#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxg s ASN 23 N 0.00 4.84 0.14 1.61 0.01 -1.26 -5.04 114.94 115.23 3gxg s ASN 23 Ca 0.00 -1.00 -0.31 0.00 -0.71 0.00 0.00 52.86 50.83 3gxg s ASN 23 Cb 0.00 0.00 -0.09 0.00 0.41 0.00 0.00 41.25 41.57 3gxg s ASN 23 CO 0.00 -0.95 1.57 -0.63 -1.51 0.00 0.00 177.10 175.58 3gxg s ILE 24 N -2.64 2.79 -0.15 0.60 -1.09 -1.26 -4.97 121.20 114.47 3gxg s ILE 24 Ca 0.43 0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 59.31 3gxg s ILE 24 Cb -0.03 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3gxg s ILE 24 CO 0.26 0.03 0.01 -1.61 -1.23 0.00 0.00 174.94 172.41 3gxg s GLU 25 N 1.47 3.69 -1.22 2.79 8.01 -1.26 -4.73 118.70 127.46 3gxg s GLU 25 Ca 0.70 -0.42 -0.14 0.00 0.01 0.00 0.00 54.97 55.13 3gxg s GLU 25 Cb -0.42 -3.03 -0.01 0.00 -4.31 0.00 0.00 34.13 26.36 3gxg s GLU 25 CO 0.31 0.34 0.70 0.43 0.01 0.00 0.00 175.26 177.05 3gxg n SER 26 N 3.27 -3.75 0.11 -0.19 7.64 -1.26 -4.83 113.62 114.61 3gxg n SER 26 Ca -0.17 -0.99 0.20 0.00 1.01 0.00 0.00 58.87 58.91 3gxg n SER 26 Cb 0.53 -3.39 0.70 0.00 -1.01 0.00 0.00 64.21 61.03 3gxg n SER 26 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3gxg h ILE 27 N -1.87 0.24 0.00 0.44 2.10 -2.01 0.44 117.51 116.84 3gxg h ILE 27 Ca -0.65 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.29 3gxg h ILE 27 Cb 1.36 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 37.64 3gxg h ILE 27 CO 0.52 0.00 -0.00 1.05 -1.08 0.00 0.00 178.15 178.64 3gxg h GLU 28 N 0.00 0.00 0.00 2.19 9.09 -1.98 -0.13 114.58 123.74 3gxg h GLU 28 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 3gxg h GLU 28 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3gxg h GLU 28 CO -0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 3gxg n ASN 29 N -3.82 0.29 -0.98 3.06 3.02 0.14 -1.64 115.26 115.35 3gxg n ASN 29 Ca -0.03 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.23 3gxg n ASN 29 Cb 0.08 -0.65 0.16 0.00 -0.61 0.00 0.00 39.78 38.77 3gxg n ASN 29 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gxg n LEU 30 N -1.85 3.01 -0.42 3.41 4.77 -0.06 -4.52 117.00 121.34 3gxg n LEU 30 Ca 0.02 -1.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.00 3gxg n LEU 30 Cb 0.13 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 3gxg n LEU 30 CO 0.12 0.55 0.63 0.00 -1.33 0.00 0.00 177.39 177.36 3gxg n GLN 31 N 1.30 2.00 0.00 3.23 6.02 -0.65 -5.09 117.38 124.19 3gxg n GLN 31 Ca 0.16 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 3gxg n GLN 31 Cb 0.58 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.20 3gxg n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gxg n GLY 32 N -1.03 -1.40 3.71 1.08 0.00 -1.26 -4.86 105.19 101.44 3gxg n GLY 32 Ca 0.18 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 3gxg n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gxg s ILE 33 N 0.00 2.70 -0.20 -0.61 1.01 -1.26 -4.89 121.20 117.94 3gxg s ILE 33 Ca 0.00 0.40 -0.40 0.00 0.00 0.00 0.00 60.65 60.65 3gxg s ILE 33 Cb 0.00 -3.26 -0.16 0.00 0.01 0.00 0.00 42.46 39.05 3gxg s ILE 33 CO 0.00 0.02 1.62 -1.14 0.00 0.00 0.00 174.94 175.44 3gxg n ARG 34 N 4.57 1.04 -3.04 2.79 0.63 -1.26 -2.70 116.66 118.69 3gxg n ARG 34 Ca 0.15 0.38 -0.22 0.00 -0.92 0.00 0.00 57.85 57.24 3gxg n ARG 34 Cb 0.39 -2.04 0.02 0.00 0.45 0.00 0.00 32.46 31.28 3gxg n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gxg n ALA 35 N 4.53 -0.97 -2.16 5.13 0.00 -1.26 -0.33 120.51 125.45 3gxg n ALA 35 Ca 0.25 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 3gxg n ALA 35 Cb 0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.14 3gxg n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gxg s LEU 36 N -6.55 4.38 -0.19 0.00 2.96 -1.10 -3.75 118.68 114.43 3gxg s LEU 36 Ca 0.30 2.29 -0.04 0.00 -0.22 0.00 0.00 54.13 56.46 3gxg s LEU 36 Cb -0.14 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.05 3gxg s LEU 36 CO 0.37 -0.58 0.31 -1.58 -1.32 0.00 0.00 176.35 173.55 3gxg s GLN 37 N 0.73 0.24 0.24 1.98 0.74 0.31 -5.00 119.66 118.90 3gxg s GLN 37 Ca 0.61 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 56.34 3gxg s GLN 37 Cb -0.35 -0.36 -0.10 0.00 1.10 0.00 0.00 33.01 33.30 3gxg s GLN 37 CO 0.32 -0.46 1.38 -1.14 -0.55 0.00 0.00 175.29 174.84 3gxg s GLN 38 N 2.47 4.32 -0.02 1.67 0.74 -1.26 -1.23 119.66 126.35 3gxg s GLN 38 Ca 0.05 2.20 0.09 0.00 0.05 0.00 0.00 55.36 57.75 3gxg s GLN 38 Cb -0.14 -3.14 -0.14 0.00 1.10 0.00 0.00 33.01 30.70 3gxg s GLN 38 CO -0.12 -0.33 0.18 1.04 -0.55 0.00 0.00 175.29 175.51 3gxg n GLN 39 N 2.28 0.65 -3.78 1.67 1.13 0.04 -4.90 117.38 114.47 3gxg n GLN 39 Ca 0.06 -0.07 -0.04 0.00 -1.94 0.00 0.00 57.00 55.00 3gxg n GLN 39 Cb 0.41 -1.22 -0.01 0.00 0.11 0.00 0.00 30.24 29.52 3gxg n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gxg s ALA 40 N -2.58 -1.57 0.44 -1.58 0.00 -0.87 -4.95 121.76 110.64 3gxg s ALA 40 Ca -0.04 0.04 0.17 0.00 0.00 0.00 0.00 51.96 52.13 3gxg s ALA 40 Cb 0.05 0.68 1.09 0.00 0.00 0.00 0.00 23.12 24.95 3gxg s ALA 40 CO 0.39 -1.05 1.93 -1.35 0.00 0.00 0.00 175.76 175.68 3gxg h PRO 41 N 2.00 0.36 -0.19 0.00 0.11 -2.02 -2.07 132.00 130.19 3gxg h PRO 41 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gxg h PRO 41 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gxg h PRO 41 