#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgg s ASN 10 N 0.00 7.28 0.23 1.67 2.47 -1.26 -5.05 114.94 120.28 3cgg s ASN 10 Ca 0.00 2.18 -0.16 0.00 0.42 0.00 0.00 52.86 55.31 3cgg s ASN 10 Cb 0.00 -2.62 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 3cgg s ASN 10 CO 0.00 -0.17 0.53 0.54 -3.72 0.00 0.00 177.10 174.28 3cgg s ASN 11 N -0.54 -0.18 0.00 -4.21 2.20 -1.26 -5.07 114.94 105.88 3cgg s ASN 11 Ca 0.47 -0.71 0.15 0.00 -0.94 0.00 0.00 52.86 51.83 3cgg s ASN 11 Cb -0.31 0.60 0.72 0.00 -2.00 0.00 0.00 41.25 40.27 3cgg s ASN 11 CO 0.38 -1.14 1.44 -0.81 -2.94 0.00 0.00 177.10 174.03 3cgg n PRO 12 N -0.37 0.14 0.00 3.55 -0.04 -1.26 -1.62 135.00 135.39 3cgg n PRO 12 Ca -0.05 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 3cgg n PRO 12 Cb 0.62 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.16 3cgg n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cgg n ALA 13 N -1.36 2.22 1.01 0.55 0.00 -1.26 -3.48 120.51 118.19 3cgg n ALA 13 Ca 0.06 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3cgg n ALA 13 Cb 0.14 -1.42 0.30 0.00 0.00 0.00 0.00 19.45 18.48 3cgg n ALA 13 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3cgg n HIS 14 N -1.42 0.00 -2.11 0.00 8.25 -0.64 -4.99 115.22 114.31 3cgg n HIS 14 Ca 0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.27 3cgg n HIS 14 Cb 0.26 -0.28 0.06 0.00 1.12 0.00 0.00 29.99 31.15 3cgg n HIS 14 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3cgg s SER 15 N -2.98 5.12 0.06 0.41 1.04 -1.23 -5.03 113.70 111.10 3cgg s SER 15 Ca 0.12 0.76 -0.22 0.00 0.48 0.00 0.00 55.95 57.10 3cgg s SER 15 Cb 0.18 -1.51 -0.06 0.00 0.10 0.00 0.00 66.02 64.72 3cgg s SER 15 CO 0.67 -1.45 0.65 -1.61 0.98 0.00 0.00 173.24 172.48 3cgg s GLU 16 N -5.28 4.35 0.80 4.02 2.02 -1.26 -5.07 118.70 118.28 3cgg s GLU 16 Ca 0.58 0.87 -0.13 0.00 0.02 0.00 0.00 54.97 56.31 3cgg s GLU 16 Cb -0.11 -3.29 0.19 0.00 0.10 0.00 0.00 34.13 31.02 3cgg s GLU 16 CO 0.47 0.49 1.00 0.27 0.02 0.00 0.00 175.26 177.51 3cgg n ASN 17 N 2.16 -0.28 -0.04 -0.19 0.23 -1.26 -4.72 115.26 111.15 3cgg n ASN 17 Ca -0.07 -1.31 -0.09 0.00 -0.53 0.00 0.00 54.58 52.58 3cgg n ASN 17 Cb 0.50 -0.79 -0.03 0.00 -2.08 0.00 0.00 39.78 37.39 3cgg n ASN 17 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3cgg h TYR 18 N -1.76 0.15 -0.20 -2.53 3.20 -1.99 -0.41 116.97 113.43 3cgg h TYR 18 Ca -0.33 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.57 3cgg h TYR 18 Cb 0.93 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3cgg h TYR 18 CO 0.00 0.08 0.06 0.00 -1.64 0.00 0.00 178.16 176.66 3cgg h ALA 19 N 1.12 0.22 -0.08 1.82 0.00 -2.00 -2.30 119.26 118.03 3cgg h ALA 19 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3cgg h ALA 19 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3cgg h ALA 19 CO -0.08 -0.37 0.02 1.96 0.00 0.00 0.00 179.25 180.78 3cgg h GLN 20 N 0.14 0.13 -0.36 0.00 4.20 -1.85 -0.31 115.11 117.07 3cgg h GLN 20 Ca 0.09 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.84 3cgg h GLN 20 Cb 0.07 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.75 3cgg h GLN 20 CO -0.10 0.33 -0.36 0.00 -0.67 0.00 0.00 178.83 178.02 3cgg h ARG 21 N -0.09 -0.30 0.19 1.46 3.08 -1.05 0.23 114.38 117.89 3cgg h ARG 21 Ca 0.02 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3cgg h ARG 21 Cb 0.26 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3cgg h ARG 21 CO 0.00 -0.20 -0.24 2.35 -1.07 0.00 0.00 179.97 180.81 3cgg h TRP 22 N -0.31 -0.64 -0.61 3.04 7.01 -1.10 -1.46 115.95 121.89 3cgg h TRP 22 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 3cgg h TRP 22 Cb 0.56 0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 3cgg h TRP 22 CO -0.55 -0.35 0.38 -0.09 -2.79 0.00 0.00 178.44 175.04 3cgg h ARG 23 N -0.48 0.82 -0.53 2.65 1.12 -0.76 -1.85 114.38 115.35 3cgg h ARG 23 Ca 0.01 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 3cgg h ARG 23 Cb 0.47 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 3cgg h ARG 23 CO -0.09 0.58 0.15 -0.91 -3.11 0.00 0.00 179.97 176.59 3cgg h ASN 24 N 0.83 0.75 0.16 -3.80 2.35 -0.40 -0.10 115.58 115.37 3cgg h ASN 24 Ca 0.22 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3cgg h ASN 24 Cb -0.04 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3cgg h ASN 24 CO -0.04 0.72 -0.07 0.25 -1.65 0.00 0.00 177.43 176.63 3cgg h LEU 25 N 0.78 -0.18 -1.29 1.61 5.85 -1.00 -0.20 115.31 120.88 3cgg h LEU 25 Ca 0.18 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3cgg h LEU 25 Cb 0.26 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3cgg h LEU 25 CO -0.01 0.28 0.55 0.00 -0.34 0.00 0.00 178.44 178.93 3cgg h ALA 26 N 0.02 1.76 0.00 1.25 0.00 -1.27 -2.01 119.26 119.01 3cgg h ALA 26 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3cgg h ALA 26 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3cgg h ALA 26 CO 0.03 0.05 -0.87 0.00 0.00 0.00 0.00 179.25 178.46 3cgg h ALA 27 N 1.59 0.55 -0.75 0.00 0.00 -0.99 -3.26 119.26 116.39 3cgg h ALA 27 Ca 0.41 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3cgg h ALA 27 Cb 0.53 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3cgg h ALA 27 CO -0.17 1.09 0.23 0.00 0.00 0.00 0.00 179.25 180.39 3cgg h ALA 28 N 1.13 0.98 -4.74 0.00 0.00 -0.28 -3.47 119.26 112.88 3cgg h ALA 28 Ca -0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 54.91 54.26 3cgg h ALA 28 Cb 1.56 -0.29 0.06 0.00 0.00 0.00 0.00 17.79 19.11 3cgg h ALA 28 CO 0.11 0.67 -0.62 0.41 0.00 0.00 0.00 179.25 179.83 3cgg n GLY 29 N -0.74 -0.52 3.86 0.00 0.00 -1.04 -4.99 105.19 101.75 3cgg n GLY 29 Ca 0.06 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3cgg n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cgg s ASN 30 N -2.78 6.71 -1.19 1.61 0.01 -1.26 -4.98 114.94 113.05 3cgg s ASN 30 Ca 0.35 1.09 -0.20 0.00 -0.71 0.00 0.00 52.86 53.39 3cgg s ASN 30 Cb -0.16 -2.29 0.05 0.00 0.41 0.00 0.00 41.25 39.26 3cgg s ASN 30 CO 0.43 -0.12 1.67 -0.62 -1.51 0.00 0.00 177.10 176.95 3cgg s ASP 31 N -2.28 6.56 0.00 -1.22 2.15 -1.26 -4.72 116.67 115.90 3cgg s ASP 31 Ca 0.50 -2.03 0.15 0.00 0.43 0.00 0.00 52.55 51.59 3cgg s ASP 31 Cb -0.11 -2.58 0.22 0.00 -0.30 0.00 0.00 42.92 40.15 3cgg s ASP 31 CO 0.19 -1.45 1.10 2.30 -0.17 0.00 0.00 175.17 177.14 3cgg n ILE 32 N 6.69 0.35 -0.31 4.11 -5.35 -1.26 -4.62 119.36 118.98 3cgg