#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxg n ASN 23 N 0.00 2.06 -4.72 1.61 3.02 -1.26 -5.04 115.26 110.92 3gxg n ASN 23 Ca 0.00 -2.49 -0.42 0.00 -0.03 0.00 0.00 54.58 51.64 3gxg n ASN 23 Cb 0.00 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 3gxg n ASN 23 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gxg s ILE 24 N -2.46 2.63 -0.10 2.41 -1.09 -1.26 -4.99 121.20 116.35 3gxg s ILE 24 Ca 0.57 0.46 0.01 0.00 -2.23 0.00 0.00 60.65 59.46 3gxg s ILE 24 Cb -0.05 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 3gxg s ILE 24 CO 0.36 0.04 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.38 3gxg s GLU 25 N 0.90 3.06 -1.16 2.79 2.02 -1.26 -4.79 118.70 120.27 3gxg s GLU 25 Ca 0.68 -0.66 -0.19 0.00 0.02 0.00 0.00 54.97 54.82 3gxg s GLU 25 Cb -0.43 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 3gxg s GLU 25 CO 0.33 0.39 0.77 0.43 0.02 0.00 0.00 175.26 177.20 3gxg n SER 26 N 3.01 -4.90 0.22 -0.19 7.64 -1.26 -4.83 113.62 113.30 3gxg n SER 26 Ca -0.18 -1.01 0.18 0.00 1.01 0.00 0.00 58.87 58.87 3gxg n SER 26 Cb 0.53 -3.39 0.83 0.00 -1.01 0.00 0.00 64.21 61.16 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 -1.89 0.24 -0.14 0.44 2.10 -2.02 -1.12 117.51 115.14 3gxg h ILE 27 Ca -0.66 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.32 3gxg h ILE 27 Cb 1.36 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 3gxg h ILE 27 CO 0.49 0.00 0.13 1.05 -1.08 0.00 0.00 178.15 178.75 3gxg h GLU 28 N 0.00 0.00 0.00 2.19 9.09 -1.99 0.71 114.58 124.58 3gxg h GLU 28 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 3gxg h GLU 28 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 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 -3.96 0.42 -0.85 3.06 3.02 -0.42 -1.39 115.26 115.15 3gxg n ASN 29 Ca 0.00 0.62 0.12 0.00 -0.03 0.00 0.00 54.58 55.29 3gxg n ASN 29 Cb 0.25 -0.70 0.26 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.98 2.60 -0.51 3.41 4.77 0.24 -4.53 117.00 120.99 3gxg n LEU 30 Ca 0.02 -0.96 0.08 0.00 -0.03 0.00 0.00 56.01 55.12 3gxg n LEU 30 Cb 0.18 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.39 3gxg n LEU 30 CO 0.16 0.48 0.64 0.00 -1.33 0.00 0.00 177.39 177.33 3gxg n GLN 31 N 0.99 2.34 0.00 3.23 6.02 -0.48 -5.09 117.38 124.39 3gxg n GLN 31 Ca 0.17 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 3gxg n GLN 31 Cb 0.51 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.75 -0.34 3.72 1.08 0.00 -1.25 -4.86 105.19 102.78 3gxg n GLY 32 Ca 0.17 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 3.29 0.08 -0.61 1.01 -1.26 -4.89 121.20 118.82 3gxg s ILE 33 Ca 0.00 0.94 -0.34 0.00 0.00 0.00 0.00 60.65 61.25 3gxg s ILE 33 Cb 0.00 -3.60 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 3gxg s ILE 33 CO 0.00 0.08 1.63 -1.14 0.00 0.00 0.00 174.94 175.51 3gxg n ARG 34 N 3.83 2.03 -3.26 2.79 0.63 -1.26 -3.00 116.66 118.42 3gxg n ARG 34 Ca 0.11 0.74 -0.24 0.00 -0.92 0.00 0.00 57.85 57.54 3gxg n ARG 34 Cb 0.42 -2.51 0.03 0.00 0.45 0.00 0.00 32.46 