CO 0.25 0.24 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 3gxg n GLN 42 N -4.47 2.49 -3.77 1.05 6.02 -1.26 -4.96 117.38 112.49 3gxg n GLN 42 Ca 0.14 -2.67 -0.24 0.00 -0.01 0.00 0.00 57.00 54.22 3gxg n GLN 42 Cb 0.55 -1.68 -0.17 0.00 1.02 0.00 0.00 30.24 29.95 3gxg n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3gxg s LEU 43 N -2.64 0.66 0.07 1.08 2.96 -0.78 -0.80 118.68 119.23 3gxg s LEU 43 Ca 0.37 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 3gxg s LEU 43 Cb 0.30 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 3gxg s LEU 43 CO 0.08 -0.21 0.06 -0.76 -1.32 0.00 0.00 176.35 174.20 3gxg s LEU 44 N 1.96 3.73 0.07 -0.68 1.43 0.42 -0.78 118.68 124.83 3gxg s LEU 44 Ca 0.04 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3gxg s LEU 44 Cb -0.13 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3gxg s LEU 44 CO -0.06 0.19 -0.23 -0.94 0.23 0.00 0.00 176.35 175.53 3gxg s SER 45 N -2.28 2.83 0.33 2.29 1.04 -0.36 -1.33 113.70 116.22 3gxg s SER 45 Ca 0.28 -0.61 -0.18 0.00 0.48 0.00 0.00 55.95 55.92 3gxg s SER 45 Cb -0.12 -0.22 0.05 0.00 0.10 0.00 0.00 66.02 65.83 3gxg s SER 45 CO 0.20 0.18 0.79 -0.94 0.98 0.00 0.00 173.24 174.45 3gxg s SER 46 N -1.46 -0.08 0.07 7.02 1.04 -0.75 -0.53 113.70 119.00 3gxg s SER 46 Ca 0.10 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3gxg s SER 46 Cb -0.10 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3gxg s SER 46 CO 0.03 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.34 3gxg n GLY 47 N -0.52 -0.84 3.63 7.32 0.00 0.55 -1.84 105.19 113.48 3gxg n GLY 47 Ca -0.07 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3gxg n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxg s LEU 48 N 0.00 3.97 0.37 0.99 2.96 -0.58 -4.37 118.68 122.02 3gxg s LEU 48 Ca 0.00 0.88 -0.26 0.00 -0.22 0.00 0.00 54.13 54.53 3gxg s LEU 48 Cb 0.00 -3.40 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 3gxg s LEU 48 CO 0.00 -0.83 1.11 -2.84 -1.32 0.00 0.00 176.35 172.47 3gxg s PRO 49 N 3.50 4.25 0.87 0.98 0.02 -1.26 -4.54 135.00 138.82 3gxg s PRO 49 Ca 0.42 1.73 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 3gxg s PRO 49 Cb -0.12 -2.77 0.16 0.00 0.02 0.00 0.00 34.50 31.78 3gxg s PRO 49 CO 0.16 -0.12 1.21 0.54 -0.33 0.00 0.00 177.00 178.45 3gxg s ASN 50 N -1.20 3.71 0.16 2.53 2.20 -1.26 -4.90 114.94 116.18 3gxg s ASN 50 Ca 0.54 0.22 -0.15 0.00 -0.94 0.00 0.00 52.86 52.52 3gxg s ASN 50 Cb -0.28 -0.45 0.08 0.00 -2.00 0.00 0.00 41.25 38.60 3gxg s ASN 50 CO 0.36 -2.34 1.76 -0.08 -2.94 0.00 0.00 177.10 173.86 3gxg h GLU 51 N -1.24 0.32 -0.67 3.55 4.81 -2.00 -1.44 114.58 117.91 3gxg h GLU 51 Ca -0.43 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3gxg h GLU 51 Cb 1.26 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3gxg h GLU 51 CO 0.44 0.21 0.45 0.37 -0.73 0.00 0.00 179.01 179.75 3gxg h GLN 52 N 0.33 0.88 0.00 1.92 -0.00 -2.01 -2.49 115.11 113.74 3gxg h GLN 52 Ca 0.18 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.72 3gxg h GLN 52 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 3gxg h GLN 52 CO -0.17 0.58 -0.25 1.96 0.00 0.00 0.00 178.83 180.95 3gxg h GLN 53 N 0.90 0.00 -0.44 1.69 4.20 -1.64 -2.29 115.11 117.54 3gxg h GLN 53 Ca 0.25 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 3gxg h GLN 53 Cb -0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3gxg h GLN 53 CO -0.06 0.25 0.07 0.74 -0.67 0.00 0.00 178.83 179.16 3gxg h PHE 54 N 0.00 0.69 -0.52 2.96 0.04 -1.05 0.14 116.94 119.20 3gxg h PHE 54 Ca -0.00 -0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 3gxg h PHE 54 Cb 0.72 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 3gxg h PHE 54 CO 0.00 0.62 -0.15 0.77 -0.60 0.00 0.00 178.31 178.94 3gxg h SER 55 N 0.64 1.04 -0.76 2.17 0.02 -1.49 -1.57 113.55 113.60 3gxg h SER 55 Ca 0.14 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3gxg h SER 55 Cb 0.31 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3gxg h SER 55 CO 0.00 1.17 0.50 -0.07 -1.14 0.00 0.00 176.83 177.30 3gxg h LEU 56 N 0.90 0.88 -0.52 5.07 3.38 -1.18 -1.17 115.31 122.66 3gxg h LEU 56 Ca 0.13 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gxg h LEU 56 Cb 0.73 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3gxg h LEU 56 CO 0.06 0.64 0.33 -0.07 0.09 0.00 0.00 178.44 179.49 3gxg h LEU 57 N 1.04 0.55 -0.44 1.67 3.38 -0.49 -0.66 115.31 120.34 3gxg h LEU 57 Ca 0.28 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3gxg h LEU 57 Cb -0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3gxg h LEU 57 CO -0.06 0.39 0.19 0.50 0.09 0.00 0.00 178.44 179.55 3gxg h LYS 58 N 0.66 0.38 0.00 1.13 1.63 -0.94 -1.82 116.57 117.61 3gxg h LYS 58 Ca 0.20 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3gxg h LYS 58 Cb -0.02 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3gxg h LYS 58 CO -0.07 0.25 -0.15 1.96 -3.45 0.00 0.00 179.45 177.99 3gxg h GLN 59 N 0.39 0.00 0.00 1.90 4.20 -0.65 -0.66 115.11 120.29 3gxg h GLN 59 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3gxg h GLN 59 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3gxg h GLN 59 CO -0.17 0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 3gxg n ALA 60 N -2.38 2.54 0.00 3.87 0.00 -0.31 -4.91 120.51 119.33 3gxg n ALA 60 