h LEU 16 CO -0.27 0.59 -0.04 -0.78 0.09 0.00 0.00 178.44 178.03 1gm0 h ASP 17 N 1.09 0.00 0.00 -0.43 3.58 0.16 0.46 116.42 121.27 1gm0 h ASP 17 Ca 0.45 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.68 1gm0 h ASP 17 Cb 0.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1gm0 h ASP 17 CO -0.21 0.04 -1.46 -0.62 -2.88 0.00 0.00 179.24 174.11 1gm0 n GLU 18 N -3.33 0.54 -0.35 0.28 1.02 -0.64 -4.23 120.64 113.93 1gm0 n GLU 18 Ca -0.02 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1gm0 n GLU 18 Cb 0.17 -1.60 0.33 0.00 -0.02 0.00 0.00 31.44 30.32 1gm0 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gm0 h LYS 20 N 0.74 0.43 -0.51 0.00 5.09 -1.12 -1.95 116.57 119.25 1gm0 h LYS 20 Ca 0.59 -0.03 -0.09 0.00 0.09 0.00 0.00 60.65 61.21 1gm0 h LYS 20 Cb 0.94 -0.10 -0.02 0.00 0.10 0.00 0.00 32.23 33.15 1gm0 h LYS 20 CO -0.40 0.29 -0.04 0.87 -2.09 0.00 0.00 179.45 178.08 1gm0 h LYS 21 N 0.45 0.94 0.91 0.07 1.57 -0.54 0.80 116.57 120.76 1gm0 h LYS 21 Ca 0.23 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1gm0 h LYS 21 Cb 0.18 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1gm0 h LYS 21 CO -0.19 0.98 -0.44 0.93 -0.57 0.00 0.00 179.45 180.16 1gm0 h GLU 22 N 0.80 -1.18 -0.01 3.15 5.08 -1.04 -3.19 114.58 118.20 1gm0 h GLU 22 Ca 0.14 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1gm0 h GLU 22 Cb 0.58 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1gm0 h GLU 22 CO 0.03 -0.78 -0.21 -1.33 -1.00 0.00 0.00 179.01 175.73 1gm0 n MET 23 N -5.59 0.69 -3.00 2.33 2.81 -0.76 -4.93 117.12 108.67 1gm0 n MET 23 Ca -0.15 -0.34 -0.22 0.00 -1.81 0.00 0.00 57.70 55.18 1gm0 n MET 23 Cb 0.48 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.52 1gm0 n MET 23 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1gm0 n THR 24 N -0.86 -1.51 -0.50 2.03 5.66 0.18 -5.02 114.28 114.26 1gm0 n THR 24 Ca 0.12 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.84 1gm0 n THR 24 Cb 0.32 -2.83 0.22 0.00 -1.55 0.00 0.00 70.33 66.49 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 -3.74 -1.68 0.00 1.09 4.77 -0.64 -4.98 117.00 111.81 1gm0 n LEU 25 Ca -0.10 -0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 55.29 1gm0 n LEU 25 Cb 0.61 -1.00 0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1gm0 n LEU 25 CO 0.44 -3.48 0.69 0.35 -1.33 0.00 0.00 177.39 174.05 1gm0 n THR 26 N -4.87 0.00 0.03 -5.08 -2.24 -1.26 -4.83 114.28 96.02 1gm0 n THR 26 Ca 0.04 -1.08 -0.04 0.00 -2.27 0.00 0.00 64.05 60.70 1gm0 n THR 26 Cb 0.55 -1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.34 1gm0 n THR 26 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1gm0 h ASP 27 N -1.19 0.00 0.07 3.42 3.58 -2.00 -3.39 116.42 116.91 1gm0 h ASP 27 Ca -0.35 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 1gm0 h ASP 27 Cb 1.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 1gm0 h ASP 27 CO 0.29 0.80 -0.04 0.00 -2.88 0.00 0.00 179.24 177.41 1gm0 h ALA 28 N 1.20 1.65 -0.87 -0.78 0.00 -2.02 -0.75 119.26 117.70 1gm0 h ALA 28 Ca -0.17 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 54.95 1gm0 h ALA 28 Cb 1.76 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1gm0 h ALA 28 CO 0.07 0.05 0.78 -0.84 0.00 0.00 0.00 179.25 179.32 1gm0 h ILE 29 N 0.00 0.30 -0.87 0.00 -0.00 -1.95 0.16 117.51 115.14 1gm0 h ILE 29 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 65.00 1gm0 h ILE 29 Cb 0.09 0.41 -0.09 0.00 -0.00 0.00 0.00 36.82 37.22 1gm0 h ILE 29 CO 0.01 0.00 0.47 -1.13 -0.00 0.00 0.00 178.15 177.50 1gm0 h ASN 30 N 0.00 0.61 0.00 2.16 -0.73 -1.43 -2.33 115.58 113.86 1gm0 h ASN 30 Ca 0.41 0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.57 1gm0 h ASN 30 Cb 1.97 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 40.52 1gm0 h ASN 30 CO -0.00 0.28 -1.36 -0.62 -0.37 0.00 0.00 177.43 175.36 1gm0 n GLU 31 N -4.82 1.47 -0.25 6.67 -0.58 -0.68 -4.17 120.64 118.27 1gm0 n GLU 31 Ca 0.17 0.02 0.06 0.00 -0.42 0.00 0.00 57.16 57.00 1gm0 n GLU 31 Cb 0.41 -1.13 0.31 0.00 -0.57 0.00 0.00 31.44 30.46 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 0.77 0.07 1.62 3.58 -0.80 