n ILE 32 Ca 0.43 -0.68 0.06 0.00 -0.27 0.00 0.00 62.75 62.30 3cgg n ILE 32 Cb 0.48 1.02 0.16 0.00 -1.74 0.00 0.00 39.64 39.56 3cgg n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3cgg n TYR 33 N 0.84 0.52 -0.21 4.28 4.01 -1.26 -4.69 117.16 120.65 3cgg n TYR 33 Ca 0.11 -0.57 0.02 0.00 -0.16 0.00 0.00 57.90 57.30 3cgg n TYR 33 Cb 0.41 -0.08 0.12 0.00 -0.31 0.00 0.00 39.34 39.49 3cgg n TYR 33 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3cgg h GLY 34 N 1.88 0.80 1.05 2.72 0.00 -1.99 0.85 103.07 108.38 3cgg h GLY 34 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3cgg h GLY 34 CO 0.04 -0.15 -0.12 0.83 0.00 0.00 0.00 176.54 177.14 3cgg h GLU 35 N 0.23 0.92 -0.39 4.80 3.07 -1.90 -2.65 114.58 118.65 3cgg h GLU 35 Ca 0.34 -0.35 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 3cgg h GLU 35 Cb 0.53 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 3cgg h GLU 35 CO -0.45 1.01 0.00 0.00 -1.40 0.00 0.00 179.01 178.17 3cgg h ALA 36 N 0.88 1.27 -0.69 3.43 0.00 -1.63 -2.68 119.26 119.84 3cgg h ALA 36 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3cgg h ALA 36 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3cgg h ALA 36 CO 0.05 0.49 0.29 0.00 0.00 0.00 0.00 179.25 180.08 3cgg h ARG 37 N 0.60 1.02 -0.08 0.00 3.08 -0.53 -0.18 114.38 118.28 3cgg h ARG 37 Ca 0.12 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3cgg h ARG 37 Cb 0.38 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3cgg h ARG 37 CO 0.01 0.84 0.02 1.25 -1.07 0.00 0.00 179.97 181.03 3cgg h LEU 38 N 0.97 0.12 -0.70 3.04 5.85 -1.26 -0.34 115.31 122.99 3cgg h LEU 38 Ca 0.23 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3cgg h LEU 38 Cb 0.19 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3cgg h LEU 38 CO -0.02 0.29 0.47 0.40 -0.34 0.00 0.00 178.44 179.24 3cgg h ILE 39 N -0.06 1.18 -0.78 4.05 1.08 -1.36 -2.02 117.51 119.61 3cgg h ILE 39 Ca 0.03 -0.33 0.06 0.00 -0.39 0.00 0.00 64.86 64.23 3cgg h ILE 39 Cb 0.22 0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 34.05 3cgg h ILE 39 CO -0.00 0.18 0.46 -0.78 -0.69 0.00 0.00 178.15 177.32 3cgg h ASP 40 N 0.96 0.70 0.00 1.72 3.58 -0.80 -1.47 116.42 121.10 3cgg h ASP 40 Ca 0.26 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3cgg h ASP 40 Cb -0.11 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.83 3cgg h ASP 40 CO -0.06 0.44 0.00 0.00 -2.88 0.00 0.00 179.24 176.75 3cgg n ALA 41 N -2.36 1.64 -0.79 -0.78 0.00 -0.16 -4.83 120.51 113.25 3cgg n ALA 41 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3cgg n ALA 41 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3cgg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cgg n ALA 43 N 0.77 -1.00 -1.17 0.00 0.00 -0.56 -5.10 120.51 113.45 3cgg n ALA 43 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3cgg n ALA 43 Cb 0.10 -0.39 0.14 0.00 0.00 0.00 0.00 19.45 19.30 3cgg n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cgg s PRO 44 N -2.44 1.16 0.41 0.00 0.04 -1.26 -4.98 135.00 127.92 3cgg s PRO 44 Ca 0.00 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 61.62 3cgg s PRO 44 Cb 0.00 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 3cgg s PRO 44 CO 0.00 -2.31 1.30 1.03 0.04 0.00 0.00 177.00 177.05 3cgg s ARG 45 N -4.91 3.95 -1.59 4.56 1.81 -1.26 -2.76 118.95 118.75 3cgg s ARG 45 Ca 0.64 2.14 -0.03 0.00 -1.72 0.00 0.00 55.73 56.77 3cgg s ARG 45 Cb -0.18 -2.74 0.01 0.00 -0.45 0.00 0.00 34.95 31.58 3cgg s ARG 45 CO 0.57 -0.50 0.28 0.41 -0.68 0.00 0.00 175.30 175.38 3cgg n GLY 46 N 0.66 -0.51 3.72 -3.53 0.00 -1.25 -4.97 105.19 99.32 3cgg n GLY 46 Ca 0.04 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3cgg n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgg s ALA 47 N -3.05 2.03 -0.27 4.61 0.00 -1.11 -4.47 121.76 119.50 3cgg s ALA 47 Ca 0.15 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 3cgg s ALA 47 Cb -0.07 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3cgg s ALA 47 CO 0.19 -1.99 0.27 0.21 0.00 0.00 0.00 175.76 174.44 3cgg s LYS 48 N -4.22 3.99 -0.04 0.00 2.20 -1.26 0.40 119.74 120.81 3cgg s LYS 48 Ca 0.70 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 56.19 3cgg s LYS 48 Cb -0.25 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 3cgg s LYS 48 CO 0.49 -0.21 -0.10 0.42 -0.36 0.00 0.00 175.35 175.59 3cgg s ILE 49 N 1.86 0.91 -0.27 5.43 1.01 0.30 -0.98 121.20 129.46 3cgg s ILE 49 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 3cgg s ILE 49 Cb -0.16 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 3cgg s ILE 49 CO 0.10 0.28 0.17 -0.22 0.00 0.00 0.00 174.94 175.28 3cgg s LEU 50 N 0.32 3.99 -0.66 2.97 2.96 -0.35 -1.25 118.68 126.65 3cgg s LEU 50 Ca -0.06 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.67 3cgg s LEU 50 Cb -0.11 -2.10 0.13 0.00 0.50 0.00 0.00 46.19 44.62 3cgg s LEU 50 CO 0.01 -0.03 0.71 -0.62 -1.32 0.00 0.00 176.35 175.10 3cgg s ASP 51 N 1.61 6.34 -0.23 3.68 -1.08 0.34 -0.82 116.67 126.50 3cgg s ASP 51 Ca 0.07 -1.82 -0.21 0.00 -0.52 0.00 0.00 52.55 50.07 3cgg s ASP 51 Cb -0.15 -2.27 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 3cgg s ASP 51 CO 0.09 -0.95 0.64 0.00 0.52 0.00 0.00 175.17 175.47 3cgg s ALA 52 N 1.94 3.58 -0.90 3.66 0.00 -0.23 -1.45 121.76 128.37 3cgg s ALA 52 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3cgg s ALA 52 Cb -0.21 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 3cgg s ALA 52 CO 0.01 -0.70 0.78 0.41 0.00 0.00 0.00 175.76 176.25 3cgg n GLY 53 N 3.99 -0.71 0.00 0.00 0.00 0.31 -4.33 105.19 104.46 3cgg n GLY 53 Ca -0.01 0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.51 3cgg n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgg n GLY 55 N 1.47 3.34 1.16 0.00 0.00 -1.26 -1.18 105.19 108.73 3cgg n GLY 55 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3cgg n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgg n GLN 56 N 14.00 2.89 -0.38 1.61 10.64 -1.26 -4.17 117.38 140.71 3cgg n GLN 56 Ca 0.00 -1.60 0.00 0.00 -1.83 0.00 0.00 57.00 53.57 3cgg n GLN 56 Cb 0.00 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 3cgg n GLN 56 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3cgg n GLY 57 N 0.41 0.77 0.17 2.61 0.00 -0.32 -3.55 105.19 105.28 3cgg n GLY 57 Ca 0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 3cgg