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3gxg n ALA 60 Cb 0.24 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3gxg n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxg n GLY 61 N 1.14 0.71 3.73 0.00 0.00 -0.26 -5.07 105.19 105.44 3gxg n GLY 61 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gxg n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gxg s VAL 62 N -2.00 2.59 -0.19 1.61 1.01 -0.79 -4.52 120.40 118.11 3gxg s VAL 62 Ca 0.00 0.44 0.13 0.00 0.00 0.00 0.00 61.98 62.55 3gxg s VAL 62 Cb 0.00 -3.28 -0.20 0.00 0.00 0.00 0.00 36.38 32.89 3gxg s VAL 62 CO 0.00 0.04 0.01 0.47 0.00 0.00 0.00 175.10 175.62 3gxg n ASP 63 N 3.48 0.95 -3.82 3.32 8.00 0.33 -4.45 116.55 124.37 3gxg n ASP 63 Ca 0.12 -0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 3gxg n ASP 63 Cb 0.39 0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 42.02 3gxg n ASP 63 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gxg s VAL 64 N -2.44 -0.00 -0.20 2.53 0.11 -0.99 -0.72 120.40 118.69 3gxg s VAL 64 Ca -0.13 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 3gxg s VAL 64 Cb 0.06 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 3gxg s VAL 64 CO 0.69 0.00 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.72 3gxg s VAL 65 N 0.14 3.41 -0.29 2.04 1.01 -0.42 -1.48 120.40 124.82 3gxg s VAL 65 Ca -0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 3gxg s VAL 65 Cb -0.02 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.86 3gxg s VAL 65 CO -0.00 0.45 0.04 -0.63 0.00 0.00 0.00 175.10 174.95 3gxg s ILE 66 N 1.12 3.55 -0.28 2.22 1.01 0.79 -0.90 121.20 128.70 3gxg s ILE 66 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3gxg s ILE 66 Cb -0.15 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 3gxg s ILE 66 CO -0.01 0.06 0.17 0.21 0.00 0.00 0.00 174.94 175.38 3gxg s ASN 67 N 1.41 5.88 -1.14 3.58 2.47 -0.10 -1.08 114.94 125.97 3gxg s ASN 67 Ca 0.01 -0.05 -0.08 0.00 0.42 0.00 0.00 52.86 53.16 3gxg s ASN 67 Cb -0.18 -2.09 0.26 0.00 -1.45 0.00 0.00 41.25 37.79 3gxg s ASN 67 CO 0.00 -0.05 1.43 0.18 -3.72 0.00 0.00 177.10 174.94 3gxg n LEU 68 N 5.04 6.04 -4.37 3.21 4.77 -0.21 -0.94 117.00 130.56 3gxg n LEU 68 Ca -0.14 -4.98 -0.31 0.00 -0.03 0.00 0.00 56.01 50.55 3gxg n LEU 68 Cb 0.52 -1.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.05 3gxg n LEU 68 CO 0.33 1.42 -0.54 -2.84 -1.33 0.00 0.00 177.39 174.42 3gxg s PRO 70 N -1.28 2.05 0.60 3.23 0.02 -1.26 -0.80 135.00 137.56 3gxg s PRO 70 Ca 0.34 -0.97 0.34 0.00 0.02 0.00 0.00 61.00 60.73 3gxg s PRO 70 Cb 0.00 -2.09 1.90 0.00 0.02 0.00 0.00 34.50 34.33 3gxg s PRO 70 CO 0.02 0.55 2.24 -0.44 -0.33 0.00 0.00 177.00 179.04 3gxg h ASP 71 N 5.10 0.00 0.85 2.53 3.32 -1.99 -1.27 116.42 124.96 3gxg h ASP 71 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gxg h ASP 71 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gxg h ASP 71 CO 0.46 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.47 3gxg n SER 72 N -3.53 0.69 -4.77 6.45 3.41 -1.26 -4.71 113.62 109.90 3gxg n SER 72 Ca -0.03 0.65 -0.40 0.00 -0.26 0.00 0.00 58.87 58.83 3gxg n SER 72 Cb 0.13 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 3gxg n SER 72 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gxg s SER 73 N -4.30 6.24 0.51 4.04 0.15 -0.48 -4.90 113.70 114.97 3gxg s SER 73 Ca 0.05 2.91 0.16 0.00 0.70 0.00 0.00 55.95 59.77 3gxg s SER 73 Cb 0.10 -2.66 1.24 0.00 -1.71 0.00 0.00 66.02 63.00 3gxg s SER 73 CO 0.43 -0.93 2.14 0.07 1.20 0.00 0.00 173.24 176.15 3gxg h LYS 74 N 2.78 0.03 -0.00 5.44 -0.00 -1.89 -1.31 116.57 121.62 3gxg h LYS 74 Ca -0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 3gxg h LYS 74 Cb 1.25 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 3gxg h LYS 74 CO 0.63 0.02 -0.18 -0.25 -0.00 0.00 0.00 179.45 179.68 3gxg n ASP 75 N -4.53 0.41 -4.76 7.07 8.00 -1.26 -4.95 116.55 116.52 3gxg n ASP 75 Ca -0.03 -0.29 -0.36 0.00 0.71 0.00 0.00 54.79 54.82 3gxg n ASP 75 Cb 0.09 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3gxg n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxg s ALA 76 N -2.70 2.55 0.46 2.24 0.00 -0.50 -4.99 121.76 118.82 3gxg s ALA 76 Ca 0.22 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.91 3gxg s ALA 76 Cb 0.19 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 3gxg s ALA 76 CO 0.54 -1.14 1.20 -1.01 0.00 0.00 0.00 175.76 175.35 3gxg s HIS 77 N -1.65 2.83 0.34 0.00 3.76 -1.26 -4.94 115.29 114.38 3gxg s HIS 77 Ca 0.76 1.51 0.03 0.00 -0.15 0.00 0.00 55.06 57.22 3gxg s HIS 77 Cb -0.29 -3.44 0.65 0.00 1.11 0.00 0.00 32.58 30.60 3gxg s HIS 77 CO 0.33 -1.67 1.97 -1.35 -0.85 0.00 0.00 174.74 173.16 3gxg h PRO 78 N 2.09 0.84 -1.64 8.40 0.11 -1.94 -3.36 132.00 136.50 3gxg h PRO 78 Ca -0.49 -0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.13 3gxg h PRO 78 Cb 1.25 -0.19 -0.30 0.00 0.11 0.00 0.00 31.00 31.87 3gxg h PRO 78 CO 0.60 0.56 -0.84 -3.47 -0.21 0.00 0.00 178.00 174.64 3gxg n ASP 79 N -4.46 -1.31 -0.02 -2.05 -0.08 -1.26 -4.99 116.55 102.38 3gxg n ASP 79 Ca 0.10 -2.70 -0.00 0.00 -1.51 0.00 0.00 54.79 50.67 3gxg n ASP 79 Cb 0.15 0.26 0.28 0.00 2.34 0.00 0.00 41.12 44.15 3gxg n ASP 79 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3gxg h GLU 80 N 4.85 0.58 -0.76 -0.67 4.81 -1.98 -2.29 114.58 119.11 3gxg h GLU 80 Ca 0.11 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3gxg h GLU 80 Cb 0.96 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 3gxg h GLU 80 CO 0.31 0.58 0.50 0.78 -0.73 0.00 0.00 179.01 180.45 3gxg h GLY 81 N 0.85 1.04 0.86 1.92 0.00 -1.95 0.44 103.07 106.22 3gxg h GLY 81 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3gxg h GLY 81 CO 0.01 0.25 -0.27 1.70 0.00 0.00 0.00 176.54 178.23 3gxg h LYS 82 N 0.83 0.53 -0.51 4.80 3.64 -1.85 -0.69 116.57 123.32 3gxg h LYS 82 Ca 0.33 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3gxg h LYS 82 Cb 0.22 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3gxg h LYS 82 CO -0.11 0.90 0.23 -0.07 -2.27 0.00 0.00 179.45 178.13 3gxg h LEU 83 N 0.19 0.30 -0.26 5.20 3.38 -1.02 -0.43 115.31 122.67 3gxg h LEU 83 Ca 0.02 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3gxg h LEU 83 Cb 0.84 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3gxg h LEU 83 CO 0.06 0.21 -0.24 0.58 0.09 0.00 0.00 178.44 179.14 3gxg h VAL 84 N 0.45 1.31 -0.13 1.22 2.07 -0.80 -1.51 116.25 118.86 3gxg h VAL 84 Ca 0.23 -1.40 -0.19 0.00 0.82 0.00 0.00 66.70 66.16 3gxg h VAL 84 Cb 0.19 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3gxg h VAL 84 CO -0.19 0.44 -0.71 0.71 0.02 0.00 0.00 177.57 177.84 3gxg h THR 85 N 0.34 1.33 -0.15 2.57 1.35 -1.04 -2.69 112.91 114.63 3gxg h THR 85 Ca 0.04 -2.01 -0.05 0.00 -0.55 0.00 0.00 66.41 63.84 3gxg h THR 85 Cb 0.80 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 3gxg h THR 85 CO 0.06 0.62 -0.12 1.56 -0.25 0.00 0.00 175.52 177.39 3gxg h GLN 86 N 0.41 0.23 0.00 4.72 4.20 -1.07 -1.10 115.11 122.50 3gxg h GLN 86 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3gxg h GLN 86 Cb 1.30 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3gxg h GLN 86 CO 0.13 0.36 0.00 0.00 -0.67 0.00 0.00 178.83 178.66 3gxg n ALA 87 N -2.49 2.39 -0.76 3.87 0.00 -0.57 -5.09 120.51 117.86 3gxg n ALA 87 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3gxg n ALA 87 Cb 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3gxg n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxg n GLY 88 N 0.61 0.90 3.60 0.00 0.00 -0.42 -4.78 105.19 105.11 3gxg n GLY 88 Ca 0.17 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3gxg n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gxg s ASP 90 N -2.48 4.60 -0.08 1.61 1.01 0.10 -5.00 116.67 116.43 3gxg s ASP 90 Ca 0.00 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.06 3gxg s ASP 90 Cb 0.00 -1.01 0.00 0.00 1.01 0.00 0.00 42.92 42.92 3gxg s ASP 90 CO 0.00 0.23 -0.20 -0.47 0.21 0.00 0.00 175.17 174.94 3gxg s TYR 91 N -1.13 2.13 -0.09 4.23 5.04 -1.26 -1.30 117.35 124.96 3gxg s TYR 91 Ca 0.20 -0.79 0.02 0.00 -2.44 0.00 0.00 57.07 54.05 3gxg s TYR 91 Cb -0.11 -1.44 0.02 0.00 0.35 0.00 0.00 41.96 40.77 3gxg s TYR 91 CO 0.12 -0.32 -0.13 0.08 -1.34 0.00 0.00 175.55 173.95 3gxg s VAL 92 N 0.33 1.29 -0.23 3.14 1.01 -0.08 -4.98 120.40 120.89 3gxg s VAL 92 Ca -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3gxg s VAL 92 Cb -0.16 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3gxg s VAL 92 CO 0.06 0.40 -0.04 -0.47 0.00 0.00 0.00 175.10 175.05 3gxg s TYR 93 N 1.00 2.98 -0.47 5.22 5.04 -1.26 -0.92 117.35 128.94 3gxg s TYR 93 Ca -0.07 -1.00 0.04 0.00 -2.44 0.00 0.00 57.07 53.60 3gxg s TYR 93 Cb -0.15 -2.11 0.17 0.00 0.35 0.00 0.00 41.96 40.22 3gxg s TYR 93 CO -0.01 -0.57 0.36 0.42 -1.34 0.00 0.00 175.55 174.41 3gxg s ILE 94 N 1.47 0.92 -0.07 3.14 1.01 -0.11 -4.98 121.20 122.57 3gxg s ILE 94 Ca 0.05 -2.92 -0.30 0.00 0.00 0.00 0.00 60.65 57.49 3gxg s ILE 94 Cb -0.15 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 3gxg s ILE 94 CO -0.03 -1.15 1.58 -2.16 0.00 0.00 0.00 174.94 173.18 3gxg s PRO 95 N -0.17 4.19 -0.23 2.79 0.04 -1.26 -4.07 135.00 136.30 3gxg s PRO 95 Ca 0.29 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 63.38 3gxg s PRO 95 Cb -0.01 -3.93 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 3gxg s PRO 95 CO -0.17 -0.81 0.01 0.08 0.04 0.00 0.00 177.00 176.15 3gxg s VAL 96 N 3.86 3.87 -0.22 -0.36 1.01 0.02 -4.89 120.40 123.69 3gxg s VAL 96 Ca 0.70 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 3gxg s VAL 96 Cb -0.32 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3gxg s VAL 96 CO 0.27 0.39 1.42 -0.62 0.00 0.00 0.00 175.10 176.56 3gxg s ASP 97 N 1.44 6.65 0.39 3.32 -1.08 -1.26 -4.53 116.67 121.60 3gxg s ASP 97 Ca 0.05 1.54 0.12 0.00 -0.52 0.00 0.00 52.55 53.75 3gxg s ASP 97 Cb -0.15 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.72 3gxg s ASP 97 CO 0.01 -1.04 1.90 -0.25 0.52 0.00 0.00 175.17 176.30 3gxg h TRP 98 N 9.49 0.64 -0.24 -5.34 2.91 -1.97 -0.83 115.95 120.61 3gxg h TRP 98 Ca -0.30 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.74 3gxg h TRP 98 Cb 1.12 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 3gxg h TRP 98 CO 0.87 0.24 0.00 1.04 -1.03 0.00 0.00 178.44 179.56 3gxg n GLN 99 N -4.51 1.84 -2.73 2.65 6.02 -1.26 -4.39 117.38 115.00 3gxg n GLN 99 Ca 0.16 -1.28 -0.08 0.00 -0.01 0.00 0.00 57.00 55.78 3gxg n GLN 99 Cb 0.50 -1.39 0.08 0.00 1.02 0.00 0.00 30.24 30.46 3gxg n GLN 99 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxg n ASN 100 N 0.51 -2.39 -4.76 