#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gmy s THR 2 N 0.00 0.00 0.00 -0.72 -1.32 -0.79 -1.34 115.64 111.47 3gmy s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3gmy s THR 2 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3gmy s THR 2 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3gmy n GLY 3 N 0.26 1.04 3.74 6.08 0.00 0.37 -3.75 105.19 112.93 3gmy n GLY 3 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3gmy n GLY 3 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gmy s PHE 4 N -2.09 3.16 0.21 1.61 5.36 0.10 -4.92 117.98 121.40 3gmy s PHE 4 Ca 0.00 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.19 3gmy s PHE 4 Cb 0.00 -3.67 -0.05 0.00 -0.34 0.00 0.00 43.02 38.96 3gmy s PHE 4 CO 0.00 -2.09 0.01 0.95 -1.46 0.00 0.00 175.22 172.63 3gmy s THR 5 N -0.12 0.82 0.34 0.12 -4.23 -1.26 -3.52 115.64 107.79 3gmy s THR 5 Ca 0.56 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 3gmy s THR 5 Cb -0.38 -2.27 0.31 0.00 1.34 0.00 0.00 72.50 71.49 3gmy s THR 5 CO 0.42 -0.36 1.89 -0.65 -0.54 0.00 0.00 174.62 175.38 3gmy h PRO 6 N 2.57 0.75 -0.48 3.99 0.11 -1.95 -2.03 132.00 134.95 3gmy h PRO 6 Ca -0.38 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.58 3gmy h PRO 6 Cb 1.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3gmy h PRO 6 CO 0.63 0.50 -0.12 1.49 -0.21 0.00 0.00 178.00 180.29 3gmy h GLU 7 N 0.78 0.90 -0.74 1.05 4.22 -1.98 -0.99 114.58 117.82 3gmy h GLU 7 Ca 0.41 -0.32 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 3gmy h GLU 7 Cb 0.52 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3gmy h GLU 7 CO -0.18 0.97 0.29 0.00 -2.18 0.00 0.00 179.01 177.92 3gmy h ARG 8 N 0.81 1.11 -0.41 1.92 3.08 -1.78 -2.12 114.38 116.98 3gmy h ARG 8 Ca 0.13 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3gmy h ARG 8 Cb 0.65 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3gmy h ARG 8 CO 0.05 0.91 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.88 3gmy h TYR 9 N 1.07 0.74 0.00 3.04 3.20 -0.79 -2.03 116.97 122.19 3gmy h TYR 9 Ca 0.25 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 3gmy h TYR 9 Cb 0.22 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3gmy h TYR 9 CO 0.02 0.73 -0.47 -0.97 -1.64 0.00 0.00 178.16 175.82 3gmy h ASN 10 N 0.65 0.00 0.73 -2.11 -1.24 -1.02 -2.94 115.58 109.64 3gmy h ASN 10 Ca 0.12 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.04 3gmy h ASN 10 Cb 0.48 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 3gmy h ASN 10 CO 0.02 0.47 -0.46 0.11 -1.29 0.00 0.00 177.43 176.29 3gmy h LYS 11 N 0.00 0.00 -6.47 6.67 1.57 -0.69 -3.45 116.57 114.20 3gmy h LYS 11 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 3gmy h LYS 11 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3gmy h LYS 11 CO 0.06 0.46 0.39 0.42 -0.57 0.00 0.00 179.45 180.21 3gmy s ILE 12 N -3.65 4.66 0.13 1.86 1.01 -1.00 -5.03 121.20 119.18 3gmy s ILE 12 Ca -0.01 2.00 0.04 0.00 0.00 0.00 0.00 60.65 62.69 3gmy s ILE 12 Cb 0.12 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3gmy s ILE 12 CO 0.71 0.21 -0.10 -1.10 0.00 0.00 0.00 174.94 174.66 3gmy s GLN 13 N 0.66 1.00 0.52 2.79 -1.52 -1.26 -4.99 119.66 116.86 3gmy s GLN 13 Ca 0.51 -1.36 -0.21 0.00 -1.95 0.00 0.00 55.36 52.36 3gmy s GLN 13 Cb -0.23 -0.62 -0.06 0.00 -0.22 0.00 0.00 33.01 31.88 3gmy s GLN 13 CO 0.29 0.09 1.18 -0.06 -0.25 0.00 0.00 175.29 176.54 3gmy s PHE 14 N -2.99 2.64 0.00 0.91 0.08 -1.26 -4.76 117.98 112.60 3gmy s PHE 14 Ca 0.13 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.70 3gmy s PHE 14 Cb 0.00 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 3gmy s PHE 14 CO 0.01 -1.83 0.00 0.41 -0.10 0.00 0.00 175.22 173.71 3gmy n GLY 15 N 0.40 -2.36 3.66 4.36 0.00 0.10 -4.91 105.19 106.44 3gmy n GLY 15 Ca 0.10 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 3gmy n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gmy s ASP 17 N 0.00 4.82 0.26 1.61 2.15 -1.26 -4.29 116.67 119.95 3gmy s ASP 17 Ca 0.00 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.66 3gmy s ASP 17 Cb 0.00 -1.06 0.50 0.00 -0.30 0.00 0.00 42.92 42.06 3gmy s ASP 17 CO 0.00 0.14 1.80 -0.09 -0.17 0.00 0.00 175.17 176.84 3gmy h ARG 18 N 3.13 0.76 -0.36 4.34 2.43 -1.45 0.09 114.38 123.33 3gmy h ARG 18 Ca -0.48 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 3gmy h ARG 18 Cb 1.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3gmy h ARG 18 CO 0.58 0.50 0.07 1.79 -1.51 0.00 0.00 179.97 181.40 3gmy h THR 19 N 0.78 1.17 0.11 0.20 1.35 -1.99 -0.92 112.91 113.61 3gmy h THR 19 Ca 0.46 -0.64 -0.28 0.00 -0.55 0.00 0.00 66.41 65.40 3gmy h THR 19 Cb 0.53 0.84 0.02 0.00 -1.73 0.00 0.00 68.15 67.80 3gmy h THR 19 CO -0.30 0.23 -1.20 0.25 -0.25 0.00 0.00 175.52 174.25 3gmy h LEU 20 N 0.51 0.70 -0.44 3.87 5.85 -1.47 -1.79 115.31 122.54 3gmy h LEU 20 Ca 0.12 -0.65 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 3gmy h LEU 20 Cb 0.