n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cgg h ARG 58 N 0.42 0.24 0.33 1.61 2.43 -1.91 0.49 114.38 117.98 3cgg h ARG 58 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3cgg h ARG 58 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3cgg h ARG 58 CO 0.00 0.16 -0.16 0.82 -1.51 0.00 0.00 179.97 179.28 3cgg h ILE 59 N 0.25 0.00 -0.92 1.20 5.03 -1.90 -2.94 117.51 118.22 3cgg h ILE 59 Ca 0.19 -0.59 0.08 0.00 -0.12 0.00 0.00 64.86 64.42 3cgg h ILE 59 Cb 0.21 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.94 3cgg h ILE 59 CO -0.23 0.00 0.60 1.23 -0.68 0.00 0.00 178.15 179.07 3cgg h GLY 60 N -1.03 1.37 1.00 5.37 0.00 -1.90 -1.25 103.07 106.63 3cgg h GLY 60 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3cgg h GLY 60 CO 0.07 0.27 0.25 -1.33 0.00 0.00 0.00 176.54 175.80 3cgg h GLY 61 N 1.02 0.52 0.73 4.60 0.00 -0.14 -0.05 103.07 109.76 3cgg h GLY 61 Ca 0.41 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.57 3cgg h GLY 61 CO -0.17 0.19 0.06 -1.82 0.00 0.00 0.00 176.54 174.81 3cgg h TYR 62 N 0.50 0.11 -0.54 5.60 5.03 -1.22 -2.34 116.97 124.12 3cgg h TYR 62 Ca 0.14 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 3cgg h TYR 62 Cb -0.06 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 3cgg h TYR 62 CO -0.05 0.04 0.28 -0.07 -1.32 0.00 0.00 178.16 177.04 3cgg h LEU 63 N 0.17 0.67 -1.12 2.82 3.38 -0.93 -1.78 115.31 118.52 3cgg h LEU 63 Ca 0.12 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3cgg h LEU 63 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3cgg h LEU 63 CO -0.14 0.56 -0.28 -1.28 0.09 0.00 0.00 178.44 177.38 3cgg h SER 64 N 0.75 0.26 0.93 -0.43 0.87 -0.64 -1.34 113.55 113.96 3cgg h SER 64 Ca 0.19 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3cgg h SER 64 Cb 0.05 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3cgg h SER 64 CO -0.03 0.55 0.00 0.11 -0.53 0.00 0.00 176.83 176.93 3cgg h LYS 65 N 0.23 0.00 -0.20 2.24 1.57 -0.81 -2.49 116.57 117.12 3cgg h LYS 65 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3cgg h LYS 65 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3cgg h LYS 65 CO 0.05 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.97 3cgg n GLN 66 N -2.60 1.71 -0.31 3.15 1.13 -0.52 -4.92 117.38 115.01 3cgg n GLN 66 Ca 0.02 -1.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.00 3cgg n GLN 66 Cb 0.28 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3cgg n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cgg n GLY 67 N 1.09 0.81 3.87 1.08 0.00 -0.94 -4.77 105.19 106.32 3cgg n GLY 67 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3cgg n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cgg s HIS 68 N -2.13 3.58 -0.56 1.61 3.76 -1.12 -3.86 115.29 116.57 3cgg s HIS 68 Ca 0.00 1.30 -0.19 0.00 -0.15 0.00 0.00 55.06 56.02 3cgg s HIS 68 Cb 0.00 -2.71 0.09 0.00 1.11 0.00 0.00 32.58 31.07 3cgg s HIS 68 CO 0.00 -0.57 0.67 0.34 -0.85 0.00 0.00 174.74 174.33 3cgg s ASP 69 N -3.87 6.19 -0.13 1.40 2.15 0.16 -4.48 116.67 118.10 3cgg s ASP 69 Ca 0.55 -1.29 -0.03 0.00 0.43 0.00 0.00 52.55 52.21 3cgg s ASP 69 Cb -0.11 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 3cgg s ASP 69 CO 0.47 -1.03 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.74 3cgg s VAL 70 N 2.61 4.12 -0.12 1.11 1.01 -1.26 -0.54 120.40 127.33 3cgg s VAL 70 Ca 0.12 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3cgg s VAL 70 Cb -0.23 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3cgg s VAL 70 CO 0.08 0.53 -0.18 -0.22 0.00 0.00 0.00 175.10 175.31 3cgg s LEU 71 N -0.05 2.43 -0.09 3.92 2.96 -0.38 -1.25 118.68 126.23 3cgg s LEU 71 Ca 0.03 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3cgg s LEU 71 Cb -0.13 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3cgg s LEU 71 CO 0.02 0.15 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.24 3cgg s GLY 72 N 0.40 1.54 -0.03 7.98 0.00 0.22 -0.51 107.32 116.94 3cgg s GLY 72 Ca -0.13 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.70 3cgg s GLY 72 CO 0.06 -0.49 -0.18 -1.08 0.00 0.00 0.00 173.10 171.41 3cgg s THR 73 N -0.23 1.44 0.06 0.90 -1.32 -0.53 -0.99 115.64 114.97 3cgg s THR 73 Ca 0.01 -0.75 -0.20 0.00 -1.21 0.00 0.00 61.69 59.54 3cgg s THR 73 Cb -0.13 -1.22 0.04 0.00 -1.51 0.00 0.00 72.50 69.68 3cgg s THR 73 CO 0.03 0.41 0.47 -0.62 -2.21 0.00 0.00 174.62 172.70 3cgg s ASP 74 N -0.20 -0.36 0.13 8.08 -1.08 -1.05 -0.53 116.67 121.67 3cgg s ASP 74 Ca 0.02 0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.35 3cgg s ASP 74 Cb -0.09 0.47 0.74 0.00 -1.46 0.00 0.00 42.92 42.58 3cgg s ASP 74 CO 0.01 -0.72 1.66 0.00 0.52 0.00 0.00 175.17 176.63 3cgg n LEU 75 N 0.34 0.62 -4.53 -1.34 -0.00 -0.84 -0.69 117.00 110.56 3cgg n LEU 75 Ca -0.18 0.43 -0.42 0.00 -0.00 0.00 0.00 56.01 55.84 3cgg n LEU 75 Cb 0.61 -0.31 -0.08 0.00 -0.00 0.00 0.00 43.42 43.64 3cgg n LEU 75 CO 0.19 -0.09 0.27 -0.62 -0.00 0.00 0.00 177.39 177.14 3cgg s ASP 76 N -4.06 6.31 0.40 1.45 -1.08 -1.26 -4.69 116.67 113.73 3cgg s ASP 76 Ca 0.10 -0.22 0.16 0.00 -0.52 0.00 0.00 52.55 52.08 3cgg s ASP 76 Cb 0.14 -2.28 0.86 0.00 -1.46 0.00 0.00 42.92 40.18 3cgg s ASP 76 CO 0.63 -0.60 1.87 1.55 0.52 0.00 0.00 175.17 179.14 3cgg h PRO 77 N 8.63 0.00 -0.32 4.34 0.13 -1.99 -2.42 132.00 140.37 3cgg h PRO 77 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 3cgg h PRO 77 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3cgg h PRO 77 CO 0.82 0.31 -0.41 0.82 -0.23 0.00 0.00 178.00 179.31 3cgg h ILE 78 N 0.00 1.28 -0.04 -3.56 2.04 -1.99 -2.11 117.51 113.13 3cgg h ILE 78 Ca -0.00 -1.59 -0.21 0.00 1.00 0.00 0.00 64.86 64.06 3cgg h ILE 78 Cb 0.61 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3cgg h ILE 78 CO 0.04 0.52 -0.85 -0.07 0.00 0.00 0.00 178.15 177.79 3cgg h LEU 79 N 0.65 0.54 -1.03 1.44 3.38 -1.84 -2.21 115.31 116.25 3cgg h LEU 79 Ca 0.05 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3cgg h LEU 79 Cb 0.98 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3cgg h LEU 79 CO 0.09 1.17 -0.15 0.40 0.09 0.00 0.00 178.44 180.05 3cgg h ILE 80 N 0.27 1.24 -0.62 1.22 1.08 -1.43 -1.25 117.51 118.02 3cgg h ILE 80 Ca -0.06 -1.08 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 3cgg h ILE 80 Cb 1.46 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 36.36 3cgg h ILE 80 CO 0.15 0.35 0.28 -0.78 -0.69 