1.08 5.15 -0.37 -5.09 115.26 109.39 3gxg n ASN 100 Ca 0.16 -3.53 -0.38 0.00 -0.60 0.00 0.00 54.58 50.23 3gxg n ASN 100 Cb 0.36 1.87 0.02 0.00 -0.53 0.00 0.00 39.78 41.50 3gxg n ASN 100 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxg s PRO 101 N 0.34 3.40 0.09 1.20 0.04 -0.91 -4.39 135.00 134.77 3gxg s PRO 101 Ca 0.24 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.36 3gxg s PRO 101 Cb 0.28 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3gxg s PRO 101 CO -0.10 -0.91 -0.19 0.15 0.04 0.00 0.00 177.00 176.00 3gxg s LYS 102 N -2.84 1.02 0.42 4.56 1.02 -1.26 -4.99 119.74 117.66 3gxg s LYS 102 Ca 0.68 -1.09 0.09 0.00 0.02 0.00 0.00 55.97 55.67 3gxg s LYS 102 Cb -0.35 -1.20 0.90 0.00 -0.52 0.00 0.00 37.83 36.66 3gxg s LYS 102 CO 0.41 0.28 2.04 0.28 -0.92 0.00 0.00 175.35 177.44 3gxg h VAL 103 N 4.15 1.05 -0.16 3.17 2.07 -1.96 -1.49 116.25 123.08 3gxg h VAL 103 Ca -0.44 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3gxg h VAL 103 Cb 1.18 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3gxg h VAL 103 CO 0.40 0.10 -0.00 1.05 0.02 0.00 0.00 177.57 179.13 3gxg h GLU 104 N 0.52 0.22 -0.57 1.57 4.11 -1.99 -0.24 114.58 118.20 3gxg h GLU 104 Ca 0.18 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.55 3gxg h GLU 104 Cb 0.08 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3gxg h GLU 104 CO -0.04 0.25 0.22 -0.44 0.07 0.00 0.00 179.01 179.07 3gxg h ASP 105 N 0.22 0.80 -0.45 3.06 3.32 -1.68 -0.83 116.42 120.87 3gxg h ASP 105 Ca 0.05 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 3gxg h ASP 105 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3gxg h ASP 105 CO 0.00 0.76 0.01 0.58 -1.72 0.00 0.00 179.24 178.87 3gxg h VAL 106 N 0.79 1.26 -0.85 -1.35 2.07 -1.24 -0.98 116.25 115.96 3gxg h VAL 106 Ca 0.19 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3gxg h VAL 106 Cb 0.22 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3gxg h VAL 106 CO -0.01 0.36 0.42 -0.08 0.02 0.00 0.00 177.57 178.27 3gxg h GLU 107 N 0.64 1.21 -0.68 1.57 4.57 -0.97 0.95 114.58 121.86 3gxg h GLU 107 Ca 0.13 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3gxg h GLU 107 Cb 0.49 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3gxg h GLU 107 CO 0.02 0.92 0.39 0.00 -1.18 0.00 0.00 179.01 179.16 3gxg h ALA 108 N 1.26 0.87 -0.40 2.92 0.00 -0.81 0.63 119.26 123.72 3gxg h ALA 108 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3gxg h ALA 108 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gxg h ALA 108 CO -0.04 0.36 0.22 0.35 0.00 0.00 0.00 179.25 180.14 3gxg h PHE 109 N 0.92 0.55 -0.69 0.00 3.57 -0.58 -1.33 116.94 119.39 3gxg h PHE 109 Ca 0.24 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3gxg h PHE 109 Cb 0.01 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 3gxg h PHE 109 CO -0.01 0.42 0.45 0.74 -2.23 0.00 0.00 178.31 177.68 3gxg h PHE 110 N 0.52 0.85 -0.77 0.41 0.04 -0.29 -2.44 116.94 115.26 3gxg h PHE 110 Ca 0.14 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 3gxg h PHE 110 Cb 0.05 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 3gxg h PHE 110 CO -0.02 0.52 0.47 0.00 -0.60 0.00 0.00 178.31 178.67 3gxg h ALA 111 N 1.27 0.97 0.00 2.45 0.00 -0.69 -1.12 119.26 122.13 3gxg h ALA 111 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gxg h ALA 111 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3gxg h ALA 111 CO -0.07 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3gxg n ALA 112 N -2.34 1.67 0.00 0.00 0.00 -0.52 -1.94 120.51 117.39 3gxg n ALA 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3gxg n ALA 112 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3gxg n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxg n ASP 114 N 0.83 0.00 -0.16 0.00 8.00 -0.43 -2.83 116.55 121.96 3gxg n ASP 114 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 3gxg n ASP 114 Cb 0.10 0.00 0.63 0.00 -0.02 0.00 0.00 41.12 41.84 3gxg n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxg n GLN 115 N 0.00 0.89 -1.92 -1.24 6.02 -0.82 -3.87 117.38 116.45 3gxg n GLN 115 Ca 0.00 -0.33 -0.04 0.00 -0.01 0.00 0.00 57.00 56.63 3gxg n GLN 115 Cb 0.00 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 29.83 3gxg n GLN 115 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gxg n HIS 116 N -0.77 1.07 -1.68 1.08 8.25 -1.13 -5.09 115.22 116.96 3gxg n HIS 116 Ca 0.16 -1.63 -0.43 0.00 -0.26 0.00 0.00 57.72 55.56 3gxg n HIS 116 Cb 0.27 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 3gxg n HIS 116 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxg n LYS 117 N -0.44 2.00 -0.86 -0.41 5.02 -1.25 -1.54 118.16 120.68 3gxg n LYS 117 Ca 0.18 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 3gxg n LYS 117 Cb 0.91 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3gxg n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gxg n GLY 118 N 1.04 0.38 3.95 0.72 0.00 -1.26 -5.01 105.19 105.01 3gxg n GLY 118 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3gxg n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxg s LYS 119 N -0.74 3.48 -0.13 1.61 -0.14 -0.59 -5.08 119.74 118.14 3gxg s LYS 119 Ca 0.00 -0.49 -0.23 0.00 -1.36 0.00 0.00 55.97 53.89 3gxg s LYS 119 Cb 0.00 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 