0.35 116.42 122.02 1gm0 h ASP 32 Ca -0.14 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1gm0 h ASP 32 Cb 1.26 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1gm0 h ASP 32 CO -0.01 0.48 -0.03 0.15 -2.88 0.00 0.00 179.24 176.95 1gm0 h PHE 33 N 0.87 -0.08 0.00 0.28 3.57 -1.62 -2.80 116.94 117.16 1gm0 h PHE 33 Ca 0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1gm0 h PHE 33 Cb 0.32 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1gm0 h PHE 33 CO -0.00 0.33 -0.09 1.88 -2.23 0.00 0.00 178.31 178.20 1gm0 h TYR 34 N -0.53 0.00 -0.04 0.41 -1.99 -1.52 -1.83 116.97 111.47 1gm0 h TYR 34 Ca -0.01 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.60 1gm0 h TYR 34 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1gm0 h TYR 34 CO 0.07 0.09 -0.51 -0.91 -0.00 0.00 0.00 178.16 176.89 1gm0 h ASN 35 N 0.00 0.13 -0.99 3.88 2.35 -0.30 -3.17 115.58 117.48 1gm0 h ASN 35 Ca -0.00 -0.06 0.21 0.00 -0.55 0.00 0.00 56.30 55.90 1gm0 h ASN 35 Cb 0.17 -0.04 -0.09 0.00 0.05 0.00 0.00 38.32 38.41 1gm0 h ASN 35 CO 0.01 0.62 0.62 0.15 -1.65 0.00 0.00 177.43 177.18 1gm0 h PHE 36 N 0.09 0.85 -0.06 1.19 3.57 -1.05 -0.85 116.94 120.69 1gm0 h PHE 36 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1gm0 h PHE 36 Cb 0.94 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1gm0 h PHE 36 CO 0.01 0.17 -0.46 -1.49 -2.23 0.00 0.00 178.31 174.31 1gm0 h TRP 37 N 0.59 0.17 -3.92 0.41 6.55 -1.69 -3.44 115.95 114.62 1gm0 h TRP 37 Ca 0.56 -0.05 -0.53 0.00 0.95 0.00 0.00 58.89 59.82 1gm0 h TRP 37 Cb 1.11 -0.04 0.08 0.00 -0.86 0.00 0.00 29.16 29.45 1gm0 h TRP 37 CO -0.00 0.58 0.64 0.15 -1.05 0.00 0.00 178.44 178.75 1gm0 s LYS 38 N -4.01 4.16 0.53 0.49 1.02 -0.33 -4.98 119.74 116.63 1gm0 s LYS 38 Ca -0.03 2.22 -0.20 0.00 0.02 0.00 0.00 55.97 57.97 1gm0 s LYS 38 Cb 0.13 -2.92 -0.06 0.00 -0.52 0.00 0.00 37.83 34.47 1gm0 s LYS 38 CO 0.76 -0.35 1.15 -1.21 -0.92 0.00 0.00 175.35 174.78 1gm0 s GLU 39 N -2.02 3.37 0.00 1.68 2.02 -1.26 -3.27 118.70 119.22 1gm0 s GLU 39 Ca 0.53 1.68 0.00 0.00 0.02 0.00 0.00 54.97 57.20 1gm0 s GLU 39 Cb -0.39 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1gm0 s GLU 39 CO 0.52 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1gm0 n GLY 40 N 0.27 0.89 3.26 -1.39 0.00 -1.26 -4.99 105.19 101.97 1gm0 n GLY 40 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.54 3.51 -0.67 1.61 2.02 -1.20 -4.96 117.35 114.11 1gm0 s TYR 41 Ca 0.00 -1.89 -0.07 0.00 -0.37 0.00 0.00 57.07 54.74 1gm0 s TYR 41 Cb 0.00 -3.65 -0.17 0.00 -0.40 0.00 0.00 41.96 37.74 1gm0 s TYR 41 CO 0.00 -0.98 3.10 -1.91 -1.57 0.00 0.00 175.55 174.19 1gm0 n GLU 42 N 4.44 2.52 -2.11 -0.62 4.07 -1.26 -4.62 120.64 123.05 1gm0 n GLU 42 Ca 0.01 -1.42 -0.42 0.00 -0.06 0.00 0.00 57.16 55.26 1gm0 n GLU 42 Cb 0.42 -2.30 -0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1gm0 n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1gm0 n ILE 43 N 3.07 3.66 -0.69 6.31 2.08 -1.26 -4.68 119.36 127.85 1gm0 n ILE 43 Ca 0.54 -3.50 0.03 0.00 0.56 0.00 0.00 62.75 60.39 1gm0 n ILE 43 Cb 0.56 -2.49 0.34 0.00 -0.75 0.00 0.00 39.64 37.29 1gm0 n ILE 43 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1gm0 n LYS 44 N 7.14 4.21 -2.48 0.38 2.85 -1.26 -4.88 118.16 124.13 1gm0 n LYS 44 Ca 0.51 -2.76 -0.34 0.00 -1.05 0.00 0.00 58.31 54.66 1gm0 n LYS 44 Cb 0.42 -2.17 -0.03 0.00 -0.65 0.00 0.00 35.03 32.61 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 -0.71 6.21 0.20 -5.58 2.47 -1.26 -4.94 114.94 111.32 1gm0 s ASN 45 Ca 0.48 1.99 -0.11 0.00 0.42 0.00 0.00 52.86 55.64 1gm0 s ASN 45 Cb 0.37 -2.57 0.25 0.00 -1.45 0.00 0.00 41.25 37.86 1gm0 s ASN 45 CO 0.14 -0.88 1.70 0.03 -3.72 0.00 0.00 177.10 174.36 1gm0 h ARG 46 N 1.50 0.19 0.00 0.43 3.08 -1.94 -1.01 114.38 116.63 1gm0 h ARG 46 Ca -0.50 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1gm0 h ARG 46 Cb 1.23 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1gm0 h ARG 46 CO 0.59 0.13 -0.13 0.93 -1.07 0.00 0.00 179.97 180.41 1gm0 h GLU 47 N 0.20 0.00 -0.34 0.04 5.08 -1.94 0.24 114.58 117.85 1gm0 h GLU 47 Ca 0.29 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1gm0 