0.00 0.00 178.15 177.47 3cgg h ASP 81 N 0.47 0.83 -0.43 1.72 3.58 -1.19 -0.39 116.42 121.01 3cgg h ASP 81 Ca 0.08 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.39 3cgg h ASP 81 Cb 0.54 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3cgg h ASP 81 CO 0.03 0.74 0.28 1.88 -2.88 0.00 0.00 179.24 179.30 3cgg h TYR 82 N 0.86 0.55 -0.61 0.28 0.05 -0.93 -2.04 116.97 115.13 3cgg h TYR 82 Ca 0.21 0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.09 3cgg h TYR 82 Cb 0.14 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.63 3cgg h TYR 82 CO 0.00 0.35 0.25 0.00 -1.05 0.00 0.00 178.16 177.72 3cgg h ALA 83 N 1.15 0.79 -0.53 3.88 0.00 -1.03 0.19 119.26 123.70 3cgg h ALA 83 Ca 0.16 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3cgg h ALA 83 Cb -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cgg h ALA 83 CO -0.03 -0.15 0.08 0.87 0.00 0.00 0.00 179.25 180.02 3cgg h LYS 84 N 0.46 0.85 -0.28 0.00 1.57 -0.74 0.15 116.57 118.58 3cgg h LYS 84 Ca 0.30 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 3cgg h LYS 84 Cb 0.33 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3cgg h LYS 84 CO -0.27 0.79 -0.57 1.96 -0.57 0.00 0.00 179.45 180.79 3cgg h GLN 85 N 0.81 0.87 0.00 3.15 4.20 -0.91 -3.30 115.11 119.93 3cgg h GLN 85 Ca 0.17 -0.57 -0.22 0.00 0.06 0.00 0.00 58.65 58.09 3cgg h GLN 85 Cb 0.36 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3cgg h GLN 85 CO 0.01 1.20 -1.29 -0.44 -0.67 0.00 0.00 178.83 177.64 3cgg h ASP 86 N 0.66 0.00 -2.14 1.46 3.32 -0.29 -3.40 116.42 116.02 3cgg h ASP 86 Ca 0.01 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 3cgg h ASP 86 Cb 1.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 3cgg h ASP 86 CO 0.13 0.85 -0.92 0.49 -1.72 0.00 0.00 179.24 178.06 3cgg n PHE 87 N -3.12 0.89 0.60 4.55 3.72 0.51 -4.96 117.46 119.65 3cgg n PHE 87 Ca -0.08 -3.74 0.11 0.00 -0.05 0.00 0.00 57.45 53.69 3cgg n PHE 87 Cb 0.94 -0.36 0.45 0.00 -0.94 0.00 0.00 39.48 39.57 3cgg n PHE 87 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3cgg n PRO 88 N 1.42 0.12 0.27 -1.08 -0.04 -1.24 -2.26 135.00 132.19 3cgg n PRO 88 Ca 0.24 0.24 0.16 0.00 -0.04 0.00 0.00 63.50 64.11 3cgg n PRO 88 Cb 0.48 -1.69 0.59 0.00 -0.04 0.00 0.00 33.50 32.84 3cgg n PRO 88 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cgg h GLU 89 N 0.00 0.00 -6.74 0.54 3.07 -1.93 -3.45 114.58 106.07 3cgg h GLU 89 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 3cgg h GLU 89 Cb 0.46 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.41 3cgg h GLU 89 CO 0.00 0.00 -0.06 0.00 -1.40 0.00 0.00 179.01 177.55 3cgg s ALA 90 N -3.58 4.43 0.02 3.43 0.00 -0.96 -4.85 121.76 120.24 3cgg s ALA 90 Ca 0.02 -1.97 0.09 0.00 0.00 0.00 0.00 51.96 50.10 3cgg s ALA 90 Cb 0.08 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 3cgg s ALA 90 CO 0.57 -0.94 -0.26 1.03 0.00 0.00 0.00 175.76 176.15 3cgg s ARG 91 N -4.75 1.94 0.00 0.00 0.52 -0.38 -5.04 118.95 111.25 3cgg s ARG 91 Ca 0.62 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 3cgg s ARG 91 Cb -0.06 -2.01 -0.00 0.00 0.52 0.00 0.00 34.95 33.40 3cgg s ARG 91 CO 0.40 0.53 -0.00 -1.58 0.02 0.00 0.00 175.30 174.67 3cgg s TRP 92 N -0.72 0.04 -0.06 -0.53 0.52 -1.26 -0.61 118.94 116.33 3cgg s TRP 92 Ca 0.11 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 56.07 3cgg s TRP 92 Cb -0.10 -0.03 0.02 0.00 -1.15 0.00 0.00 33.47 32.21 3cgg s TRP 92 CO 0.01 -0.03 0.22 0.54 0.02 0.00 0.00 176.95 177.71 3cgg s VAL 93 N -0.21 0.02 -0.07 4.03 0.11 -0.16 -4.96 120.40 119.17 3cgg s VAL 93 Ca -0.02 -0.19 -0.23 0.00 -2.93 0.00 0.00 61.98 58.60 3cgg s VAL 93 Cb -0.01 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3cgg s VAL 93 CO -0.00 -0.11 0.69 -0.69 -3.33 0.00 0.00 175.10 171.66 3cgg s VAL 94 N -0.34 5.05 -0.23 2.04 1.01 -1.26 -2.53 120.40 124.14 3cgg s VAL 94 Ca -0.04 1.42 -0.34 0.00 0.00 0.00 0.00 61.98 63.01 3cgg s VAL 94 Cb -0.03 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.47 3cgg s VAL 94 CO 0.01 0.26 1.26 -0.83 0.00 0.00 0.00 175.10 175.80 3cgg s GLY 95 N 0.78 -0.20 -0.31 4.51 0.00 0.14 -4.91 107.32 107.33 3cgg s GLY 95 Ca 0.37 1.92 -0.05 0.00 0.00 0.00 0.00 44.72 46.97 3cgg s GLY 95 CO 0.18 0.69 0.05 -0.35 0.00 0.00 0.00 173.10 173.67 3cgg s ASP 96 N -1.86 5.03 0.60 1.64 -1.08 -1.26 -1.99 116.67 117.75 3cgg s ASP 96 Ca 0.09 -1.04 0.34 0.00 -0.52 0.00 0.00 52.55 51.42 3cgg s ASP 96 Cb -0.01 -1.80 1.93 0.00 -1.46 0.00 0.00 42.92 41.58 3cgg s ASP 96 CO -0.04 -0.25 2.25 -0.07 0.52 0.00 0.00 175.17 177.58 3cgg h LEU 97 N 8.14 0.00 -0.67 -1.34 4.07 -1.97 0.35 115.31 123.90 3cgg h LEU 97 Ca -0.26 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.68 3cgg h LEU 97 Cb 1.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 3cgg h LEU 97 CO 0.58 0.02 -0.13 0.77 -1.08 0.00 0.00 178.44 178.60 3cgg h SER 98 N 0.00 0.00 0.00 -0.43 4.64 -1.87 -3.33 113.55 112.56 3cgg h SER 98 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cgg h SER 98 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3cgg h SER 98 CO 0.00 0.13 -0.81 1.33 -0.87 0.00 0.00 176.83 176.61 3cgg n VAL 99 N -3.18 0.00 -3.62 0.95 0.24 -0.63 -4.47 118.33 107.61 3cgg n VAL 99 Ca 0.02 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.92 3cgg n VAL 99 Cb 0.47 -0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 31.96 3cgg n VAL 99 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3cgg s ASP 100 N -2.58 5.65 0.31 -1.34 1.01 0.12 -5.05 116.67 114.79 3cgg s ASP 100 Ca 0.00 -0.82 -0.29 0.00 0.71 0.00 0.00 52.55 52.14 3cgg s ASP 100 Cb 0.00 -2.01 -0.12 0.00 1.01 0.00 0.00 42.92 41.80 3cgg s ASP 100 CO 0.00 -0.31 1.55 1.67 0.21 0.00 0.00 175.17 178.28 3cgg n GLN 101 N 4.99 2.64 -2.44 8.23 7.27 -1.26 -4.43 117.38 132.38 3cgg n GLN 101 Ca -0.13 0.94 -0.43 0.00 0.07 0.00 0.00 57.00 57.45 3cgg n GLN 101 Cb 0.47 -2.69 -0.02 0.00 2.41 0.00 0.00 30.24 30.41 3cgg n GLN 101 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3cgg s ILE 102 N -0.34 4.24 -0.26 1.69 1.01 -1.26 -4.93 121.20 121.36 3cgg s ILE 102 Ca 0.61 1.46 0.19 0.00 0.00 0.00 0.00 60.65 62.91 3cgg s ILE 102 Cb -0.50 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 37.98 3cgg s ILE 102 CO 0.53 -0.30 1.31 0.77 0.00 0.00 0.00 174.94 177.25 3cgg h SER 103 N 8.66 0.00 -3.83 3.58 4.64 -1.98 -3.45 113.55 121.18 3cgg h