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3gmy h LEU 20 CO -0.00 1.48 0.20 0.58 -0.34 0.00 0.00 178.44 180.36 3gmy h VAL 21 N 0.21 1.19 -0.58 1.05 2.07 -0.95 -0.92 116.25 118.32 3gmy h VAL 21 Ca -0.16 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3gmy h VAL 21 Cb 1.88 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 3gmy h VAL 21 CO 0.22 0.21 0.30 -0.25 0.02 0.00 0.00 177.57 178.07 3gmy h TRP 22 N 0.58 0.54 -0.09 1.57 2.91 -1.13 0.35 115.95 120.68 3gmy h TRP 22 Ca 0.15 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3gmy h TRP 22 Cb 0.15 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 3gmy h TRP 22 CO -0.00 0.25 0.01 0.37 -1.03 0.00 0.00 178.44 178.03 3gmy h GLN 23 N 0.56 0.15 0.00 2.65 4.15 -0.88 0.18 115.11 121.92 3gmy h GLN 23 Ca 0.26 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 3gmy h GLN 23 Cb 0.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3gmy h GLN 23 CO -0.19 0.39 -0.33 -0.07 -1.93 0.00 0.00 178.83 176.71 3gmy h LEU 24 N -0.12 0.00 -1.02 -2.39 3.38 -0.97 -2.21 115.31 111.99 3gmy h LEU 24 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gmy h LEU 24 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3gmy h LEU 24 CO 0.00 0.33 -0.03 0.00 0.09 0.00 0.00 178.44 178.84 3gmy h ALA 25 N 1.67 1.00 0.00 1.53 0.00 -0.80 -3.47 119.26 119.18 3gmy h ALA 25 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gmy h ALA 25 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3gmy h ALA 25 CO 0.04 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3gmy n GLY 26 N 0.35 1.35 7.00 0.00 0.00 -0.83 -4.52 105.19 108.54 3gmy n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gmy n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gmy n ALA 27 N -0.61 0.00 0.20 4.61 0.00 0.61 -2.67 120.51 122.64 3gmy n ALA 27 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3gmy n ALA 27 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 3gmy n ALA 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gmy h ASP 28 N 8.86 0.00 -0.33 0.00 3.32 -1.88 0.13 116.42 126.52 3gmy h ASP 28 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3gmy h ASP 28 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3gmy h ASP 28 CO 0.00 0.31 0.19 1.56 -1.72 0.00 0.00 179.24 179.58 3gmy h GLN 29 N 0.00 0.48 0.00 3.56 7.50 -1.85 -3.35 115.11 121.45 3gmy h GLN 29 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3gmy h GLN 29 Cb 0.82 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.25 3gmy h GLN 29 CO 0.04 0.36 -1.05 0.43 -1.50 0.00 0.00 178.83 177.10 3gmy n SER 30 N -4.44 4.48 -4.27 1.46 7.64 -0.96 -1.89 113.62 115.64 3gmy n SER 30 Ca 0.02 -0.01 -0.18 0.00 1.01 0.00 0.00 58.87 59.71 3gmy n SER 30 Cb 0.10 1.08 -0.11 0.00 -1.01 0.00 0.00 64.21 64.27 3gmy n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gmy s SER 32 N -2.72 2.78 -0.50 0.00 0.15 0.32 -4.54 113.70 109.18 3gmy s SER 32 Ca 0.13 -0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.15 3gmy s SER 32 Cb -0.03 -0.91 0.09 0.00 -1.71 0.00 0.00 66.02 63.45 3gmy s SER 32 CO 0.04 0.19 0.47 -0.62 1.20 0.00 0.00 173.24 174.52 3gmy s ASP 33 N 0.05 6.17 0.00 5.45 -1.08 -1.26 -0.81 116.67 125.18 3gmy s ASP 33 Ca -0.08 -1.40 0.19 0.00 -0.52 0.00 0.00 52.55 50.74 3gmy s ASP 33 Cb -0.14 -2.21 0.74 0.00 -1.46 0.00 0.00 42.92 39.84 3gmy s ASP 33 CO 0.05 -0.76 1.53 0.00 0.52 0.00 0.00 175.17 176.50 3gmy n GLN 34 N 5.41 1.64 0.00 4.34 1.13 0.03 -4.98 117.38 124.95 3gmy n GLN 34 Ca -0.12 -0.97 0.00 0.00 -1.94 0.00 0.00 57.00 53.97 3gmy n GLN 34 Cb 0.43 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.41 3gmy n GLN 34 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gmy n VAL 35 N 0.20 0.00 0.25 5.09 0.31 -1.26 -4.25 118.33 118.67 3gmy n VAL 35 Ca 0.15 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.58 3gmy n VAL 35 Cb 0.29 0.00 0.66 0.00 -0.91 0.00 0.00 33.84 33.88 3gmy n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3gmy h GLU 36 N 0.00 0.00 -2.89 5.55 4.22 -1.97 -3.45 114.58 116.03 3gmy h GLU 36 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 3gmy h GLU 36 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 3gmy h GLU 36 CO 0.00 0.12 0.26 -0.98 -2.18 0.00 0.00 179.01 176.23 3gmy s ARG 37 N -4.47 1.42 -0.13 1.92 1.70 -1.26 -4.69 118.95 113.45 3gmy s ARG 37 Ca -0.04 -0.66 -0.04 0.00 -0.47 0.00 0.00 55.73 54.53 3gmy s ARG 37 Cb 0.15 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 35.06 3gmy s ARG 37 CO 0.63 -0.64 0.01 0.42 -1.08 0.00 0.00 175.30 174.64 3gmy s ILE 38 N -3.73 4.33 -0.14 4.99 1.01 0.09 -0.79 121.20 126.97 3gmy s ILE 38 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 3gmy s ILE 38 Cb -0.03 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 3gmy s ILE 38 CO -0.04 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.68 3gmy s ILE 39 N -0.25 2.98 -0.06 2.92 1.01 0.01 -0.92 121.20 126.89 3gmy s ILE 39 Ca 0.06 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3gmy s ILE 39 Cb -0.12 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3gmy s ILE 39 CO 0.02 0.52 -0.19 0.00 0.00 0.00 0.00 174.94 175.29 3gmy s TYR 41 N 0.21 3.06 0.20 0.00 2.02 0.30 -1.29 117.35 121.84 3gmy s TYR 41 Ca -0.09 0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 