h GLU 47 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1gm0 h GLU 47 CO -0.41 0.13 0.03 1.15 -1.00 0.00 0.00 179.01 178.90 1gm0 h THR 48 N 0.00 0.78 -0.11 1.13 2.02 -1.52 -1.08 112.91 114.13 1gm0 h THR 48 Ca -0.00 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 1gm0 h THR 48 Cb 0.31 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1gm0 h THR 48 CO 0.02 0.02 -0.49 1.23 0.37 0.00 0.00 175.52 176.67 1gm0 h GLY 49 N 0.13 0.31 1.12 2.16 0.00 -1.01 -2.81 103.07 102.97 1gm0 h GLY 49 Ca 0.16 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1gm0 h GLY 49 CO -0.25 0.30 0.29 0.00 0.00 0.00 0.00 176.54 176.87 1gm0 h ALA 51 N 1.22 0.13 0.14 0.00 0.00 -0.99 -0.97 119.26 118.80 1gm0 h ALA 51 Ca 0.25 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1gm0 h ALA 51 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1gm0 h ALA 51 CO -0.02 -0.39 -0.23 0.82 0.00 0.00 0.00 179.25 179.44 1gm0 h ILE 52 N 0.13 0.50 0.00 0.00 2.04 -1.22 -0.06 117.51 118.90 1gm0 h ILE 52 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1gm0 h ILE 52 Cb -0.01 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1gm0 h ILE 52 CO -0.02 0.00 0.00 -0.03 0.00 0.00 0.00 178.15 178.10 1gm0 h MET 53 N -0.44 0.00 0.13 2.37 4.05 -1.03 0.73 114.93 120.75 1gm0 h MET 53 Ca 0.02 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.13 1gm0 h MET 53 Cb 0.45 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1gm0 h MET 53 CO -0.11 0.00 -1.59 0.00 0.23 0.00 0.00 176.91 175.44 1gm0 h LEU 55 N -0.15 0.00 -2.54 0.00 4.07 -0.30 -0.10 115.31 116.29 1gm0 h LEU 55 Ca -0.33 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 1gm0 h LEU 55 Cb 1.88 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.62 1gm0 h LEU 55 CO 0.09 0.02 -0.02 0.77 -1.08 0.00 0.00 178.44 178.22 1gm0 h SER 56 N 0.00 0.00 -0.36 -0.43 4.64 -1.05 -2.56 113.55 113.79 1gm0 h SER 56 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1gm0 h SER 56 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1gm0 h SER 56 CO 0.00 0.02 0.03 1.07 -0.87 0.00 0.00 176.83 177.08 1gm0 n THR 57 N -3.34 2.45 -1.97 2.95 5.66 -0.05 -4.33 114.28 115.65 1gm0 n THR 57 Ca -0.02 -1.99 0.03 0.00 -3.05 0.00 0.00 64.05 59.02 1gm0 n THR 57 Cb 0.12 -0.28 0.05 0.00 -1.55 0.00 0.00 70.33 68.67 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 -0.53 0.36 -0.20 1.09 4.76 -0.96 -4.90 118.16 117.77 1gm0 n LYS 58 Ca 0.27 -1.78 0.09 0.00 -2.87 0.00 0.00 58.31 54.02 1gm0 n LYS 58 Cb 1.00 -0.61 0.38 0.00 -1.84 0.00 0.00 35.03 33.96 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 0.40 0.62 -1.66 -0.35 3.38 -1.75 0.66 115.31 116.62 1gm0 h LEU 59 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1gm0 h LEU 59 Cb 1.45 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1gm0 h LEU 59 CO 0.03 0.38 0.00 -0.55 0.09 0.00 0.00 178.44 178.39 1gm0 h ASN 60 N 0.69 0.00 0.26 -0.43 -1.07 -1.82 -0.19 115.58 113.03 1gm0 h ASN 60 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1gm0 h ASN 60 Cb 0.44 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1gm0 h ASN 60 CO -0.13 0.00 -1.49 0.23 0.07 0.00 0.00 177.43 176.11 1gm0 n MET 61 N -2.50 0.49 -0.02 4.14 2.81 0.21 -4.46 117.12 117.80 1gm0 n MET 61 Ca -0.01 -0.08 -0.18 0.00 -1.81 0.00 0.00 57.70 55.62 1gm0 n MET 61 Cb 0.10 -1.59 -0.14 0.00 -0.71 0.00 0.00 33.22 30.88 1gm0 n MET 61 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1gm0 n LEU 62 N -2.17 2.26 -4.05 4.03 4.77 -0.29 -4.54 117.00 117.02 1gm0 n LEU 62 Ca -0.01 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.86 1gm0 n LEU 62 Cb 0.51 -0.81 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 1gm0 n LEU 62 CO 0.43 0.77 -0.30 -0.62 -1.33 0.00 0.00 177.39 176.34 1gm0 s ASP 63 N -6.77 4.86 0.46 -1.43 -1.08 -0.24 -3.88 116.67 108.58 1gm0 s ASP 63 Ca -0.20 -2.08 0.17 0.00 -0.52 0.00 0.00 52.55 49.92 1gm0 s ASP 63 Cb 0.07 -1.67 1.08 0.00 -1.46 0.00 0.00 42.92 40.95 1gm0 s ASP 63 CO 0.77 -0.40 2.00 1.55 0.52 0.00 0.00 175.17 179.61 1gm0 h PRO 64 N 7.72 0.00 0.00 4.34 0.13 -1.86 -1.60 132.00 140.73 1gm0 h PRO 64 Ca -0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1gm0 h PRO 64 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1gm0 h PRO 64 CO 0.55 0.18 -0.30 0.93 -0.23 0.00 0.00 178.00 179.13 1gm0 h GLU 65 N 0.00 0.00 0.00 0.86 5.08 -1.94 -3.47 114.58 115.11 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 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1gm0 h GLU 65 CO 0.02 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 1gm0 n GLY 66 N -0.44 0.75 0.36 -3.84 0.00 -0.60 -4.99 105.19 96.43 1gm0 n GLY 66 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.98 -0.57 1.61 2.35 -1.91 -3.35 115.58 114.70 1gm0 h ASN 67 Ca 0.00 -0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.50 1gm0 h ASN 67 Cb 0.00 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1gm0 h ASN 67 CO 0.00 0.73 0.58 -0.22 -1.65 0.00 0.00 177.43 176.86 1gm0 s LEU 68 N -9.93 3.04 0.34 1.61 2.96 -1.26 -4.36 118.68 111.08 1gm0 s LEU 68 Ca -0.12 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.12 1gm0 s LEU 68 Cb 0.18 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1gm0 s LEU 68 CO 0.80 -3.17 0.56 -1.00 -1.32 0.00 0.00 176.35 172.23 1gm0 s HIS 69 N 11.69 3.50 -0.06 5.38 3.76 -0.92 -4.62 115.29 134.02 1gm0 s HIS 69 Ca 0.76 0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 55.81 1gm0 s HIS 69 Cb -0.07 -1.96 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 1gm0 s HIS 69 CO 0.04 0.11 1.78 -1.58 -0.85 0.00 0.00 174.74 174.24 1gm0 s HIS 70 N -2.30 1.73 -0.63 1.40 2.46 -1.26 -1.53 115.29 115.16 1gm0 s HIS 70 Ca 0.41 0.06 0.00 0.00 0.47 0.00 0.00 55.06 56.00 1gm0 s HIS 70 Cb -0.10 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.33 1gm0 s HIS 70 CO 0.36 -4.28 0.00 0.41 -2.47 0.00 0.00 174.74 168.76 1gm0 n GLY 71 N 4.43 0.71 2.60 1.59 0.00 0.57 -4.91 105.19 110.18 1gm0 n GLY 71 Ca 0.19 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.51 -2.20 -1.40 1.61 2.85 -0.58 -4.98 115.26 110.04 1gm0 n ASN 72 Ca -0.06 -2.69 0.07 0.00 -0.11 0.00 0.00 54.58 51.79 1gm0 n ASN 72 Cb 0.39 0.78 0.30 0.00 1.24 0.00 0.00 39.78 42.49 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 2.87 3.12 0.09 5.20 0.00 -1.24 -2.16 120.51 128.39 1gm0 n ALA 73 Ca 0.23 -1.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.18 1gm0 n ALA 73 Cb 0.53 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 3.31 0.38 -0.11 0.00 2.86 -1.92 0.30 114.93 119.74 1gm0 h MET 74 Ca 0.00 -0.52 -0.16 0.00 -2.06 0.00 0.00 59.70 56.96 1gm0 h MET 74 Cb 1.32 0.17 0.01 0.00 0.06 0.00 0.00 31.60 33.16 1gm0 h MET 74 CO 0.23 1.20 -0.55 0.93 1.06 0.00 0.00 176.91 179.78 1gm0 h GLU 75 N 0.17 0.58 -0.47 1.72 5.08 -1.86 -2.01 114.58 117.79 1gm0 h GLU 75 Ca -0.12 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1gm0 h GLU 75 Cb 1.80 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.09 1gm0 h GLU 75 CO 0.19 1.09 0.15 0.35 -1.00 0.00 0.00 179.01 179.80 1gm0 h PHE 76 N 0.20 0.27 -0.03 4.33 3.57 -1.72 -2.14 116.94 121.42 1gm0 h PHE 76 Ca -0.04 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 1gm0 h PHE 76 Cb 1.19 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1gm0 h PHE 76 CO 0.11 0.09 -0.60 0.00 -2.23 0.00 0.00 178.31 175.67 1gm0 h ALA 77 N 1.32 0.95 0.00 2.41 0.00 -0.45 -2.50 119.26 120.99 1gm0 h ALA 77 Ca 0.22 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1gm0 h ALA 77 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gm0 h ALA 77 CO -0.24 0.74 -0.13 0.87 0.00 0.00 0.00 179.25 180.49 1gm0 h LYS 78 N 0.07 0.00 0.00 0.00 1.57 -0.75 0.12 116.57 117.58 1gm0 h LYS 78 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1gm0 h LYS 78 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1gm0 h LYS 78 CO 0.08 0.13 -0.02 0.87 -0.57 0.00 0.00 179.45 179.95 1gm0 h LYS 79 N 0.00 0.00 -0.50 3.15 1.57 -0.93 -2.24 116.57 117.63 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 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1gm0 h LYS 79 CO 0.02 0.02 0.00 0.72 -0.57 0.00 0.00 179.45 179.64 1gm0 n HIS 80 N -3.86 0.67 -2.30 -1.35 8.25 0.29 -4.97 115.22 111.95 1gm0 n HIS 80 Ca -0.03 -0.44 -0.10 