SER 103 Ca -0.26 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.58 3cgg h SER 103 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3cgg h SER 103 CO 1.00 0.25 0.17 -0.70 -0.87 0.00 0.00 176.83 176.68 3cgg s GLU 104 N -3.12 4.03 0.00 4.77 2.12 -1.26 -5.07 118.70 120.18 3cgg s GLU 104 Ca 0.03 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.13 3cgg s GLU 104 Cb 0.07 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 32.11 3cgg s GLU 104 CO 0.74 0.07 0.00 -2.37 -0.54 0.00 0.00 175.26 173.16 3cgg n THR 105 N -0.59 0.00 -2.77 -1.70 5.66 -1.26 -4.49 114.28 109.12 3cgg n THR 105 Ca 0.04 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.85 3cgg n THR 105 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.34 3cgg n THR 105 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3cgg n ASP 106 N -2.58 -5.57 -4.72 1.09 8.00 -0.97 -4.90 116.55 106.91 3cgg n ASP 106 Ca 0.00 -0.19 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 3cgg n ASP 106 Cb 0.00 -4.47 -0.03 0.00 -0.02 0.00 0.00 41.12 36.60 3cgg n ASP 106 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3cgg s PHE 107 N -3.06 3.40 0.09 1.24 0.08 -0.83 -4.54 117.98 114.35 3cgg s PHE 107 Ca 0.19 1.26 -0.17 0.00 0.12 0.00 0.00 56.93 58.33 3cgg s PHE 107 Cb -0.09 -3.48 -0.08 0.00 -0.57 0.00 0.00 43.02 38.80 3cgg s PHE 107 CO 0.24 -1.49 1.47 -0.44 -0.10 0.00 0.00 175.22 174.91 3cgg h ASP 108 N 6.39 0.54 -4.21 1.36 3.32 -1.40 -0.18 116.42 122.22 3cgg h ASP 108 Ca -0.42 -0.38 -0.41 0.00 0.02 0.00 0.00 57.03 55.83 3cgg h ASP 108 Cb 1.21 -0.15 -0.27 0.00 0.22 0.00 0.00 39.33 40.35 3cgg h ASP 108 CO 0.80 0.79 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.57 3cgg s LEU 109 N -9.29 2.09 -0.11 1.55 1.43 -1.09 -1.14 118.68 112.12 3cgg s LEU 109 Ca -0.13 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3cgg s LEU 109 Cb 0.08 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.79 3cgg s LEU 109 CO 0.77 0.07 -0.14 -0.63 0.23 0.00 0.00 176.35 176.65 3cgg s ILE 110 N -0.54 1.46 -0.12 -0.59 1.01 -0.39 -1.22 121.20 120.81 3cgg s ILE 110 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3cgg s ILE 110 Cb -0.06 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3cgg s ILE 110 CO 0.00 0.43 -0.13 0.54 0.00 0.00 0.00 174.94 175.79 3cgg s VAL 111 N 1.07 3.08 -0.27 2.92 0.11 -0.00 -0.52 120.40 126.78 3cgg s VAL 111 Ca -0.05 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3cgg s VAL 111 Cb -0.15 -2.28 0.05 0.00 -1.53 0.00 0.00 36.38 32.47 3cgg s VAL 111 CO -0.03 0.54 -0.06 -0.55 -3.33 0.00 0.00 175.10 171.67 3cgg s SER 112 N 0.15 4.55 0.00 3.54 0.15 -0.53 -1.06 113.70 120.51 3cgg s SER 112 Ca -0.07 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.38 3cgg s SER 112 Cb -0.15 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 3cgg s SER 112 CO 0.05 -0.20 0.62 0.00 1.20 0.00 0.00 173.24 174.91 3cgg n ALA 113 N 4.57 2.08 -0.28 5.45 0.00 -1.26 -1.45 120.51 129.62 3cgg n ALA 113 Ca -0.14 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 52.77 3cgg n ALA 113 Cb 0.44 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.22 3cgg n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cgg h GLY 114 N 0.00 1.29 -6.04 0.00 0.00 -1.81 -3.47 103.07 93.05 3cgg h GLY 114 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 47.33 46.57 3cgg h GLY 114 CO 0.00 0.15 -0.76 -2.01 0.00 0.00 0.00 176.54 173.91 3cgg n ASN 115 N -4.56 -3.72 -3.83 0.19 5.15 -1.26 -5.12 115.26 102.12 3cgg n ASN 115 Ca 0.17 -0.71 -0.26 0.00 -0.60 0.00 0.00 54.58 53.18 3cgg n ASN 115 Cb 0.39 -4.39 -0.17 0.00 -0.53 0.00 0.00 39.78 35.08 3cgg n ASN 115 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3cgg s VAL 116 N -3.42 0.72 0.00 3.44 -7.23 -1.26 -4.88 120.40 107.77 3cgg s VAL 116 Ca 0.36 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 3cgg s VAL 116 Cb -0.17 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.88 3cgg s VAL 116 CO 0.79 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 176.39 3cgg n GLY 118 N 5.02 0.00 0.05 2.32 0.00 -1.19 -4.19 105.19 107.21 3cgg n GLY 118 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3cgg n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cgg n PHE 119 N -0.49 0.42 -2.84 1.61 3.72 -1.26 -4.78 117.46 113.85 3cgg n PHE 119 Ca 0.00 0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 57.10 3cgg n PHE 119 Cb 0.00 -0.57 -0.04 0.00 -0.94 0.00 0.00 39.48 37.93 3cgg n PHE 119 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3cgg s LEU 120 N -3.91 4.03 0.53 4.37 2.96 -1.26 -5.03 118.68 120.37 3cgg s LEU 120 Ca 0.08 0.66 -0.22 0.00 -0.22 0.00 0.00 54.13 54.42 3cgg s LEU 120 Cb 0.14 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 3cgg s LEU 120 CO 0.70 -0.77 1.35 0.00 -1.32 0.00 0.00 176.35 176.31 3cgg s ALA 121 N 3.30 2.87 0.21 5.97 0.00 -1.26 -4.89 121.76 127.96 3cgg s ALA 121 Ca 0.37 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.53 3cgg s ALA 121 Cb -0.13 -3.55 0.29 0.00 0.00 0.00 0.00 23.12 19.73 3cgg s ALA 121 CO 0.16 -1.30 1.67 1.49 0.00 0.00 0.00 175.76 177.78 3cgg h GLU 122 N 1.59 0.13 0.00 0.00 4.57 -1.97 0.28 114.58 119.17 3cgg h GLU 122 Ca -0.51 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3cgg h GLU 122 Cb 1.29 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3cgg h GLU 122 CO 0.58 0.08 0.00 -0.40 -1.18 0.00 0.00 179.01 178.09 3cgg n ASP 123 N -5.26 0.48 -0.12 1.04 5.68 -1.26 -2.53 116.55 114.57 3cgg n ASP 123 Ca 0.09 0.63 0.13 0.00 -0.50 0.00 0.00 54.79 55.13 3cgg n ASP 123 Cb 0.35 -0.72 0.34 0.00 -1.14 0.00 0.00 41.12 39.94 3cgg n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cgg n GLY 124 N -0.11 -0.94 0.06 6.12 0.00 0.07 -4.53 105.19 105.86 3cgg n GLY 124 Ca 0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3cgg n GLY 124 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cgg h ARG 125 N 0.59 -0.01 0.00 1.61 3.08 -1.37 -0.25 114.38 118.02 3cgg h ARG 125 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cgg h ARG 125 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3cgg h ARG 125 CO 0.00 0.50 -0.00 1.49 -1.07 0.00 0.00 179.97 180.89 3cgg h GLU 126 N -0.53 -0.00 -0.83 0.04 4.81 -1.80 -1.61 114.58 114.66 3cgg h GLU 126 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3cgg h GLU 126 Cb 0.52 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3cgg