56.55 3gmy s TYR 41 Cb -0.14 -1.80 0.15 0.00 -0.40 0.00 0.00 41.96 39.76 3gmy s TYR 41 CO 0.04 0.32 1.82 -0.97 -1.57 0.00 0.00 175.55 175.19 3gmy h ASN 42 N 5.53 0.94 -5.27 2.29 -0.73 -1.05 0.39 115.58 117.68 3gmy h ASN 42 Ca -0.46 -0.10 -0.13 0.00 1.87 0.00 0.00 56.30 57.48 3gmy h ASN 42 Cb 1.18 -0.24 -0.06 0.00 0.27 0.00 0.00 38.32 39.48 3gmy h ASN 42 CO 0.56 0.77 -0.01 0.54 -0.37 0.00 0.00 177.43 178.92 3gmy s ASN 43 N -6.07 0.35 0.65 1.15 2.20 -1.26 -0.48 114.94 111.47 3gmy s ASN 43 Ca -0.13 -1.21 0.41 0.00 -0.94 0.00 0.00 52.86 50.99 3gmy s ASN 43 Cb 0.15 0.71 2.21 0.00 -2.00 0.00 0.00 41.25 42.32 3gmy s ASN 43 CO 0.80 -1.39 2.24 -0.65 -2.94 0.00 0.00 177.10 175.17 3gmy h PRO 44 N 2.10 0.00 -6.43 3.55 0.11 -1.57 -3.38 132.00 126.37 3gmy h PRO 44 Ca -0.28 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.27 3gmy h PRO 44 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3gmy h PRO 44 CO 0.38 0.00 1.13 0.34 -0.21 0.00 0.00 178.00 179.63 3gmy s ASP 45 N -4.93 6.16 0.00 -2.05 2.15 -1.26 -4.68 116.67 112.05 3gmy s ASP 45 Ca -0.05 0.74 0.27 0.00 0.43 0.00 0.00 52.55 53.95 3gmy s ASP 45 Cb 0.12 -2.54 0.94 0.00 -0.30 0.00 0.00 42.92 41.14 3gmy s ASP 45 CO 0.37 -1.60 1.68 1.41 -0.17 0.00 0.00 175.17 176.86 3gmy n HIS 46 N 9.45 0.01 1.39 -5.34 8.25 -1.26 -0.89 115.22 126.84 3gmy n HIS 46 Ca 0.17 -0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.76 3gmy n HIS 46 Cb 0.48 0.00 0.56 0.00 1.12 0.00 0.00 29.99 32.15 3gmy n HIS 46 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gmy n TYR 47 N 0.32 0.00 -1.32 4.41 4.01 -1.26 -4.98 117.16 118.34 3gmy n TYR 47 Ca 0.18 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.91 3gmy n TYR 47 Cb 0.38 -0.15 0.01 0.00 -0.31 0.00 0.00 39.34 39.28 3gmy n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gmy n GLY 48 N 1.28 -0.74 3.70 2.72 0.00 -0.06 -4.97 105.19 107.11 3gmy n GLY 48 Ca 0.15 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3gmy n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gmy n PRO 49 N -1.17 2.14 -3.51 1.61 -0.02 -1.26 -4.84 135.00 127.94 3gmy n PRO 49 Ca 0.01 0.75 -0.16 0.00 -2.02 0.00 0.00 63.50 62.08 3gmy n PRO 49 Cb 0.04 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 3gmy n PRO 49 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3gmy s GLN 50 N -1.95 1.04 0.01 -0.52 -2.07 -1.26 -0.87 119.66 114.04 3gmy s GLN 50 Ca 0.56 0.11 0.03 0.00 -1.82 0.00 0.00 55.36 54.24 3gmy s GLN 50 Cb -0.55 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 31.82 3gmy s GLN 50 CO 0.62 -0.35 -0.04 0.20 -1.32 0.00 0.00 175.29 174.40 3gmy s GLY 51 N -1.48 1.81 0.03 2.60 0.00 -0.41 -4.46 107.32 105.41 3gmy s GLY 51 Ca -0.07 -1.01 0.09 0.00 0.00 0.00 0.00 44.72 43.72 3gmy s GLY 51 CO 0.05 -0.90 -0.26 0.30 0.00 0.00 0.00 173.10 172.30 3gmy s HIS 52 N -1.07 2.25 -0.02 1.90 3.76 0.53 -0.60 115.29 122.04 3gmy s HIS 52 Ca 0.19 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.71 3gmy s HIS 52 Cb -0.11 -1.37 -0.00 0.00 1.11 0.00 0.00 32.58 32.21 3gmy s HIS 52 CO 0.10 0.08 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.92 3gmy s PHE 53 N -0.75 0.89 0.07 1.40 0.08 -0.09 -1.06 117.98 118.51 3gmy s PHE 53 Ca 0.11 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.01 3gmy s PHE 53 Cb -0.10 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3gmy s PHE 53 CO 0.01 -0.07 -0.14 -0.06 -0.10 0.00 0.00 175.22 174.87 3gmy s PHE 54 N 0.05 1.18 0.11 0.36 0.40 -0.28 -0.73 117.98 119.08 3gmy s PHE 54 Ca -0.01 -0.45 0.10 0.00 -0.60 0.00 0.00 56.93 55.98 3gmy s PHE 54 Cb -0.07 -0.67 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 3gmy s PHE 54 CO 0.00 0.05 -0.25 -0.06 0.70 0.00 0.00 175.22 175.66 3gmy s PHE 55 N -1.23 2.36 0.73 0.36 0.40 -1.26 -0.80 117.98 118.53 3gmy s PHE 55 Ca -0.02 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 3gmy s PHE 55 Cb -0.10 -1.30 0.17 0.00 0.51 0.00 0.00 43.02 42.31 3gmy s PHE 55 CO 0.02 0.31 0.89 0.27 0.70 0.00 0.00 175.22 177.41 3gmy n ASN 56 N 1.07 -0.40 0.27 1.36 0.23 -0.38 -4.86 115.26 112.56 3gmy n ASN 56 Ca -0.17 -1.24 0.12 0.00 -0.53 0.00 0.00 54.58 52.75 3gmy n ASN 56 Cb 0.53 -0.71 0.77 0.00 -2.08 0.00 0.00 39.78 38.29 3gmy n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gmy h ALA 57 N -2.02 1.58 -0.21 -2.53 0.00 -1.97 -0.33 119.26 113.78 3gmy h ALA 57 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gmy h ALA 57 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gmy h ALA 57 CO 0.21 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3gmy n ALA 58 N -2.38 2.47 -2.69 0.00 0.00 -1.26 -4.92 120.51 111.74 3gmy n ALA 58 Ca -0.03 -0.38 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 3gmy n ALA 58 Cb 0.14 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.60 3gmy n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gmy n ASP 59 N 0.12 -5.61 -4.68 0.00 8.00 -0.13 -4.96 116.55 109.29 3gmy n ASP 59 Ca 0.08 -0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.09 3gmy n ASP 59 Cb 0.19 -4.54 -0.09 0.00 -0.02 0.00 0.00 41.12 36.66 3gmy n ASP 59 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3gmy