0.00 -0.26 0.00 0.00 57.72 56.89 1gm0 n HIS 80 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.13 -0.00 3.66 -1.41 0.00 -0.81 -4.91 105.19 102.85 1gm0 n GLY 81 Ca 0.18 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.58 3.56 1.06 4.61 0.00 -0.46 -4.97 121.76 122.97 1gm0 s ALA 82 Ca 0.04 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 1gm0 s ALA 82 Cb -0.02 -2.66 0.23 0.00 0.00 0.00 0.00 23.12 20.68 1gm0 s ALA 82 CO 0.05 -0.35 1.22 0.16 0.00 0.00 0.00 175.76 176.83 1gm0 s ASP 83 N 1.12 2.19 0.24 0.00 1.47 -1.26 -2.58 116.67 117.85 1gm0 s ASP 83 Ca 0.19 0.46 -0.04 0.00 1.18 0.00 0.00 52.55 54.35 1gm0 s ASP 83 Cb -0.15 -0.62 0.28 0.00 -0.34 0.00 0.00 42.92 42.08 1gm0 s ASP 83 CO 0.08 -3.32 1.74 -0.08 0.68 0.00 0.00 175.17 174.27 1gm0 h GLU 84 N -2.04 0.87 -0.30 2.11 4.81 -1.99 -0.14 114.58 117.90 1gm0 h GLU 84 Ca -0.45 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 58.36 1gm0 h GLU 84 Cb 1.27 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1gm0 h GLU 84 CO 0.38 0.86 -0.53 1.15 -0.73 0.00 0.00 179.01 180.13 1gm0 h THR 85 N 0.81 1.27 -0.29 0.32 2.02 -1.98 0.69 112.91 115.75 1gm0 h THR 85 Ca 0.16 -1.71 0.04 0.00 0.77 0.00 0.00 66.41 65.66 1gm0 h THR 85 Cb 0.46 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1gm0 h THR 85 CO 0.02 0.56 0.07 0.24 0.37 0.00 0.00 175.52 176.78 1gm0 h MET 86 N 0.69 0.18 0.61 6.66 2.86 -1.90 -1.15 114.93 122.87 1gm0 h MET 86 Ca 0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1gm0 h MET 86 Cb 1.14 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1gm0 h MET 86 CO 0.12 0.12 -0.41 0.00 1.06 0.00 0.00 176.91 177.80 1gm0 h ALA 87 N 1.20 -1.00 -0.52 6.32 0.00 -0.78 -2.73 119.26 121.76 1gm0 h ALA 87 Ca 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1gm0 h ALA 87 Cb 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1gm0 h ALA 87 CO -0.16 -1.08 0.34 0.37 0.00 0.00 0.00 179.25 178.71 1gm0 h GLN 88 N -0.97 0.56 -0.08 0.00 5.75 -0.77 0.12 115.11 119.71 1gm0 h GLN 88 Ca -0.07 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1gm0 h GLN 88 Cb 0.80 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.17 1gm0 h GLN 88 CO 0.05 0.37 -0.20 1.96 -2.65 0.00 0.00 178.83 178.36 1gm0 h GLN 89 N 0.57 -0.27 -0.35 1.69 1.08 -1.10 -1.60 115.11 115.13 1gm0 h GLN 89 Ca 0.21 0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.29 1gm0 h GLN 89 Cb 0.12 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1gm0 h GLN 89 CO -0.05 -0.18 -0.35 -0.07 -0.95 0.00 0.00 178.83 177.23 1gm0 h LEU 90 N -0.28 0.82 -0.52 1.46 3.38 -0.54 -2.62 115.31 117.02 1gm0 h LEU 90 Ca 0.08 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1gm0 h LEU 90 Cb 0.40 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1gm0 h LEU 90 CO -0.24 1.09 0.24 0.40 0.09 0.00 0.00 178.44 180.02 1gm0 h ILE 91 N 0.65 0.91 -0.56 1.22 2.04 -1.01 -1.42 117.51 119.34 1gm0 h ILE 91 Ca 0.06 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1gm0 h ILE 91 Cb 0.89 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1gm0 h ILE 91 CO 0.08 0.08 0.32 -0.78 0.00 0.00 0.00 178.15 177.85 1gm0 h ASP 92 N 0.46 0.68 -0.75 1.72 3.58 -1.08 -1.97 116.42 119.06 1gm0 h ASP 92 Ca 0.24 -0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.66 1gm0 h ASP 92 Cb 0.19 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 1gm0 h ASP 92 CO -0.19 0.56 0.45 0.40 -2.88 0.00 0.00 179.24 177.58 1gm0 h ILE 93 N 0.75 1.03 0.75 2.25 2.04 -1.15 0.25 117.51 123.43 1gm0 h ILE 93 Ca 0.20 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1gm0 h ILE 93 Cb 0.02 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1gm0 h ILE 93 CO -0.03 0.15 -0.49 0.58 0.00 0.00 0.00 178.15 178.36 1gm0 h VAL 94 N 0.84 0.03 -0.09 1.67 2.07 -0.50 0.27 116.25 120.54 1gm0 h VAL 94 Ca 0.32 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.76 1gm0 h VAL 94 Cb 0.13 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1gm0 h VAL 94 CO -0.16 0.00 -0.31 0.45 0.02 0.00 0.00 177.57 177.57 1gm0 h HIS 95 N -1.16 0.18 -0.39 1.57 3.86 -1.46 -1.03 115.15 116.72 1gm0 h HIS 95 Ca -0.10 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 