h GLU 126 CO 0.00 0.07 0.50 -1.35 -0.73 0.00 0.00 179.01 177.50 3cgg h PRO 127 N -0.07 0.85 -0.33 0.92 0.11 -1.79 0.07 132.00 131.76 3cgg h PRO 127 Ca -0.00 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.12 3cgg h PRO 127 Cb 0.07 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 30.93 3cgg h PRO 127 CO 0.00 0.56 -0.07 0.00 -0.21 0.00 0.00 178.00 178.29 3cgg h ALA 128 N 1.42 0.23 -0.19 -0.75 0.00 -0.92 -0.77 119.26 118.28 3cgg h ALA 128 Ca 0.38 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.23 3cgg h ALA 128 Cb 0.25 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3cgg h ALA 128 CO -0.20 -0.45 -0.59 -0.07 0.00 0.00 0.00 179.25 177.94 3cgg h LEU 129 N 0.02 0.69 -1.59 0.00 3.38 -0.81 -2.37 115.31 114.62 3cgg h LEU 129 Ca 0.16 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3cgg h LEU 129 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3cgg h LEU 129 CO -0.32 1.12 0.20 0.00 0.09 0.00 0.00 178.44 179.53 3cgg h ALA 130 N 0.88 1.69 -0.35 1.53 0.00 -0.91 -1.20 119.26 120.90 3cgg h ALA 130 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3cgg h ALA 130 Cb 1.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3cgg h ALA 130 CO 0.11 0.27 0.01 -0.97 0.00 0.00 0.00 179.25 178.67 3cgg h ASN 131 N 0.48 0.60 -0.12 0.00 -0.73 -0.73 -1.17 115.58 113.91 3cgg h ASN 131 Ca 0.13 -0.30 0.02 0.00 1.87 0.00 0.00 56.30 58.01 3cgg h ASN 131 Cb 0.00 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 3cgg h ASN 131 CO -0.02 0.76 -0.00 0.40 -0.37 0.00 0.00 177.43 178.19 3cgg h ILE 132 N 0.43 0.92 -0.47 2.57 1.08 -1.01 -2.47 117.51 118.57 3cgg h ILE 132 Ca 0.10 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.63 3cgg h ILE 132 Cb 0.44 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 3cgg h ILE 132 CO 0.02 0.01 0.12 -0.74 -0.69 0.00 0.00 178.15 176.86 3cgg h HIS 133 N 0.04 0.20 -0.49 1.37 2.76 -1.08 -1.94 115.15 116.01 3cgg h HIS 133 Ca 0.05 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3cgg h HIS 133 Cb 0.07 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3cgg h HIS 133 CO -0.14 0.04 0.06 -0.09 -1.30 0.00 0.00 177.93 176.50 3cgg h ARG 134 N 0.27 0.77 0.00 5.26 2.43 -1.02 -2.63 114.38 119.46 3cgg h ARG 134 Ca 0.23 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3cgg h ARG 134 Cb 0.27 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3cgg h ARG 134 CO -0.27 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 178.93 3cgg h ALA 135 N 1.33 1.00 -2.69 2.80 0.00 -0.96 -3.43 119.26 117.31 3cgg h ALA 135 Ca 0.15 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.55 3cgg h ALA 135 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3cgg h ALA 135 CO 0.01 0.00 0.47 -1.17 0.00 0.00 0.00 179.25 178.56 3cgg s LEU 136 N -5.03 4.51 0.82 0.00 2.96 -0.78 -1.97 118.68 119.19 3cgg s LEU 136 Ca 0.07 2.12 -0.11 0.00 -0.22 0.00 0.00 54.13 55.99 3cgg s LEU 136 Cb 0.10 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.26 3cgg s LEU 136 CO 0.54 -0.19 1.09 -0.83 -1.32 0.00 0.00 176.35 175.64 3cgg s GLY 137 N -0.31 1.66 0.31 7.98 0.00 -0.08 -4.30 107.32 112.58 3cgg s GLY 137 Ca 0.48 0.18 0.06 0.00 0.00 0.00 0.00 44.72 45.44 3cgg s GLY 137 CO 0.36 0.58 1.80 0.00 0.00 0.00 0.00 173.10 175.83 3cgg h ALA 138 N -1.29 1.70 -0.37 3.20 0.00 -1.95 -0.33 119.26 120.21 3cgg h ALA 138 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3cgg h ALA 138 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cgg h ALA 138 CO 0.52 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.49 3cgg n ASP 139 N -4.70 4.36 -4.92 0.00 8.00 -1.26 -4.56 116.55 113.47 3cgg n ASP 139 Ca 0.22 -2.89 -0.27 0.00 0.71 0.00 0.00 54.79 52.56 3cgg n ASP 139 Cb 0.54 -0.56 0.04 0.00 -0.02 0.00 0.00 41.12 41.11 3cgg n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3cgg s GLY 140 N -1.51 1.62 0.04 0.44 0.00 -0.14 -5.01 107.32 102.76 3cgg s GLY 140 Ca 0.45 -0.70 0.07 0.00 0.00 0.00 0.00 44.72 44.54 3cgg s GLY 140 CO 0.12 -0.39 -0.19 0.50 0.00 0.00 0.00 173.10 173.14 3cgg s ARG 141 N -5.05 1.25 -0.15 2.90 0.52 -0.30 -3.99 118.95 114.13 3cgg s ARG 141 Ca 0.55 -0.90 -0.06 0.00 -0.52 0.00 0.00 55.73 54.80 3cgg s ARG 141 Cb -0.11 -1.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.98 3cgg s ARG 141 CO 0.46 0.34 0.06 0.00 0.02 0.00 0.00 175.30 176.18 3cgg s ALA 142 N -0.83 3.46 -0.21 2.13 0.00 -0.53 -1.27 121.76 124.52 3cgg s ALA 142 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3cgg s ALA 142 Cb -0.09 -1.84 0.05 0.00 0.00 0.00 0.00 23.12 21.24 3cgg s ALA 142 CO 0.02 0.33 -0.06 0.08 0.00 0.00 0.00 175.76 176.12 3cgg s VAL 143 N -0.09 1.40 -0.14 0.00 1.01 0.32 -0.35 120.40 122.54 3cgg s VAL 143 Ca 0.07 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3cgg s VAL 143 Cb -0.12 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3cgg s VAL 143 CO 0.01 0.01 -0.15 -0.63 0.00 0.00 0.00 175.10 174.35 3cgg s ILE 144 N 1.48 1.59 -0.12 2.22 1.01 -0.21 -1.45 121.20 125.72 3cgg s ILE 144 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3cgg s ILE 144 Cb -0.17 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.83 3cgg s ILE 144 CO -0.07 0.46 -0.18 -0.83 0.00 0.00 0.00 174.94 174.32 3cgg s GLY 145 N 1.37 1.19 0.16 6.18 0.00 -0.53 -1.18 107.32 114.52 3cgg s GLY 145 Ca 0.03 -0.90 -0.18 0.00 0.00 0.00 0.00 44.72 43.66 3cgg s GLY 145 CO -0.09 0.11 0.49 -0.11 0.00 0.00 0.00 173.10 173.50 3cgg s PHE 146 N 0.90 -0.22 0.34 1.90 -0.71 -0.54 -4.11 117.98 115.54 3cgg s PHE 146 Ca -0.07 -0.09 -0.10 0.00 -1.04 0.00 0.00 56.93 55.63 3cgg s PHE 146 Cb -0.15 0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 41.96 3cgg s PHE 146 CO -0.02 -0.83 0.69 0.20 -1.34 0.00 0.00 175.22 173.93 3cgg s GLY 147 N -2.83 2.06 0.41 1.99 0.00 -1.26 -1.24 107.32 106.46 3cgg s GLY 147 Ca 0.06 -0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.29 3cgg s GLY 147 CO -0.08 -0.05 1.33 0.00 0.00 0.00 0.00 173.10 174.31 3cgg n ALA 148 N -0.86 1.58 -1.31 3.20 0.00 -0.19 -3.00 120.51 119.94 3cgg n ALA 148 Ca 0.02 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 3cgg n ALA 148 Cb 0.54 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 3cgg n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cgg n GLY 149 N 0.71 1.18 1.77 0.00 0.00 -1.26 -4.89 105.19 102.70 3cgg n GLY 149 Ca 0.05 