s LYS 60 N -5.31 2.86 0.12 -1.24 -0.14 -1.26 -1.01 119.74 113.76 3gmy s LYS 60 Ca 0.15 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 53.92 3gmy s LYS 60 Cb -0.07 -2.71 -0.10 0.00 -1.68 0.00 0.00 37.83 33.27 3gmy s LYS 60 CO 0.19 0.65 1.71 -1.17 -0.76 0.00 0.00 175.35 175.97 3gmy s LEU 61 N -1.30 4.38 0.00 3.17 2.96 -1.26 -1.25 118.68 125.38 3gmy s LEU 61 Ca 0.17 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 3gmy s LEU 61 Cb -0.11 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3gmy s LEU 61 CO 0.07 -0.93 0.27 2.30 -1.32 0.00 0.00 176.35 176.74 3gmy n ILE 62 N 4.50 0.00 -3.65 6.68 -5.35 0.02 -0.72 119.36 120.83 3gmy n ILE 62 Ca 0.16 -0.41 -0.04 0.00 -0.27 0.00 0.00 62.75 62.20 3gmy n ILE 62 Cb 0.39 1.13 -0.06 0.00 -1.74 0.00 0.00 39.64 39.35 3gmy n ILE 62 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3gmy s HIS 63 N -0.27 -1.16 -0.11 4.28 5.04 -1.02 -0.33 115.29 121.71 3gmy s HIS 63 Ca 0.00 2.09 0.03 0.00 -1.54 0.00 0.00 55.06 55.65 3gmy s HIS 63 Cb 0.00 0.66 -0.00 0.00 0.04 0.00 0.00 32.58 33.27 3gmy s HIS 63 CO 0.00 -0.60 -0.23 0.15 -2.34 0.00 0.00 174.74 171.73 3gmy s LYS 64 N 2.60 3.09 0.01 2.88 1.02 -0.60 -1.12 119.74 127.62 3gmy s LYS 64 Ca -0.06 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.11 3gmy s LYS 64 Cb -0.11 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 3gmy s LYS 64 CO -0.18 0.18 -0.12 0.50 -0.92 0.00 0.00 175.35 174.82 3gmy s ARG 65 N 0.36 0.88 0.06 1.68 3.52 -0.22 -1.48 118.95 123.75 3gmy s ARG 65 Ca -0.18 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3gmy s ARG 65 Cb -0.18 -0.85 -0.00 0.00 -1.56 0.00 0.00 34.95 32.36 3gmy s ARG 65 CO 0.08 0.23 0.07 0.00 -0.81 0.00 0.00 175.30 174.87 3gmy n GLN 66 N 2.53 0.10 0.00 5.12 -0.00 -0.42 -0.35 117.38 124.36 3gmy n GLN 66 Ca -0.15 -0.50 0.00 0.00 -0.00 0.00 0.00 57.00 56.34 3gmy n GLN 66 Cb 0.56 0.46 0.00 0.00 -0.00 0.00 0.00 30.24 31.25 3gmy n GLN 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3gmy n GLU 68 N -0.10 0.00 0.06 2.61 1.02 -1.26 -4.65 120.64 118.32 3gmy n GLU 68 Ca 0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3gmy n GLU 68 Cb 0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.38 3gmy n GLU 68 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gmy h LEU 69 N 0.00 0.25 -6.20 -4.62 3.38 -1.94 -3.41 115.31 102.77 3gmy h LEU 69 Ca 0.00 -0.32 -0.58 0.00 0.09 0.00 0.00 57.88 57.07 3gmy h LEU 69 Cb 0.00 -0.08 -0.39 0.00 0.09 0.00 0.00 40.66 40.28 3gmy h LEU 69 CO 0.00 1.26 -1.00 0.49 0.09 0.00 0.00 178.44 179.28 3gmy n PHE 70 N -3.39 -0.17 -1.32 1.13 3.72 -1.26 -4.82 117.46 111.35 3gmy n PHE 70 Ca -0.11 -3.53 -0.31 0.00 -0.05 0.00 0.00 57.45 53.45 3gmy n PHE 70 Cb 1.01 -0.14 0.09 0.00 -0.94 0.00 0.00 39.48 39.50 3gmy n PHE 70 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3gmy s PRO 71 N -0.80 2.31 0.02 -1.08 0.04 -1.26 -4.49 135.00 129.73 3gmy s PRO 71 Ca 0.34 1.21 -0.33 0.00 0.04 0.00 0.00 61.00 62.26 3gmy s PRO 71 Cb 0.11 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.63 3gmy s PRO 71 CO -0.14 -1.61 1.83 0.00 0.04 0.00 0.00 177.00 177.12 3gmy n ALA 72 N -3.37 1.31 0.11 8.56 0.00 -1.26 -4.88 120.51 120.97 3gmy n ALA 72 Ca 0.09 0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.82 3gmy n ALA 72 Cb 0.53 -2.51 0.04 0.00 0.00 0.00 0.00 19.45 17.51 3gmy n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gmy h PRO 73 N 8.64 0.00 -2.71 0.00 0.13 -1.78 -3.38 132.00 132.90 3gmy h PRO 73 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 3gmy h PRO 73 Cb 1.25 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 3gmy h PRO 73 CO 0.94 0.75 -0.79 0.15 -0.23 0.00 0.00 178.00 178.82 3gmy s LYS 74 N -3.14 1.60 -0.10 0.86 -0.14 -0.20 -5.06 119.74 113.56 3gmy s LYS 74 Ca 0.00 -2.63 -0.30 0.00 -1.36 0.00 0.00 55.97 51.69 3gmy s LYS 74 Cb 0.11 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 3gmy s LYS 74 CO 0.78 -1.33 1.43 -2.14 -0.76 0.00 0.00 175.35 173.33 3gmy s PRO 75 N -0.57 4.22 -0.08 -1.68 0.02 -1.26 -3.67 135.00 131.99 3gmy s PRO 75 Ca 0.28 1.91 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 3gmy s PRO 75 Cb -0.02 -3.82 0.04 0.00 0.02 0.00 0.00 34.50 30.73 3gmy s PRO 75 CO -0.17 -0.73 0.17 0.95 -0.33 0.00 0.00 177.00 176.88 3gmy s THR 76 N 3.51 -0.11 0.00 0.99 -4.23 -1.18 -4.09 115.64 110.54 3gmy s THR 76 Ca 0.63 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 3gmy s THR 76 Cb -0.28 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.28 3gmy s THR 76 CO 0.22 0.09 0.00 0.54 -0.54 0.00 0.00 174.62 174.93 3gmy n ARG 78 N 4.48 0.00 -0.02 3.99 1.74 -1.26 -4.93 116.66 120.66 3gmy n ARG 78 Ca -0.21 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.84 3gmy n ARG 78 Cb 0.51 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.16 3gmy n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gmy h LEU 79 N 0.00 0.57 -1.08 0.55 5.85 -1.87 -2.02 115.31 117.30 3gmy h LEU 79 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3gmy h LEU 79 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3gmy h LEU 79 CO 