1gm0 h HIS 95 Cb 0.94 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1gm0 h HIS 95 CO -0.12 0.47 0.18 0.78 0.86 0.00 0.00 177.93 180.09 1gm0 h GLY 96 N 1.05 0.58 1.56 2.45 0.00 -0.11 -2.87 103.07 105.72 1gm0 h GLY 96 Ca 0.02 -0.26 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 1gm0 h GLY 96 CO 0.05 0.25 -1.30 0.00 0.00 0.00 0.00 176.54 175.53 1gm0 h GLU 98 N 0.04 0.69 0.00 0.00 5.08 -1.04 -0.82 114.58 118.53 1gm0 h GLU 98 Ca -0.14 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1gm0 h GLU 98 Cb 1.93 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 1gm0 h GLU 98 CO 0.16 0.46 -0.58 0.87 -1.00 0.00 0.00 179.01 178.91 1gm0 h LYS 99 N 0.71 0.00 0.14 2.33 1.57 -1.44 -2.94 116.57 116.93 1gm0 h LYS 99 Ca 0.48 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.98 1gm0 h LYS 99 Cb 0.66 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.97 1gm0 h LYS 99 CO -0.34 0.58 -1.28 0.66 -0.57 0.00 0.00 179.45 178.50 1gm0 h SER 100 N 0.00 0.45 -2.72 0.86 4.64 -1.39 -3.46 113.55 111.93 1gm0 h SER 100 Ca -0.01 -0.49 -0.53 0.00 -0.47 0.00 0.00 61.79 60.29 1gm0 h SER 100 Cb 1.35 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1gm0 h SER 100 CO 0.08 1.39 0.97 -0.89 -0.87 0.00 0.00 176.83 177.51 1gm0 s THR 101 N -2.65 3.10 0.29 2.95 2.01 -0.33 -4.94 115.64 116.08 1gm0 s THR 101 Ca -0.05 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 1gm0 s THR 101 Cb 0.07 -3.36 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 1gm0 s THR 101 CO 0.89 0.00 1.52 -2.16 -0.69 0.00 0.00 174.62 174.17 1gm0 s PRO 102 N 2.53 4.18 -0.76 4.92 0.04 -1.26 -4.84 135.00 139.81 1gm0 s PRO 102 Ca 0.72 2.47 -0.26 0.00 0.04 0.00 0.00 61.00 63.97 1gm0 s PRO 102 Cb -0.39 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.00 1gm0 s PRO 102 CO 0.31 -0.53 2.29 0.00 0.04 0.00 0.00 177.00 179.12 1gm0 s ALA 103 N -0.18 1.08 0.44 8.56 0.00 -1.26 -4.86 121.76 125.55 1gm0 s ALA 103 Ca 0.60 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1gm0 s ALA 103 Cb -0.45 -4.53 -0.10 0.00 0.00 0.00 0.00 23.12 18.04 1gm0 s ALA 103 CO 0.48 -5.41 0.96 1.21 0.00 0.00 0.00 175.76 173.00 1gm0 s ASN 104 N 10.40 6.85 0.41 0.00 3.84 -1.26 -4.98 114.94 130.19 1gm0 s ASN 104 Ca 0.88 1.70 0.15 0.00 0.21 0.00 0.00 52.86 55.80 1gm0 s ASN 104 Cb -0.12 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 38.92 1gm0 s ASN 104 CO 0.09 -0.42 1.90 -0.78 -2.79 0.00 0.00 177.10 175.10 1gm0 h ASP 105 N 1.78 0.00 -3.67 -4.21 3.58 -2.02 -3.41 116.42 108.47 1gm0 h ASP 105 Ca -0.49 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.30 1gm0 h ASP 105 Cb 1.18 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.06 1gm0 h ASP 105 CO 0.61 0.29 -0.30 -0.62 -2.88 0.00 0.00 179.24 176.33 1gm0 s ASP 106 N -6.87 6.17 0.51 2.28 -1.08 -1.26 -4.95 116.67 111.47 1gm0 s ASP 106 Ca -0.03 -0.23 0.16 0.00 -0.52 0.00 0.00 52.55 51.93 1gm0 s ASP 106 Cb 0.15 -2.19 1.23 0.00 -1.46 0.00 0.00 42.92 40.65 1gm0 s ASP 106 CO 0.70 -0.32 2.12 0.50 0.52 0.00 0.00 175.17 178.69 1gm0 h LYS 107 N 8.45 0.00 0.54 4.34 1.63 -2.00 -1.08 116.57 128.46 1gm0 h LYS 107 Ca -0.30 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 1gm0 h LYS 107 Cb 1.15 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1gm0 h LYS 107 CO 0.69 0.04 -0.26 0.00 -3.45 0.00 0.00 179.45 176.46 1gm0 h ILE 109 N -0.80 1.27 0.17 0.00 2.04 -1.69 -0.28 117.51 118.22 1gm0 h ILE 109 Ca -0.07 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.46 1gm0 h ILE 109 Cb 0.59 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1gm0 h ILE 109 CO 0.12 0.44 -0.50 -0.25 0.00 0.00 0.00 178.15 177.96 1gm0 h TRP 110 N 0.66 -1.45 -0.90 1.37 7.01 -1.24 -1.45 115.95 119.94 1gm0 h TRP 110 Ca 0.09 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.27 1gm0 h TRP 110 Cb 0.73 0.61 -0.09 0.00 -2.10 0.00 0.00 29.16 28.31 1gm0 h TRP 110 CO 0.04 -0.58 0.50 1.15 -2.79 0.00 0.00 178.44 176.76 1gm0 h THR 111 N -0.75 0.77 -0.71 2.65 2.02 -0.69 0.15 112.91 116.34 1gm0 h THR 111 Ca -0.01 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1gm0 h THR 111 Cb 0.74 