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 3cgg n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cgg n ARG 150 N -2.45 3.20 0.00 1.61 5.12 -1.16 -4.95 116.66 118.03 3cgg n ARG 150 Ca -0.11 -3.97 0.00 0.00 -1.93 0.00 0.00 57.85 51.84 3cgg n ARG 150 Cb 0.38 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 3cgg n ARG 150 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cgg n GLY 151 N -0.80 0.51 3.24 -0.13 0.00 -1.26 -3.15 105.19 103.61 3cgg n GLY 151 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 3cgg n GLY 151 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cgg s TRP 152 N -2.00 -0.75 0.09 1.61 -0.11 -1.26 -4.48 118.94 112.04 3cgg s TRP 152 Ca 0.00 1.45 -0.31 0.00 1.22 0.00 0.00 56.10 58.47 3cgg s TRP 152 Cb 0.00 0.27 -0.07 0.00 -1.50 0.00 0.00 33.47 32.17 3cgg s TRP 152 CO 0.00 -0.46 1.31 0.08 -4.62 0.00 0.00 176.95 173.26 3cgg s VAL 153 N 2.52 3.63 0.23 5.86 1.01 -1.26 -4.69 120.40 127.70 3cgg s VAL 153 Ca -0.02 1.16 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 3cgg s VAL 153 Cb -0.12 -3.75 0.20 0.00 0.00 0.00 0.00 36.38 32.71 3cgg s VAL 153 CO -0.12 0.09 1.87 -0.26 0.00 0.00 0.00 175.10 176.68 3cgg h PHE 154 N 6.84 1.01 -0.70 5.22 0.04 -1.99 -1.43 116.94 125.93 3cgg h PHE 154 Ca -0.42 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.35 3cgg h PHE 154 Cb 1.21 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 3cgg h PHE 154 CO 0.67 0.58 0.34 0.78 -0.60 0.00 0.00 178.31 180.08 3cgg h GLY 155 N 1.05 1.08 0.92 -1.45 0.00 -1.99 -0.91 103.07 101.77 3cgg h GLY 155 Ca 0.33 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3cgg h GLY 155 CO -0.11 0.51 0.02 -1.80 0.00 0.00 0.00 176.54 175.15 3cgg h ASP 156 N 0.98 0.60 -0.41 0.19 3.58 -1.83 -1.87 116.42 117.66 3cgg h ASP 156 Ca 0.24 -0.30 0.07 0.00 0.42 0.00 0.00 57.03 57.47 3cgg h ASP 156 Cb 0.11 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 3cgg h ASP 156 CO -0.03 0.75 0.01 0.15 -2.88 0.00 0.00 179.24 177.24 3cgg h PHE 157 N 0.44 -0.01 -0.08 0.28 3.57 -0.98 0.20 116.94 120.36 3cgg h PHE 157 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3cgg h PHE 157 Cb 0.43 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3cgg h PHE 157 CO 0.03 -0.08 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.68 3cgg h LEU 158 N 0.11 0.14 -0.30 0.59 3.38 -1.09 -0.50 115.31 117.65 3cgg h LEU 158 Ca 0.20 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3cgg h LEU 158 Cb 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3cgg h LEU 158 CO -0.33 0.43 -0.01 -0.08 0.09 0.00 0.00 178.44 178.54 3cgg h GLU 159 N 0.13 0.53 -0.30 1.13 4.81 -0.54 -1.49 114.58 118.86 3cgg h GLU 159 Ca 0.02 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3cgg h GLU 159 Cb 0.58 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3cgg h GLU 159 CO 0.04 0.69 0.06 0.28 -0.73 0.00 0.00 179.01 179.35 3cgg h VAL 160 N 0.32 1.23 0.04 0.32 2.07 -0.70 -1.20 116.25 118.33 3cgg h VAL 160 Ca 0.08 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.84 3cgg h VAL 160 Cb 0.46 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3cgg h VAL 160 CO 0.02 0.26 -0.26 0.00 0.02 0.00 0.00 177.57 177.60 3cgg h ALA 161 N 0.89 -0.39 -0.49 1.67 0.00 -1.08 -2.32 119.26 117.54 3cgg h ALA 161 Ca 0.09 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3cgg h ALA 161 Cb 0.33 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3cgg h ALA 161 CO 0.00 -0.78 0.03 1.49 0.00 0.00 0.00 179.25 180.00 3cgg h GLU 162 N -0.43 0.15 -0.65 0.00 4.57 -1.19 -1.83 114.58 115.20 3cgg h GLU 162 Ca 0.05 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 3cgg h GLU 162 Cb 0.49 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 3cgg h GLU 162 CO -0.20 0.10 0.43 -0.09 -1.18 0.00 0.00 179.01 178.06 3cgg h ARG 163 N 0.15 0.64 -0.00 1.92 2.43 -0.69 -0.40 114.38 118.42 3cgg h ARG 163 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3cgg h ARG 163 Cb 0.36 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3cgg h ARG 163 CO -0.38 0.42 -0.28 1.33 -1.51 0.00 0.00 179.97 179.56 3cgg n VAL 164 N -4.48 0.00 0.00 0.20 0.24 -0.96 -4.94 118.33 108.39 3cgg n VAL 164 Ca 0.09 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3cgg n VAL 164 Cb 0.22 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3cgg n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cgg n GLY 165 N 1.41 1.26 3.60 7.63 0.00 -0.16 -4.89 105.19 114.04 3cgg n GLY 165 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3cgg n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cgg s LEU 166 N 0.00 4.15 -0.30 0.99 1.43 -0.72 0.15 118.68 124.39 3cgg s LEU 166 Ca 0.00 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 3cgg s LEU 166 Cb 0.00 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 3cgg s LEU 166 CO 0.00 -0.49 0.22 -0.70 0.23 0.00 0.00 176.35 175.60 3cgg s GLU 167 N 2.63 3.84 0.06 1.70 2.12 0.03 -3.20 118.70 125.89 3cgg s GLU 167 Ca 0.25 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 3cgg s GLU 167 Cb -0.15 -3.70 -0.09 0.00 0.26 0.00 0.00 34.13 30.45 3cgg s GLU 167 CO 0.12 -0.26 1.92 -1.17 -0.54 0.00 0.00 175.26 175.33 3cgg s LEU 168 N 1.77 4.42 -0.20 2.70 2.96 -1.26 -1.32 118.68 127.75 3cgg s LEU 168 Ca 0.07 2.69 -0.11 0.00 -0.22 0.00 0.00 54.13 56.57 3cgg s LEU 168 Cb -0.16 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.79 3cgg s LEU 168 CO 0.11 -1.04 0.09 1.21 -1.32 0.00 0.00 176.35 175.40 3cgg n GLU 169 N 6.94 0.65 -3.68 1.98 2.13 0.73 -4.92 120.64 124.48 3cgg n GLU 169 Ca 0.19 0.34 -0.08 0.00 0.66 0.00 0.00 57.16 58.27 3cgg n GLU 169 Cb 0.40 -1.65 -0.02 0.00 0.27 0.00 0.00 31.44 30.44 3cgg n GLU 169 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3cgg s ASN 170 N -6.98 -0.35 -0.04 4.31 3.84 -1.17 -5.03 114.94 109.53 3cgg s ASN 170 Ca -0.29 -0.34 -0.06 0.00 0.21 0.00 0.00 52.86 52.38 3cgg s ASN 170 Cb 0.08 0.62 0.01 0.00 -0.55 0.00 0.00 41.25 41.41 3cgg s ASN 170 CO 0.64 -1.09 0.14 0.00 -2.79 0.00 0.00 177.10 174.00 3cgg s ALA 171 N -3.69 -0.35 0.17 1.71 0.00 -1.26 -0.84 121.76 117.51 3cgg s ALA 171 Ca 0.08 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3cgg s ALA 171 Cb -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 3cgg s ALA 171 CO -0.01 -0.10 -0.09 -0.06 0.00 0.00 0.00 175.76 175.49 3cgg s PHE 172 N -0.26 1.40 -2.42 0.00 0.08 0.24 -3.33 117.98 