0.00 0.73 0.45 0.00 -0.34 0.00 0.00 178.44 179.28 3gmy h ALA 80 N 1.33 1.30 -0.52 1.25 0.00 -1.98 0.53 119.26 121.17 3gmy h ALA 80 Ca 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3gmy h ALA 80 Cb 0.54 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gmy h ALA 80 CO 0.03 0.58 0.05 1.15 0.00 0.00 0.00 179.25 181.06 3gmy h THR 81 N 1.10 1.26 -0.62 0.00 2.02 -1.81 -2.79 112.91 112.07 3gmy h THR 81 Ca 0.28 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3gmy h THR 81 Cb -0.00 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3gmy h THR 81 CO -0.05 0.36 0.34 0.22 0.37 0.00 0.00 175.52 176.76 3gmy h TYR 82 N 0.76 0.83 0.00 3.16 3.20 -0.59 -1.95 116.97 122.38 3gmy h TYR 82 Ca 0.15 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3gmy h TYR 82 Cb 0.45 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3gmy h TYR 82 CO 0.03 0.58 0.00 0.09 -1.64 0.00 0.00 178.16 177.23 3gmy n ASN 83 N -4.38 0.16 0.18 -2.11 3.02 0.08 -2.30 115.26 109.92 3gmy n ASN 83 Ca 0.06 0.53 0.13 0.00 -0.03 0.00 0.00 54.58 55.27 3gmy n ASN 83 Cb 0.10 -0.57 0.39 0.00 -0.61 0.00 0.00 39.78 39.09 3gmy n ASN 83 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gmy h LYS 84 N 0.00 0.00 -6.55 3.52 1.57 -1.18 -3.46 116.57 110.47 3gmy h LYS 84 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3gmy h LYS 84 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3gmy h LYS 84 CO 0.00 0.00 -0.09 0.95 -0.57 0.00 0.00 179.45 179.74 3gmy s THR 85 N -3.29 4.97 -0.11 -0.16 -4.23 -0.97 -5.01 115.64 106.84 3gmy s THR 85 Ca 0.06 0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.60 3gmy s THR 85 Cb 0.09 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.25 3gmy s THR 85 CO 0.58 -0.32 0.46 -1.58 -0.54 0.00 0.00 174.62 173.22 3gmy s GLN 86 N -3.50 0.68 0.54 3.99 2.00 -1.26 -5.08 119.66 117.03 3gmy s GLN 86 Ca 0.46 0.33 -0.21 0.00 -2.00 0.00 0.00 55.36 53.94 3gmy s GLN 86 Cb -0.11 0.32 -0.06 0.00 0.80 0.00 0.00 33.01 33.97 3gmy s GLN 86 CO 0.29 -0.15 1.20 0.25 -0.50 0.00 0.00 175.29 176.38 3gmy n THR 87 N 2.02 3.58 0.00 -0.34 -2.24 -1.26 -4.83 114.28 111.21 3gmy n THR 87 Ca -0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3gmy n THR 87 Cb 0.57 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 3gmy n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gmy n GLY 88 N 0.97 0.85 3.56 3.38 0.00 0.74 -4.97 105.19 109.72 3gmy n GLY 88 Ca 0.11 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 3gmy n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gmy s THR 90 N -1.87 2.11 0.29 2.61 -4.23 -1.26 -4.62 115.64 108.66 3gmy s THR 90 Ca 0.00 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.36 3gmy s THR 90 Cb 0.00 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.35 3gmy s THR 90 CO 0.00 -0.13 1.94 -0.33 -0.54 0.00 0.00 174.62 175.55 3gmy h GLU 91 N 1.95 1.13 -0.76 3.99 5.08 -1.86 -0.54 114.58 123.57 3gmy h GLU 91 Ca -0.43 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 3gmy h GLU 91 Cb 1.25 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 3gmy h GLU 91 CO 0.74 0.75 0.41 0.00 -1.00 0.00 0.00 179.01 179.91 3gmy h ALA 92 N 1.46 0.98 -0.50 3.43 0.00 -1.99 0.95 119.26 123.60 3gmy h ALA 92 Ca 0.35 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3gmy h ALA 92 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3gmy h ALA 92 CO -0.10 0.50 -0.10 1.96 0.00 0.00 0.00 179.25 181.52 3gmy h GLN 93 N 1.06 0.94 -0.43 0.00 4.20 -1.78 -2.06 115.11 117.04 3gmy h GLN 93 Ca 0.27 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.65 3gmy h GLN 93 Cb 0.05 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3gmy h GLN 93 CO -0.04 1.01 0.25 0.35 -0.67 0.00 0.00 178.83 179.74 3gmy h PHE 94 N 0.80 0.48 0.00 2.96 3.57 -0.63 -2.66 116.94 121.46 3gmy h PHE 94 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3gmy h PHE 94 Cb 0.65 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3gmy h PHE 94 CO 0.05 0.28 0.00 0.91 -2.23 0.00 0.00 178.31 177.31 3gmy n TRP 95 N -4.84 0.67 0.21 0.41 5.03 0.29 -0.82 117.44 118.38 3gmy n TRP 95 Ca 0.02 0.23 0.10 0.00 3.03 0.00 0.00 57.50 60.88 3gmy n TRP 95 Cb 0.06 -0.88 0.25 0.00 -1.03 0.00 0.00 31.31 29.71 3gmy n TRP 95 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3gmy h ALA 96 N 2.45 0.92 0.02 6.99 0.00 -1.03 -3.30 119.26 125.30 3gmy h ALA 96 Ca 0.00 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.42 3gmy h ALA 96 Cb 0.49 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3gmy h ALA 96 CO 0.00 0.20 -2.07 0.00 0.00 0.00 0.00 179.25 177.38 3gmy n ALA 97 N -2.15 1.42 -3.76 0.00 0.00 -0.03 -4.93 120.51 111.06 3gmy n ALA 97 Ca 0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 53.44 52.18 3gmy n ALA 97 Cb 0.54 -0.51 -0.17 0.00 0.00 0.00 0.00 19.45 19.31 3gmy n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gmy s VAL 98 N -2.55 1.62 0.20 0.00 1.01 -0.00 -4.95 120.40 115.73 3gmy s VAL 98 Ca -0.12 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 3gmy s VAL 98 Cb 0.07 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 3gmy s VAL 98 CO 0.80 0.46 1.43 -2.84 