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1gm0 h THR 111 CO -0.24 0.13 0.44 0.25 0.37 0.00 0.00 175.52 176.47 1gm0 h LEU 112 N 0.72 0.72 0.30 2.58 5.85 -0.94 -0.44 115.31 124.11 1gm0 h LEU 112 Ca 0.48 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.20 1gm0 h LEU 112 Cb 0.64 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1gm0 h LEU 112 CO -0.34 0.50 -0.51 1.23 -0.34 0.00 0.00 178.44 178.98 1gm0 h GLY 113 N 0.86 -1.22 -0.01 3.75 0.00 0.33 -0.25 103.07 106.54 1gm0 h GLY 113 Ca 0.29 0.62 0.09 0.00 0.00 0.00 0.00 47.33 48.33 1gm0 h GLY 113 CO -0.12 -0.32 -0.20 -2.08 0.00 0.00 0.00 176.54 173.82 1gm0 h VAL 114 N -0.86 0.41 -0.13 4.60 2.07 -0.54 0.61 116.25 122.41 1gm0 h VAL 114 Ca -0.03 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.32 1gm0 h VAL 114 Cb 0.80 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1gm0 h VAL 114 CO -0.18 0.00 -0.62 0.00 0.02 0.00 0.00 177.57 176.79 1gm0 h ALA 115 N 1.17 0.67 -0.48 1.67 0.00 -1.11 0.34 119.26 121.52 1gm0 h ALA 115 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1gm0 h ALA 115 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1gm0 h ALA 115 CO -0.49 0.72 0.25 1.15 0.00 0.00 0.00 179.25 180.87 1gm0 h THR 116 N 0.35 1.18 0.16 0.00 2.02 -0.22 -1.66 112.91 114.74 1gm0 h THR 116 Ca -0.01 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1gm0 h THR 116 Cb 1.17 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1gm0 h THR 116 CO 0.11 0.19 -0.29 0.00 0.37 0.00 0.00 175.52 175.90 1gm0 h PHE 118 N -0.53 -1.13 -0.98 0.00 3.57 -0.56 0.47 116.94 117.78 1gm0 h PHE 118 Ca 0.02 0.02 0.34 0.00 3.53 0.00 0.00 57.97 61.88 1gm0 h PHE 118 Cb 0.54 0.46 -0.16 0.00 2.79 0.00 0.00 35.95 39.58 1gm0 h PHE 118 CO -0.24 -0.49 0.44 -0.22 -2.23 0.00 0.00 178.31 175.56 1gm0 h LYS 119 N -0.69 0.15 0.02 1.11 1.63 -1.40 0.18 116.57 117.57 1gm0 h LYS 119 Ca -0.03 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.56 1gm0 h LYS 119 Cb 0.63 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1gm0 h LYS 119 CO -0.13 0.10 -0.95 0.00 -3.45 0.00 0.00 179.45 175.02 1gm0 h ALA 120 N 1.91 0.44 -0.10 5.00 0.00 -1.19 -3.20 119.26 122.12 1gm0 h ALA 120 Ca 0.73 -0.82 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1gm0 h ALA 120 Cb 1.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1gm0 h ALA 120 CO -0.71 1.09 -0.24 0.93 0.00 0.00 0.00 179.25 180.32 1gm0 h GLU 121 N 0.03 0.17 -0.26 0.00 4.39 0.15 -1.83 114.58 117.23 1gm0 h GLU 121 Ca -0.03 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1gm0 h GLU 121 Cb 1.65 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.27 1gm0 h GLU 121 CO 0.13 0.40 0.17 0.82 -1.16 0.00 0.00 179.01 179.38 1gm0 h ILE 122 N 0.15 0.98 0.00 3.13 2.04 -1.25 -0.25 117.51 122.32 1gm0 h ILE 122 Ca 0.03 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1gm0 h ILE 122 Cb 0.51 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1gm0 h ILE 122 CO 0.04 0.04 0.00 1.57 0.00 0.00 0.00 178.15 179.79 1gm0 n HIS 123 N -4.49 0.69 0.02 1.37 -0.00 -0.69 -1.98 115.22 110.14 1gm0 n HIS 123 Ca 0.02 0.30 0.05 0.00 0.46 0.00 0.00 57.72 58.55 1gm0 n HIS 123 Cb 0.18 -0.98 -0.10 0.00 -0.12 0.00 0.00 29.99 28.98 1gm0 n HIS 123 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1gm0 n LYS 124 N -2.15 0.64 -1.15 1.57 5.02 -0.13 -4.93 118.16 117.03 1gm0 n LYS 124 Ca 0.01 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1gm0 n LYS 124 Cb 0.17 -1.69 0.14 0.00 -0.02 0.00 0.00 35.03 33.63 1gm0 n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gm0 s LEU 125 N -5.24 2.35 0.00 -0.35 1.43 -0.84 -4.99 118.68 111.05 1gm0 s LEU 125 Ca -0.05 1.59 0.26 0.00 -1.03 0.00 0.00 54.13 54.91 1gm0 s LEU 125 Cb 0.10 -4.03 0.70 0.00 0.03 0.00 0.00 46.19 43.00 1gm0 s LEU 125 CO 0.84 -2.65 1.55 -3.20 0.23 0.00 0.00 176.35 173.12 1gm0 n ASN 126 N -3.90 1.95 -2.19 2.29 5.15 -1.26 -4.94 115.26 112.36 1gm0 n ASN 126 Ca 0.07 -1.60 -0.04 0.00 -0.60 0.00 0.00 54.58 52.41 1gm0 n ASN 126 Cb 0.55 0.04 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 1gm0 n ASN 126 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1gm0 n TRP 127 N 