113.68 3cgg s PHE 172 Ca -0.03 -0.75 0.22 0.00 0.12 0.00 0.00 56.93 56.49 3cgg s PHE 172 Cb -0.03 -0.72 0.50 0.00 -0.57 0.00 0.00 43.02 42.21 3cgg s PHE 172 CO 0.00 0.12 1.44 -0.85 -0.10 0.00 0.00 175.22 175.83 3cgg n GLU 173 N -0.27 2.31 -3.52 0.44 0.28 0.48 -0.39 120.64 119.98 3cgg n GLU 173 Ca -0.09 -1.98 -0.10 0.00 -0.16 0.00 0.00 57.16 54.84 3cgg n GLU 173 Cb 0.61 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.98 3cgg n GLU 173 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3cgg s SER 174 N -1.49 -0.45 0.15 -1.84 1.04 -1.25 -4.40 113.70 105.45 3cgg s SER 174 Ca 0.37 -0.09 0.23 0.00 0.48 0.00 0.00 55.95 56.93 3cgg s SER 174 Cb 0.21 0.54 0.90 0.00 0.10 0.00 0.00 66.02 67.77 3cgg s SER 174 CO 0.30 -0.90 1.70 0.79 0.98 0.00 0.00 173.24 176.11 3cgg n TRP 175 N -0.35 0.54 -0.49 5.02 7.02 -1.26 -1.83 117.44 126.08 3cgg n TRP 175 Ca -0.12 0.19 0.07 0.00 -1.02 0.00 0.00 57.50 56.62 3cgg n TRP 175 Cb 0.63 -0.81 0.34 0.00 -2.42 0.00 0.00 31.31 29.05 3cgg n TRP 175 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3cgg n ASP 176 N -1.97 4.69 -1.19 -0.99 5.75 -1.26 -4.65 116.55 116.93 3cgg n ASP 176 Ca 0.04 -2.60 -0.10 0.00 -0.01 0.00 0.00 54.79 52.12 3cgg n ASP 176 Cb 0.28 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3cgg n ASP 176 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3cgg n LEU 177 N 0.76 -1.52 -4.76 -2.12 4.77 -0.76 -5.02 117.00 108.34 3cgg n LEU 177 Ca 0.23 -0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 3cgg n LEU 177 Cb 0.94 -1.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 3cgg n LEU 177 CO 0.25 -0.08 0.82 -0.54 -1.33 0.00 0.00 177.39 176.51 3cgg s LYS 178 N -4.56 4.45 0.36 3.23 1.02 -1.26 -4.93 119.74 118.06 3cgg s LYS 178 Ca 0.01 1.84 -0.28 0.00 0.02 0.00 0.00 55.97 57.57 3cgg s LYS 178 Cb -0.01 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 34.18 3cgg s LYS 178 CO 0.02 0.03 1.33 -2.14 -0.92 0.00 0.00 175.35 173.67 3cgg s PRO 179 N -1.75 4.20 -0.14 -1.68 0.02 -1.26 -0.38 135.00 134.01 3cgg s PRO 179 Ca 0.49 2.25 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 3cgg s PRO 179 Cb -0.32 -2.96 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 3cgg s PRO 179 CO 0.41 -0.33 1.26 0.12 -0.33 0.00 0.00 177.00 178.13 3cgg s PHE 180 N -1.18 2.90 0.33 6.54 2.19 -1.21 -3.94 117.98 123.62 3cgg s PHE 180 Ca 0.52 1.03 0.03 0.00 0.33 0.00 0.00 56.93 58.84 3cgg s PHE 180 Cb -0.40 -3.50 -0.05 0.00 -1.31 0.00 0.00 43.02 37.76 3cgg s PHE 180 CO 0.53 -1.68 0.08 0.14 1.83 0.00 0.00 175.22 176.13 3cgg s VAL 181 N 3.20 0.91 0.21 3.12 -7.23 -1.26 -4.93 120.40 114.43 3cgg s VAL 181 Ca 0.56 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.40 3cgg s VAL 181 Cb -0.23 -2.65 -0.13 0.00 0.56 0.00 0.00 36.38 33.93 3cgg s VAL 181 CO 0.17 0.00 1.48 1.67 -0.31 0.00 0.00 175.10 178.11 3cgg n GLN 182 N -0.70 2.12 -0.97 4.82 0.00 -1.26 -1.47 117.38 119.92 3cgg n GLN 182 Ca -0.03 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.73 3cgg n GLN 182 Cb 0.66 -2.47 0.00 0.00 0.00 0.00 0.00 30.24 28.44 3cgg n GLN 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cgg n GLY 183 N 2.61 0.86 3.67 1.69 0.00 -1.26 -5.01 105.19 107.75 3cgg n GLY 183 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3cgg n GLY 183 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cgg n SER 184 N -0.01 2.69 -1.30 1.61 7.64 -0.54 -4.90 113.62 118.81 3cgg n SER 184 Ca 0.00 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.15 3cgg n SER 184 Cb 0.01 -1.43 0.30 0.00 -1.01 0.00 0.00 64.21 62.07 3cgg n SER 184 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3cgg n GLU 185 N 1.80 2.68 -3.64 1.43 1.02 -1.26 -4.89 120.64 117.79 3cgg n GLU 185 Ca 0.11 -2.57 -0.16 0.00 -0.02 0.00 0.00 57.16 54.52 3cgg n GLU 185 Cb 0.32 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 3cgg n GLU 185 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3cgg s PHE 186 N -1.10 -0.46 -0.07 -0.32 2.19 -1.26 -1.02 117.98 115.94 3cgg s PHE 186 Ca 0.46 0.83 0.01 0.00 0.33 0.00 0.00 56.93 58.56 3cgg s PHE 186 Cb 0.25 0.26 0.02 0.00 -1.31 0.00 0.00 43.02 42.23 3cgg s PHE 186 CO 0.33 -0.48 -0.08 -1.17 1.83 0.00 0.00 175.22 175.65 3cgg s LEU 187 N -1.05 1.36 -0.29 6.12 2.96 -0.37 -4.27 118.68 123.15 3cgg s LEU 187 Ca -0.11 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3cgg s LEU 187 Cb -0.03 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 46.00 3cgg s LEU 187 CO 0.06 -0.05 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.34 3cgg s VAL 188 N 1.11 2.92 -0.14 1.68 1.01 0.48 -1.46 120.40 126.00 3cgg s VAL 188 Ca -0.07 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 3cgg s VAL 188 Cb -0.14 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3cgg s VAL 188 CO -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 175.10 174.98 3cgg s ALA 189 N 1.26 2.84 -0.17 5.51 0.00 -0.32 -0.60 121.76 130.28 3cgg s ALA 189 Ca -0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3cgg s ALA 189 Cb -0.19 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3cgg s ALA 189 CO -0.02 0.24 -0.00 0.08 0.00 0.00 0.00 175.76 176.06 3cgg s VAL 190 N 0.33 4.14 0.02 0.00 1.01 -0.02 -1.05 120.40 124.83 3cgg s VAL 190 Ca -0.07 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3cgg s VAL 190 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3cgg s VAL 190 CO 0.04 0.47 -0.20 -0.36 0.00 0.00 0.00 175.10 175.05 3cgg s PHE 191 N 0.47 1.79 0.39 5.22 0.08 0.52 -0.19 117.98 126.27 3cgg s PHE 191 Ca -0.01 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 56.75 3cgg s PHE 191 Cb -0.14 -1.10 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3cgg s PHE 191 CO 0.02 0.05 0.48 0.95 -0.10 0.00 0.00 175.22 176.61 3cgg s THR 192 N -0.68 3.19 -0.24 0.64 -4.23 -0.44 -1.46 115.64 112.43 3cgg s THR 192 Ca 0.07 -1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 59.29 3cgg s THR 192 Cb -0.08 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 3cgg s THR 192 CO 0.01 -0.05 0.48 -0.75 -0.54 0.00 0.00 174.62 173.77 3cgg s LYS 193 N -4.23 4.11 0.00 3.99 2.20 -1.26 -0.79 119.74 123.77 3cgg s LYS 193 Ca 0.50 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 3cgg s LYS 193 Cb -0.08 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 3cgg s LYS 193 CO 0.31 -0.24 0.00 1.63 -0.36 0.00 0.00 175.35 176.68