0.00 0.00 0.00 175.10 174.95 3gmy s PRO 99 N 1.10 4.29 0.45 2.72 0.02 -1.26 -4.43 135.00 137.88 3gmy s PRO 99 Ca -0.03 2.22 0.11 0.00 0.02 0.00 0.00 61.00 63.31 3gmy s PRO 99 Cb -0.14 -3.16 1.01 0.00 0.02 0.00 0.00 34.50 32.23 3gmy s PRO 99 CO -0.04 -0.43 2.09 1.03 -0.33 0.00 0.00 177.00 179.32 3gmy h SER 100 N 5.78 0.30 0.42 2.53 0.87 -1.95 -1.18 113.55 120.32 3gmy h SER 100 Ca -0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3gmy h SER 100 Cb 1.21 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3gmy h SER 100 CO 0.82 0.22 0.00 0.47 -0.53 0.00 0.00 176.83 177.81 3gmy n ASP 101 N -4.50 0.00 -0.69 6.23 8.00 -1.26 -1.68 116.55 122.66 3gmy n ASP 101 Ca 0.01 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.06 3gmy n ASP 101 Cb 0.09 -0.46 0.35 0.00 -0.02 0.00 0.00 41.12 41.07 3gmy n ASP 101 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3gmy n THR 102 N -1.46 0.21 -4.61 -3.53 5.66 -0.45 -1.04 114.28 109.06 3gmy n THR 102 Ca 0.04 -0.42 -0.27 0.00 -3.05 0.00 0.00 64.05 60.35 3gmy n THR 102 Cb 0.15 0.61 -0.14 0.00 -1.55 0.00 0.00 70.33 69.40 3gmy n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gmy s SER 104 N -1.41 5.65 -0.85 0.00 0.15 0.12 -4.34 113.70 113.02 3gmy s SER 104 Ca 0.09 0.24 -0.25 0.00 0.70 0.00 0.00 55.95 56.73 3gmy s SER 104 Cb -0.09 -1.72 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 3gmy s SER 104 CO 0.03 0.36 1.53 0.00 1.20 0.00 0.00 173.24 176.36 3gmy s ALA 105 N -0.78 2.48 0.06 5.45 0.00 -1.26 -2.05 121.76 125.66 3gmy s ALA 105 Ca 0.12 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 3gmy s ALA 105 Cb -0.12 -4.41 -0.14 0.00 0.00 0.00 0.00 23.12 18.45 3gmy s ALA 105 CO 0.03 -3.74 1.31 1.25 0.00 0.00 0.00 175.76 174.60 3gmy h LEU 106 N 14.20 0.61 -7.13 0.00 5.85 -1.42 -3.43 115.31 123.99 3gmy h LEU 106 Ca -0.04 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 3gmy h LEU 106 Cb 1.04 -0.17 -0.17 0.00 0.37 0.00 0.00 40.66 41.73 3gmy h LEU 106 CO 1.31 1.06 0.09 0.00 -0.34 0.00 0.00 178.44 180.56 3gmy s ALA 107 N -3.99 -1.46 -0.03 1.25 0.00 -1.04 -1.30 121.76 115.18 3gmy s ALA 107 Ca -0.13 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3gmy s ALA 107 Cb 0.06 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.51 3gmy s ALA 107 CO 0.81 -0.48 0.00 -2.00 0.00 0.00 0.00 175.76 174.10 3gmy s GLU 108 N -2.14 0.26 -0.02 0.00 2.56 -0.55 -1.38 118.70 117.43 3gmy s GLU 108 Ca -0.07 0.09 0.02 0.00 0.00 0.00 0.00 54.97 55.01 3gmy s GLU 108 Cb -0.01 -0.45 0.00 0.00 2.00 0.00 0.00 34.13 35.67 3gmy s GLU 108 CO 0.01 -0.14 -0.08 -0.65 -0.56 0.00 0.00 175.26 173.84 3gmy s GLN 109 N 1.02 0.84 -0.63 4.30 -0.21 0.72 -1.56 119.66 124.15 3gmy s GLN 109 Ca -0.10 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.05 3gmy s GLN 109 Cb -0.13 -0.80 0.17 0.00 1.00 0.00 0.00 33.01 33.25 3gmy s GLN 109 CO -0.02 0.11 0.47 0.66 -2.12 0.00 0.00 175.29 174.39 3gmy n TYR 110 N 3.24 2.25 0.24 0.91 4.01 0.55 -1.20 117.16 127.15 3gmy n TYR 110 Ca -0.17 -4.06 0.17 0.00 -0.16 0.00 0.00 57.90 53.68 3gmy n TYR 110 Cb 0.55 -0.41 0.88 0.00 -0.31 0.00 0.00 39.34 40.05 3gmy n TYR 110 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gmy h PRO 111 N 5.37 0.00 -0.38 -0.72 0.11 -1.76 -1.95 132.00 132.67 3gmy h PRO 111 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3gmy h PRO 111 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3gmy h PRO 111 CO 0.64 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 3gmy n ASN 112 N -3.68 3.74 -4.57 -2.05 4.13 -1.26 -4.96 115.26 106.60 3gmy n ASN 112 Ca 0.00 -2.51 -0.50 0.00 1.68 0.00 0.00 54.58 53.25 3gmy n ASN 112 Cb 0.27 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 38.02 3gmy n ASN 112 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 3gmy n TRP 113 N 0.24 1.30 1.67 3.10 -0.00 -0.73 -1.03 117.44 121.98 3gmy n TRP 113 Ca 0.19 0.69 0.10 0.00 -0.00 0.00 0.00 57.50 58.48 3gmy n TRP 113 Cb 0.72 -2.28 0.49 0.00 -0.00 0.00 0.00 31.31 30.24 3gmy n TRP 113 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3gmy n PRO 114 N 1.97 1.32 -2.65 5.87 -0.04 -1.26 -5.02 135.00 135.19 3gmy n PRO 114 Ca 0.16 -0.47 -0.33 0.00 -0.04 0.00 0.00 63.50 62.82 3gmy n PRO 114 Cb 0.22 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 3gmy n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gmy s ALA 115 N -1.92 3.00 -1.96 0.55 0.00 -0.20 -4.99 121.76 116.23 3gmy s ALA 115 Ca 0.31 0.40 0.17 0.00 0.00 0.00 0.00 51.96 52.83 3gmy s ALA 115 Cb 0.15 -3.17 0.20 0.00 0.00 0.00 0.00 23.12 20.30 3gmy s ALA 115 CO 0.24 -0.07 1.10 0.25 0.00 0.00 0.00 175.76 177.28 3gmy n THR 116 N -0.95 0.19 -1.79 0.00 -2.24 -1.26 -4.20 114.28 104.04 3gmy n THR 116 Ca 0.07 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 60.94 3gmy n THR 116 Cb 0.54 1.19 0.03 0.00 -2.10 0.00 0.00 70.33 69.98 3gmy n THR 116 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gmy s ASN 117 N -1.32 5.70 -0.43 3.42 4.22 -1.26 -3.83 114.94 121.44 3gmy s ASN 117 Ca 0.23 1.62 0.00 0.00 -2.14 0.00 0.00 52.86 52.57 3gmy s ASN 117 Cb 0.15 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 