0.46 0.12 -3.38 1.20 4.27 -1.26 -5.16 117.44 113.69 1gm0 n TRP 127 Ca 0.16 -0.38 -0.12 0.00 -3.89 0.00 0.00 57.50 53.28 1gm0 n TRP 127 Cb 0.44 -0.03 -0.09 0.00 -1.36 0.00 0.00 31.31 30.27 1gm0 n TRP 127 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gm0 s ALA 128 N -2.14 -0.86 0.80 -1.67 0.00 -1.26 -4.89 121.76 111.73 1gm0 s ALA 128 Ca 0.01 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 1gm0 s ALA 128 Cb 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.50 1gm0 s ALA 128 CO 0.01 -1.40 1.12 -2.14 0.00 0.00 0.00 175.76 173.35 1gm0 s PRO 129 N 2.48 1.93 0.75 0.00 0.02 -1.26 -5.03 135.00 133.89 1gm0 s PRO 129 Ca 0.11 1.37 -0.12 0.00 0.02 0.00 0.00 61.00 62.38 1gm0 s PRO 129 Cb -0.15 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.57 1gm0 s PRO 129 CO -0.20 -1.92 1.11 -1.12 -0.33 0.00 0.00 177.00 174.55 1gm0 s SER 130 N -2.94 4.48 0.24 2.53 0.01 -1.26 -4.79 113.70 111.98 1gm0 s SER 130 Ca 0.65 1.97 -0.04 0.00 1.31 0.00 0.00 55.95 59.84 1gm0 s SER 130 Cb -0.20 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.75 1gm0 s SER 130 CO 0.54 -2.05 1.77 0.24 0.41 0.00 0.00 173.24 174.15 1gm0 h MET 131 N -0.76 0.97 -0.59 12.44 2.86 -1.98 0.66 114.93 128.53 1gm0 h MET 131 Ca -0.45 -0.22 0.08 0.00 -2.06 0.00 0.00 59.70 57.06 1gm0 h MET 131 Cb 1.25 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.70 1gm0 h MET 131 CO 0.51 0.87 0.24 -0.44 1.06 0.00 0.00 176.91 179.15 1gm0 h ASP 132 N 0.93 0.28 0.00 1.22 5.19 -1.97 0.83 116.42 122.89 1gm0 h ASP 132 Ca 0.20 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1gm0 h ASP 132 Cb 0.34 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1gm0 h ASP 132 CO 0.00 0.17 0.00 0.52 -3.12 0.00 0.00 179.24 176.81 1gm0 n VAL 133 N -4.96 0.00 -0.10 -1.35 0.31 -0.94 -1.35 118.33 109.94 1gm0 n VAL 133 Ca 0.08 1.20 -0.06 0.00 -0.01 0.00 0.00 64.34 65.55 1gm0 n VAL 133 Cb 0.24 -2.16 0.02 0.00 -0.91 0.00 0.00 33.84 31.03 1gm0 n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gm0 h ALA 134 N -2.00 0.40 -0.25 3.52 0.00 -0.78 0.14 119.26 120.30 1gm0 h ALA 134 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1gm0 h ALA 134 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1gm0 h ALA 134 CO 0.00 -0.31 -0.03 0.28 0.00 0.00 0.00 179.25 179.20 1gm0 h VAL 135 N 0.23 1.27 -0.92 0.00 2.07 -1.00 -2.66 116.25 115.24 1gm0 h VAL 135 Ca 0.17 -0.98 0.22 0.00 0.82 0.00 0.00 66.70 66.93 1gm0 h VAL 135 Cb 0.17 1.42 -0.12 0.00 -1.52 0.00 0.00 31.29 31.24 1gm0 h VAL 135 CO -0.20 0.31 0.44 1.23 0.02 0.00 0.00 177.57 179.37 1gm0 h GLY 136 N 0.21 1.62 0.24 2.17 0.00 0.26 -1.60 103.07 105.96 1gm0 h GLY 136 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1gm0 h GLY 136 CO 0.02 -0.26 -0.03 0.83 0.00 0.00 0.00 176.54 177.10 1gm0 h GLU 137 N 0.44 -0.07 0.00 4.80 5.08 -0.69 -1.30 114.58 122.85 1gm0 h GLU 137 Ca 0.58 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.93 1gm0 h GLU 137 Cb 1.09 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1gm0 h GLU 137 CO -0.51 0.53 -0.08 0.97 -1.00 0.00 0.00 179.01 178.92 1gm0 h ILE 138 N -0.84 1.01 -0.46 3.13 2.10 -1.33 0.57 117.51 121.70 1gm0 h ILE 138 Ca -0.01 -0.28 -0.13 0.00 1.08 0.00 0.00 64.86 65.52 1gm0 h ILE 138 Cb 0.64 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 1gm0 h ILE 138 CO 0.01 0.08 -0.24 -0.07 -1.08 0.00 0.00 178.15 176.85 1gm0 h LEU 139 N 0.00 0.99 -0.54 2.19 3.38 -1.28 0.13 115.31 120.18 1gm0 h LEU 139 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1gm0 h LEU 139 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1gm0 h LEU 139 CO 0.01 1.17 0.10 0.00 0.09 0.00 0.00 178.44 179.81 1gm0 n ALA 140 N -2.52 0.85 0.00 1.53 0.00 0.18 -4.04 120.51 116.51 1gm0 n ALA 140 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1gm0 n ALA 140 Cb 0.47 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.75 0.00 0.00 0.00 1.02 -0.99 -0.32 120.64 118.60 1gm0 n GLU 141 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.20 1gm0 n GLU 141 Cb 0.11 -0.45 0.39 0.00 -0.02 0.00 0.00 31.44 31.48 1gm0 n GLU 141 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59