3gxg s LYS 119 CO 0.00 0.32 0.70 -0.51 -0.76 0.00 0.00 175.35 175.10 3gxg s ASP 120 N -3.77 6.87 -0.05 2.83 1.01 -1.26 -4.86 116.67 117.44 3gxg s ASP 120 Ca 0.37 1.06 0.06 0.00 0.71 0.00 0.00 52.55 54.75 3gxg s ASP 120 Cb -0.10 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3gxg s ASP 120 CO 0.32 -0.23 -0.22 -0.69 0.21 0.00 0.00 175.17 174.56 3gxg s VAL 121 N 1.47 1.78 -0.19 -1.27 1.01 0.02 -0.51 120.40 122.71 3gxg s VAL 121 Ca 0.34 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3gxg s VAL 121 Cb -0.17 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3gxg s VAL 121 CO 0.14 0.50 0.03 -0.22 0.00 0.00 0.00 175.10 175.55 3gxg s LEU 122 N -0.13 3.49 -0.16 3.92 2.96 -0.55 -0.43 118.68 127.77 3gxg s LEU 122 Ca -0.02 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3gxg s LEU 122 Cb -0.12 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3gxg s LEU 122 CO 0.03 0.11 -0.06 0.54 -1.32 0.00 0.00 176.35 175.65 3gxg s VAL 123 N 0.72 3.60 0.14 1.68 0.11 -0.44 -0.15 120.40 126.06 3gxg s VAL 123 Ca 0.01 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3gxg s VAL 123 Cb -0.14 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 3gxg s VAL 123 CO 0.02 0.48 0.12 -1.38 -3.33 0.00 0.00 175.10 171.01 3gxg s HIS 124 N 0.60 0.75 0.00 1.54 -0.00 -0.24 -1.82 115.29 116.12 3gxg s HIS 124 Ca -0.04 -1.12 0.00 0.00 -0.00 0.00 0.00 55.06 53.90 3gxg s HIS 124 Cb -0.15 -0.37 0.00 0.00 -0.00 0.00 0.00 32.58 32.06 3gxg s HIS 124 CO 0.03 -0.58 0.00 0.00 -0.00 0.00 0.00 174.74 174.19 3gxg h LEU 126 N 0.00 0.09 -2.01 0.00 5.85 -1.86 -1.54 115.31 115.85 3gxg h LEU 126 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3gxg h LEU 126 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3gxg h LEU 126 CO 0.00 1.46 -0.37 0.00 -0.34 0.00 0.00 178.44 179.20 3gxg n ALA 127 N -3.20 1.90 -1.41 1.25 0.00 -1.26 -1.52 120.51 116.27 3gxg n ALA 127 Ca -0.28 -1.13 -0.10 0.00 0.00 0.00 0.00 53.44 51.94 3gxg n ALA 127 Cb 0.71 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 3gxg n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gxg n ASN 128 N -0.18 -4.07 0.06 0.00 5.15 -1.25 -4.68 115.26 110.30 3gxg n ASN 128 Ca 0.02 0.21 -0.04 0.00 -0.60 0.00 0.00 54.58 54.17 3gxg n ASN 128 Cb 0.66 -2.56 -0.02 0.00 -0.53 0.00 0.00 39.78 37.33 3gxg n ASN 128 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3gxg h TYR 129 N 0.00 -0.22 -0.47 1.20 -1.99 -1.90 -2.89 116.97 110.70 3gxg h TYR 129 Ca -0.21 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.58 3gxg h TYR 129 Cb 0.71 0.07 -0.06 0.00 2.00 0.00 0.00 36.73 39.46 3gxg h TYR 129 CO 0.27 -0.14 0.15 0.00 -0.00 0.00 0.00 178.16 178.45 3gxg h ARG 130 N -0.81 0.30 -0.40 4.88 3.08 -1.96 -2.44 114.38 117.03 3gxg h ARG 130 Ca -0.02 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3gxg h ARG 130 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3gxg h ARG 130 CO 0.04 0.20 -0.13 0.00 -1.07 0.00 0.00 179.97 179.01 3gxg h ALA 131 N 1.32 0.55 -0.58 0.04 0.00 -1.87 -1.24 119.26 117.48 3gxg h ALA 131 Ca 0.22 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3gxg h ALA 131 Cb 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gxg h ALA 131 CO -0.24 0.45 0.12 0.66 0.00 0.00 0.00 179.25 180.24 3gxg h SER 132 N 0.60 0.87 -0.48 0.00 4.64 -1.42 -0.32 113.55 117.44 3gxg h SER 132 Ca 0.10 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3gxg h SER 132 Cb 0.67 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3gxg h SER 132 CO 0.05 0.86 0.13 0.00 -0.87 0.00 0.00 176.83 177.00 3gxg h ALA 133 N 1.25 0.63 -0.46 5.18 0.00 -1.27 -1.04 119.26 123.55 3gxg h ALA 133 Ca 0.18 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3gxg h ALA 133 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gxg h ALA 133 CO 0.00 0.31 -0.16 0.74 0.00 0.00 0.00 179.25 180.14 3gxg h PHE 134 N 0.65 0.98 -0.51 0.00 -1.00 -1.02 -1.98 116.94 114.06 3gxg h PHE 134 Ca 0.15 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 3gxg h PHE 134 Cb 0.30 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 3gxg h PHE 134 CO 0.02 0.97 0.25 0.00 -1.61 0.00 0.00 178.31 177.93 3gxg h ALA 135 N 1.04 0.65 -0.26 2.45 0.00 -1.00 -1.30 119.26 120.84 3gxg h ALA 135 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gxg h ALA 135 Cb 0.69 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3gxg h ALA 135 CO 0.05 0.21 -0.21 -0.92 0.00 0.00 0.00 179.25 178.37 3gxg h TYR 136 N 0.67 -0.55 -0.43 0.00 3.20 -0.99 -0.93 116.97 117.94 3gxg h TYR 136 Ca 0.17 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 3gxg h TYR 136 Cb 0.11 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3gxg h TYR 136 CO -0.01 -0.29 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.98 3gxg h LEU 137 N -0.21 0.83 -0.18 2.82 3.38 -1.07 0.63 115.31 121.52 3gxg h LEU 137 Ca 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3gxg h LEU 137 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3gxg h LEU 137 CO -0.38 1.00 0.11 0.22 0.09 0.00 0.00 178.44 179.48 3gxg h TYR 138 N 0.73 0.23 -0.31 1.13 3.20 -0.98 -0.80 116.97 120.17 3gxg h TYR 138 Ca 0.11 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3gxg h TYR 138 Cb 0.69 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3gxg h TYR 138 CO 0.04 0.17 -0.05 1.96 -1.64 0.00 0.00 178.16 178.63 3gxg h GLN 139 N 0.22 0.49 0.06 1.82 4.20 -0.82 0.49 115.11 121.58 3gxg h GLN 139 Ca 0.06 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3gxg h GLN 139 Cb 0.01 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3gxg h GLN 139 CO -0.01 0.56 -0.03 1.25 -0.67 0.00 0.00 178.83 179.93 3gxg h LEU 140 N 0.47 -0.07 -1.11 1.46 5.85 -0.66 -0.94 115.31 120.31 3gxg h LEU 140 Ca 0.10 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3gxg h LEU 140 Cb 0.39 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3gxg h LEU 140 CO 0.02 0.11 0.61 0.50 -0.34 0.00 0.00 178.44 179.33 3gxg h LYS 141 N -0.25 1.04 0.00 1.25 3.64 -0.76 -1.81 116.57 119.68 3gxg h LYS 141 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3gxg h LYS 141 Cb 0.22 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3gxg h LYS 141 CO 0.01 0.69 0.00 1.04 -2.27 0.00 0.00 179.45 178.92 3gxg n GLN 142 N -4.49 0.43 -1.62 1.90 1.13 0.13 -4.88 117.38 109.98 3gxg n GLN 142 Ca 0.14 0.05 -0.04 0.00 -1.94 0.00 0.00 57.00 55.22 3gxg n GLN 142 Cb 0.19 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 3gxg n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gxg n GLY 143 N 0.64 0.42 0.22 1.08 0.00 -0.68 -4.94 105.19 101.93 3gxg n GLY 143 Ca 0.13 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.46 3gxg n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gxg n GLN 144 N -2.07 0.93 -3.88 1.61 6.02 -0.38 -4.97 117.38 114.65 3gxg n GLN 144 Ca -0.04 -0.44 -0.36 0.00 -0.01 0.00 0.00 57.00 56.15 3gxg n GLN 144 Cb 0.34 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.13 3gxg n GLN 144 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxg n ASN 145 N -0.65 -3.99 -4.75 1.08 5.15 -1.25 -4.91 115.26 105.93 3gxg n ASN 145 Ca 0.15 -1.12 -0.37 0.00 -0.60 0.00 0.00 54.58 52.64 3gxg n ASN 145 Cb 0.31 -2.69 0.03 0.00 -0.53 0.00 0.00 39.78 36.90 3gxg n ASN 145 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxg s PRO 146 N -6.60 3.10 0.65 1.20 0.04 -1.26 -5.06 135.00 127.06 3gxg s PRO 146 Ca 0.40 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 3gxg s PRO 146 Cb -0.17 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.41 3gxg s PRO 146 CO 0.91 -1.14 0.88 -1.71 0.04 0.00 0.00 177.00 175.98 3gxg n ASN 147 N -1.28 0.43 0.00 6.66 2.85 -1.26 -4.99 115.26 117.67 3gxg n ASN 147 Ca 0.12 -1.54 0.00 0.00 -0.11 0.00 0.00 54.58 53.05 3gxg n ASN 147 Cb 0.48 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.86 3gxg n ASN 147 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gxg n ALA 149 N -3.36 0.00 0.00 5.20 0.00 -1.26 -0.63 120.51 120.46 3gxg n ALA 149 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 3gxg n ALA 149 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 3gxg n ALA 149 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gxg h GLN 150 N 0.00 0.33 -0.81 0.00 1.08 -2.03 -3.18 115.11 110.50 3gxg h GLN 150 Ca 0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3gxg h GLN 150 Cb 0.00 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3gxg h GLN 150 CO 0.00 1.09 0.00 2.41 -0.95 0.00 0.00 178.83 181.38 3gxg n THR 151 N -4.27 0.03 0.00 -0.54 -1.04 0.20 -4.84 114.28 103.81 3gxg n THR 151 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3gxg n THR 151 Cb 0.66 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3gxg n THR 151 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gxg n THR 153 N 0.66 0.00 0.31 12.58 -1.04 -1.20 -4.85 114.28 120.74 3gxg n THR 153 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 3gxg n THR 153 Cb 0.03 0.00 1.02 0.00 -1.82 0.00 0.00 70.33 69.56 3gxg n THR 153 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3gxg h PRO 154 N 0.00 0.00 0.00 -2.82 0.11 -1.88 -1.87 132.00 125.54 3gxg h PRO 154 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gxg h PRO 154 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gxg h PRO 154 CO 0.00 0.00 0.00 -1.49 -0.21 0.00 0.00 178.00 176.30 3gxg h TRP 155 N 0.00 0.00 0.00 0.65 4.06 -1.94 -3.47 115.95 115.26 3gxg h TRP 155 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3gxg h TRP 155 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 3gxg h TRP 155 CO 0.00 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.15 3gxg n ASN 156 N -2.40 0.00 -1.11 -3.49 0.23 -0.70 -0.31 115.26 107.48 3gxg n ASN 156 Ca 0.05 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.17 3gxg n ASN 156 Cb 0.40 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.35 3gxg n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3gxg n ASP 157 N 1.37 3.23 0.09 0.53 8.00 -1.26 -4.64 116.55 123.87 3gxg n ASP 157 Ca 0.00 -2.17 0.13 0.00 0.71 0.00 0.00 54.79 53.46 3gxg n ASP 157 Cb 0.00 -0.43 0.34 0.00 -0.02 0.00 0.00 41.12 41.01 3gxg n ASP 157 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gxg n GLU 158 N 0.90 0.28 -0.32 -1.24 1.02 0.58 -4.27 120.64 117.58 3gxg n GLU 158 Ca 0.18 0.18 0.06 0.00 -0.02 0.00 0.00 57.16 57.57 3gxg n GLU 158 Cb 0.57 -1.78 0.22 0.00 -0.02 0.00 0.00 31.44 30.43 3gxg n GLU 158 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3gxg h LEU 159 N 0.00 0.75 -1.82 -4.62 5.85 -1.83 -0.05 115.31 113.59 3gxg h LEU 159 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3gxg h LEU 159 Cb 