40.18 3gmy s ASN 117 CO 0.22 -1.22 0.00 0.61 -2.04 0.00 0.00 177.10 174.66 3gmy n GLY 118 N -1.86 0.55 3.70 0.45 0.00 -1.26 -4.40 105.19 102.37 3gmy n GLY 118 Ca 0.07 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 3gmy n GLY 118 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gmy s ASN 119 N -2.91 6.61 -0.13 1.61 2.47 -1.25 -4.37 114.94 116.98 3gmy s ASN 119 Ca 0.00 2.51 -0.02 0.00 0.42 0.00 0.00 52.86 55.77 3gmy s ASN 119 Cb 0.00 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 3gmy s ASN 119 CO 0.00 -0.85 -0.06 -0.76 -3.72 0.00 0.00 177.10 171.71 3gmy s LEU 120 N 2.05 3.12 -0.11 3.21 1.43 -0.34 -0.62 118.68 127.43 3gmy s LEU 120 Ca 0.72 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3gmy s LEU 120 Cb -0.41 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3gmy s LEU 120 CO 0.32 0.22 -0.08 -0.60 0.23 0.00 0.00 176.35 176.43 3gmy s ARG 121 N 0.08 1.50 -0.05 1.70 3.52 -0.01 -0.20 118.95 125.48 3gmy s ARG 121 Ca -0.02 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.38 3gmy s ARG 121 Cb -0.14 -1.54 -0.02 0.00 -1.56 0.00 0.00 34.95 31.70 3gmy s ARG 121 CO 0.03 -0.24 -0.21 -1.21 -0.81 0.00 0.00 175.30 172.87 3gmy s GLU 122 N 1.61 2.48 0.03 5.12 2.02 -0.48 -0.51 118.70 128.97 3gmy s GLU 122 Ca 0.03 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.26 3gmy s GLU 122 Cb -0.13 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3gmy s GLU 122 CO -0.07 0.50 -0.18 0.71 0.02 0.00 0.00 175.26 176.25 3gmy s TYR 123 N -0.44 1.56 -0.12 1.61 2.02 0.04 -1.19 117.35 120.82 3gmy s TYR 123 Ca 0.05 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3gmy s TYR 123 Cb -0.12 -0.95 -0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3gmy s TYR 123 CO 0.01 0.04 -0.19 0.08 -1.57 0.00 0.00 175.55 173.93 3gmy s VAL 124 N -0.70 2.48 -0.37 0.71 1.01 -0.87 -1.08 120.40 121.59 3gmy s VAL 124 Ca 0.06 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3gmy s VAL 124 Cb -0.08 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.40 3gmy s VAL 124 CO 0.01 0.54 0.11 0.00 0.00 0.00 0.00 175.10 175.75 3gmy s PRO 126 N 0.83 3.12 0.08 0.00 0.04 -1.19 -1.60 135.00 136.29 3gmy s PRO 126 Ca 0.12 0.29 0.23 0.00 0.04 0.00 0.00 61.00 61.68 3gmy s PRO 126 Cb -0.20 -2.18 0.14 0.00 0.04 0.00 0.00 34.50 32.29 3gmy s PRO 126 CO -0.10 -0.69 1.12 -1.13 0.04 0.00 0.00 177.00 176.24 3gmy n SER 127 N -2.68 0.64 -3.79 6.66 3.41 -0.18 -3.10 113.62 114.58 3gmy n SER 127 Ca 0.05 -0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 3gmy n SER 127 Cb 0.56 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 3gmy n SER 127 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3gmy s LYS 128 N -3.20 1.60 0.28 4.33 -2.85 -1.26 -3.90 119.74 114.75 3gmy s LYS 128 Ca 0.04 -0.93 0.24 0.00 -1.00 0.00 0.00 55.97 54.32 3gmy s LYS 128 Cb 0.14 0.57 0.37 0.00 -2.06 0.00 0.00 37.83 36.85 3gmy s LYS 128 CO 0.78 -0.71 1.48 0.00 0.10 0.00 0.00 175.35 176.99 3gmy h ALA 129 N 2.08 0.82 -2.97 0.59 0.00 -1.93 -3.44 119.26 114.41 3gmy h ALA 129 Ca -0.24 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 3gmy h ALA 129 Cb 1.26 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.20 3gmy h ALA 129 CO 0.30 0.00 0.43 -0.85 0.00 0.00 0.00 179.25 179.13 3gmy n GLU 130 N -2.65 1.30 -1.81 0.00 0.28 -1.26 -4.93 120.64 111.57 3gmy n GLU 130 Ca 0.03 0.49 -0.39 0.00 -0.16 0.00 0.00 57.16 57.13 3gmy n GLU 130 Cb 0.50 -2.44 0.02 0.00 1.43 0.00 0.00 31.44 30.95 3gmy n GLU 130 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3gmy s ARG 131 N -2.96 3.53 -1.56 3.44 0.52 -1.26 -2.76 118.95 117.89 3gmy s ARG 131 Ca 0.76 2.35 -0.02 0.00 -0.52 0.00 0.00 55.73 58.30 3gmy s ARG 131 Cb -0.41 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.52 3gmy s ARG 131 CO 0.46 -0.92 0.27 1.19 0.02 0.00 0.00 175.30 176.32 3gmy n PHE 132 N -0.43 -1.35 -2.13 -0.53 3.72 -1.26 -4.98 117.46 110.50 3gmy n PHE 132 Ca 0.07 0.23 -0.36 0.00 -0.05 0.00 0.00 57.45 57.34 3gmy n PHE 132 Cb 0.43 -4.00 0.02 0.00 -0.94 0.00 0.00 39.48 34.98 3gmy n PHE 132 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gmy s ALA 133 N -3.05 2.63 0.37 4.37 0.00 -1.11 -4.95 121.76 120.01 3gmy s ALA 133 Ca 0.13 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 52.76 3gmy s ALA 133 Cb -0.06 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 3gmy s ALA 133 CO 0.16 -0.98 1.19 -2.30 0.00 0.00 0.00 175.76 173.84 3gmy n PRO 134 N -1.42 1.83 -3.90 0.00 -0.02 -1.26 -4.69 135.00 125.53 3gmy n PRO 134 Ca 0.13 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3gmy n PRO 134 Cb 0.50 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 3gmy n PRO 134 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gmy s SER 135 N -0.47 0.18 0.08 2.55 0.01 -1.24 -1.02 113.70 113.79 3gmy s SER 135 Ca 0.59 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.17 3gmy s SER 135 Cb -0.57 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 3gmy s SER 135 CO 0.60 -0.68 0.15 0.00 0.41 0.00 0.00 173.24 173.72 3gmy s ALA 136 N -3.71 3.79 -0.06 1.44 0.00 -0.63 -2.92 121.76 119.68 3gmy s ALA 136 