0.74 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3gxg h LEU 159 CO 0.00 0.38 -0.11 0.00 -0.34 0.00 0.00 178.44 178.37 3gxg h ALA 160 N 1.53 1.77 0.00 1.25 0.00 -1.98 -1.04 119.26 120.79 3gxg h ALA 160 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3gxg h ALA 160 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gxg h ALA 160 CO -0.29 0.13 0.00 -0.89 0.00 0.00 0.00 179.25 178.20 3gxg n ILE 161 N -4.33 0.84 -3.78 0.00 2.08 -0.04 -4.10 119.36 110.04 3gxg n ILE 161 Ca -0.03 0.19 -0.28 0.00 0.56 0.00 0.00 62.75 63.20 3gxg n ILE 161 Cb 0.18 -1.05 -0.11 0.00 -0.75 0.00 0.00 39.64 37.92 3gxg n ILE 161 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3gxg n TYR 162 N -1.97 3.01 0.04 1.39 4.01 -0.39 -4.96 117.16 118.29 3gxg n TYR 162 Ca 0.03 -4.21 0.18 0.00 -0.16 0.00 0.00 57.90 53.73 3gxg n TYR 162 Cb 0.23 -0.55 0.67 0.00 -0.31 0.00 0.00 39.34 39.37 3gxg n TYR 162 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gxg h PRO 163 N 5.17 0.02 -0.28 -0.72 0.13 -1.74 0.25 132.00 134.82 3gxg h PRO 163 Ca 0.17 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.21 3gxg h PRO 163 Cb 0.75 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3gxg h PRO 163 CO 0.71 0.01 -0.19 0.87 -0.23 0.00 0.00 178.00 179.18 3gxg h LYS 164 N 0.02 0.51 0.15 0.86 1.57 -1.93 0.29 116.57 118.04 3gxg h LYS 164 Ca 0.21 -0.17 -0.31 0.00 -1.87 0.00 0.00 60.65 58.51 3gxg h LYS 164 Cb 0.80 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.10 3gxg h LYS 164 CO -0.01 0.67 -1.29 -1.49 -0.57 0.00 0.00 179.45 176.77 3gxg h TRP 165 N 0.46 0.98 -0.74 -1.35 4.06 -1.33 -2.05 115.95 115.97 3gxg h TRP 165 Ca 0.08 -0.64 0.07 0.00 2.06 0.00 0.00 58.89 60.46 3gxg h TRP 165 Cb 0.59 -0.07 -0.06 0.00 -1.00 0.00 0.00 29.16 28.62 3gxg h TRP 165 CO 0.02 1.48 0.43 0.37 -3.56 0.00 0.00 178.44 177.17 3gxg h GLN 166 N 0.24 0.75 -0.39 0.49 4.15 -1.12 -1.06 115.11 118.17 3gxg h GLN 166 Ca -0.20 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.13 3gxg h GLN 166 Cb 1.97 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 29.47 3gxg h GLN 166 CO 0.24 0.50 0.07 0.00 -1.93 0.00 0.00 178.83 177.71 3gxg h ALA 167 N 1.38 0.52 -0.08 3.38 0.00 -0.95 -1.29 119.26 122.22 3gxg h ALA 167 Ca 0.33 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gxg h ALA 167 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gxg h ALA 167 CO -0.19 0.22 -0.03 1.25 0.00 0.00 0.00 179.25 180.50 3gxg h LEU 168 N 0.49 -0.09 -0.99 0.00 5.85 -1.02 -0.44 115.31 119.11 3gxg h LEU 168 Ca 0.12 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3gxg h LEU 168 Cb 0.36 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3gxg h LEU 168 CO 0.01 -0.04 0.65 -0.07 -0.34 0.00 0.00 178.44 178.66 3gxg h LEU 169 N -0.01 1.12 -0.14 2.25 4.07 -1.11 -1.34 115.31 120.15 3gxg h LEU 169 Ca 0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 3gxg h LEU 169 Cb 0.07 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 3gxg h LEU 169 CO -0.09 0.80 -0.01 0.74 -1.08 0.00 0.00 178.44 178.80 3gxg h THR 170 N 1.32 1.26 -0.39 0.22 2.02 -0.92 -0.91 112.91 115.51 3gxg h THR 170 Ca 0.37 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 3gxg h THR 170 Cb -0.11 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3gxg h THR 170 CO -0.09 0.25 0.05 -0.08 0.37 0.00 0.00 175.52 176.02 3gxg h GLU 171 N -0.03 0.66 -0.24 6.66 4.81 -0.88 -1.26 114.58 124.31 3gxg h GLU 171 Ca 0.04 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 3gxg h GLU 171 Cb 0.39 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3gxg h GLU 171 CO 0.01 0.72 -0.27 0.28 -0.73 0.00 0.00 179.01 179.02 3gxg h VAL 172 N 0.50 1.32 0.00 0.32 2.07 -1.28 -2.84 116.25 116.34 3gxg h VAL 172 Ca 0.12 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 3gxg h VAL 172 Cb 0.39 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3gxg h VAL 172 CO 0.01 0.45 -0.02 0.28 0.02 0.00 0.00 177.57 178.31 3gxg h SER 173 N 0.30 0.00 0.35 0.57 0.02 -1.07 -2.29 113.55 111.44 3gxg h SER 173 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3gxg h SER 173 Cb 0.84 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 3gxg h SER 173 CO 0.07 0.02 -0.15 0.00 -1.14 0.00 0.00 176.83 175.63 3gxg h ALA 174 N 1.98 1.35 0.00 3.77 0.00 -0.97 -2.61 119.26 122.78 3gxg h ALA 174 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gxg h ALA 174 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gxg h ALA 174 CO 0.00 0.19 -0.04 0.87 0.00 0.00 0.00 179.25 180.27 3gxg h LYS 175 N 0.00 0.00 -5.69 0.00 1.57 -1.47 -3.46 116.57 107.52 3gxg h LYS 175 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3gxg h LYS 175 Cb 0.36 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.54 3gxg h LYS 175 CO 0.02 0.04 -0.64 0.71 -0.57 0.00 0.00 179.45 179.01 3gxg s TYR 176 N -3.48 2.33 0.00 -1.35 2.02 -0.99 -5.14 117.35 110.75 3gxg s TYR 176 Ca 0.03 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 3gxg s TYR 176 Cb 0.08 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 3gxg s TYR 176 CO 0.61 0.43 0.00 0.41 -1.57 0.00 0.00 175.55 175.42 3gxg n GLY 177 N -0.82 0.74 0.00 0.71 0.00 -1.26 -4.98 105.19 99.58 3gxg n GLY 177 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3gxg n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74