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.10 3gmy s ALA 136 Cb 0.05 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 3gmy s ALA 136 CO -0.10 0.76 -0.20 0.71 0.00 0.00 0.00 175.76 176.93 3gmy s TYR 137 N -1.48 2.10 -0.01 0.00 1.51 0.28 -0.36 117.35 119.38 3gmy s TYR 137 Ca 0.32 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3gmy s TYR 137 Cb -0.12 -1.41 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3gmy s TYR 137 CO 0.25 -0.26 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.29 3gmy s PHE 138 N 0.14 0.75 -0.10 2.71 0.08 -0.24 -1.39 117.98 119.93 3gmy s PHE 138 Ca -0.09 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 56.84 3gmy s PHE 138 Cb -0.14 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 3gmy s PHE 138 CO 0.05 -0.04 -0.19 0.99 -0.10 0.00 0.00 175.22 175.93 3gmy s THR 139 N -0.04 1.69 -0.14 0.64 2.01 -0.59 -0.78 115.64 118.43 3gmy s THR 139 Ca 0.01 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 3gmy s THR 139 Cb -0.05 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 3gmy s THR 139 CO -0.00 0.48 0.20 -0.36 -0.69 0.00 0.00 174.62 174.25 3gmy s PHE 140 N 0.61 3.53 -0.25 4.92 0.08 0.33 -0.99 117.98 126.22 3gmy s PHE 140 Ca -0.14 0.54 -0.06 0.00 0.12 0.00 0.00 56.93 57.39 3gmy s PHE 140 Cb -0.17 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 3gmy s PHE 140 CO 0.04 0.50 0.03 0.99 -0.10 0.00 0.00 175.22 176.69 3gmy s THR 141 N -0.34 3.89 -1.75 0.64 2.01 -0.13 -0.83 115.64 119.13 3gmy s THR 141 Ca 0.14 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.54 3gmy s THR 141 Cb -0.12 -2.86 0.17 0.00 0.01 0.00 0.00 72.50 69.69 3gmy s THR 141 CO 0.03 0.29 0.59 0.47 -0.69 0.00 0.00 174.62 175.31 3gmy n ASP 142 N 4.86 -1.95 0.00 3.53 8.00 0.21 -1.89 116.55 129.32 3gmy n ASP 142 Ca -0.16 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3gmy n ASP 142 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 3gmy n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gmy n GLY 143 N -1.43 0.74 3.31 0.44 0.00 -1.26 -5.04 105.19 101.96 3gmy n GLY 143 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3gmy n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gmy s LYS 144 N -0.56 2.56 -0.17 1.61 -0.14 -0.79 -2.28 119.74 119.98 3gmy s LYS 144 Ca 0.00 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 3gmy s LYS 144 Cb 0.00 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 3gmy s LYS 144 CO 0.00 0.43 1.47 -1.17 -0.76 0.00 0.00 175.35 175.32 3gmy s LEU 145 N -0.26 4.10 -0.00 3.17 2.96 -1.26 -0.95 118.68 126.43 3gmy s LEU 145 Ca -0.00 1.76 0.03 0.00 -0.22 0.00 0.00 54.13 55.70 3gmy s LEU 145 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3gmy s LEU 145 CO 0.03 -0.99 0.12 0.35 -1.32 0.00 0.00 176.35 174.54 3gmy n THR 146 N 5.80 0.00 -3.85 3.68 -2.24 -0.16 -0.19 114.28 117.33 3gmy n THR 146 Ca 0.16 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3gmy n THR 146 Cb 0.45 0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 69.29 3gmy n THR 146 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gmy s SER 147 N -1.78 -0.04 -0.07 3.42 0.01 -0.92 -4.98 113.70 109.34 3gmy s SER 147 Ca 0.00 0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.30 3gmy s SER 147 Cb 0.02 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.35 3gmy s SER 147 CO 0.14 -0.03 0.18 0.00 0.41 0.00 0.00 173.24 173.94 3gmy s ARG 148 N 0.15 0.18 0.17 12.44 1.70 -1.26 -1.55 118.95 130.79 3gmy s ARG 148 Ca -0.01 0.30 -0.18 0.00 -0.47 0.00 0.00 55.73 55.37 3gmy s ARG 148 Cb -0.02 0.03 0.03 0.00 -0.57 0.00 0.00 34.95 34.42 3gmy s ARG 148 CO -0.00 -0.06 0.50 -1.54 -1.08 0.00 0.00 175.30 173.11 3gmy s SER 149 N 0.41 -0.28 0.15 -2.89 1.04 -0.49 -5.00 113.70 106.64 3gmy s SER 149 Ca -0.03 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 3gmy s SER 149 Cb -0.04 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3gmy s SER 149 CO -0.02 -0.99 0.42 0.00 0.98 0.00 0.00 173.24 173.62 3gmy s GLN 150 N -3.85 1.17 0.00 4.02 1.03 -1.26 -0.56 119.66 120.22 3gmy s GLN 150 Ca 0.07 -0.83 -0.00 0.00 0.04 0.00 0.00 55.36 54.64 3gmy s GLN 150 Cb -0.00 0.47 -0.00 0.00 0.03 0.00 0.00 33.01 33.50 3gmy s GLN 150 CO -0.06 -0.47 -0.00 -1.54 -2.54 0.00 0.00 175.29 170.68 3gmy s SER 151 N -2.85 0.05 -1.53 12.60 1.04 -1.15 -4.94 113.70 116.93 3gmy s SER 151 Ca 0.07 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3gmy s SER 151 Cb 0.01 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3gmy s SER 151 CO -0.07 -0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.08 3gmy n GLN 152 N 2.74 -1.52 -2.20 4.02 1.13 -1.26 -3.70 117.38 116.59 3gmy n GLN 152 Ca -0.15 0.85 -0.39 0.00 -1.94 0.00 0.00 57.00 55.38 3gmy n GLN 152 Cb 0.59 -5.22 -0.02 0.00 0.11 0.00 0.00 30.24 25.70 3gmy n GLN 152 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3gmy s LEU 153 N -4.46 4.24 0.00 1.08 1.43 -1.26 -4.79 118.68 114.92 3gmy s LEU 153 Ca 0.00 2.48 0.28 0.00 -1.03 0.00 0.00 54.13 55.87 3gmy s LEU 153 Cb 0.00 -3.92 1.15 0.00 0.03 0.00 0.00 46.19 43.44 3gmy s LEU 153 CO 0.00 -0.70 1.80 -0.81 0.23 0.00 0.00 176.35 176.87