30.86 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 4.17 -1.07 -2.13 5.13 0.00 -1.26 -0.56 120.51 124.79 3gxg n ALA 35 Ca 0.19 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 3gxg n ALA 35 Cb 0.28 -3.90 -0.03 0.00 0.00 0.00 0.00 19.45 15.79 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 -6.78 4.43 -0.16 0.00 2.96 -1.16 -3.55 118.68 114.43 3gxg s LEU 36 Ca 0.40 2.18 -0.05 0.00 -0.22 0.00 0.00 54.13 56.44 3gxg s LEU 36 Cb -0.19 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 42.98 3gxg s LEU 36 CO 0.49 -0.39 0.28 -1.58 -1.32 0.00 0.00 176.35 173.83 3gxg s GLN 37 N 0.07 0.19 0.27 1.98 0.74 0.47 -4.99 119.66 118.38 3gxg s GLN 37 Ca 0.54 0.67 -0.29 0.00 0.05 0.00 0.00 55.36 56.33 3gxg s GLN 37 Cb -0.32 -0.23 -0.10 0.00 1.10 0.00 0.00 33.01 33.47 3gxg s GLN 37 CO 0.35 -0.37 1.34 -1.14 -0.55 0.00 0.00 175.29 174.91 3gxg s GLN 38 N 2.44 4.35 -0.02 1.67 0.74 -1.26 -1.18 119.66 126.39 3gxg s GLN 38 Ca 0.03 2.18 0.06 0.00 0.05 0.00 0.00 55.36 57.69 3gxg s GLN 38 Cb -0.13 -3.12 -0.10 0.00 1.10 0.00 0.00 33.01 30.77 3gxg s GLN 38 CO -0.10 -0.26 0.12 1.04 -0.55 0.00 0.00 175.29 175.54 3gxg n GLN 39 N 1.74 0.86 -3.75 1.67 1.13 0.22 -4.90 117.38 114.34 3gxg n GLN 39 Ca 0.03 -0.05 -0.02 0.00 -1.94 0.00 0.00 57.00 55.02 3gxg n GLN 39 Cb 0.42 -1.16 -0.01 0.00 0.11 0.00 0.00 30.24 29.60 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 -2.39 -1.76 0.49 -1.58 0.00 -0.96 -4.95 121.76 110.60 3gxg s ALA 40 Ca -0.03 0.16 0.14 0.00 0.00 0.00 0.00 51.96 52.23 3gxg s ALA 40 Cb 0.04 0.61 1.17 0.00 0.00 0.00 0.00 23.12 24.93 3gxg s ALA 40 CO 0.27 -1.05 2.12 -1.35 0.00 0.00 0.00 175.76 175.75 3gxg h PRO 41 N 2.00 0.14 -0.26 0.00 0.11 -2.02 -2.22 132.00 129.75 3gxg h PRO 41 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gxg h PRO 41 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gxg h PRO 41 CO 0.28 0.09 0.00 1.04 -0.21 0.00 0.00 178.00 179.20 3gxg n GLN 42 N -4.52 2.81 -3.78 1.05 6.02 -1.26 -4.96 117.38 112.74 3gxg n GLN 42 Ca -0.01 -2.44 -0.24 0.00 -0.01 0.00 0.00 57.00 54.30 3gxg n GLN 42 Cb 0.11 -1.55 -0.17 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.02 0.70 0.01 1.08 2.96 -0.84 -1.01 118.68 119.57 3gxg s LEU 43 Ca 0.32 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3gxg s LEU 43 Cb 0.23 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.38 3gxg s LEU 43 CO 0.11 -0.19 0.05 -0.76 -1.32 0.00 0.00 176.35 174.24 3gxg s LEU 44 N 1.93 3.76 0.07 -0.68 1.43 0.20 -0.61 118.68 124.78 3gxg s LEU 44 Ca 0.05 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 3gxg s LEU 44 Cb -0.13 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3gxg s LEU 44 CO -0.06 0.25 -0.24 -0.94 0.23 0.00 0.00 176.35 175.59 3gxg s SER 45 N -1.81 2.93 0.30 2.29 1.04 -0.33 -1.02 113.70 117.10 3gxg s SER 45 Ca 0.23 -0.63 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 3gxg s SER 45 Cb -0.12 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.82 3gxg s SER 45 CO 0.14 0.18 0.80 -0.94 0.98 0.00 0.00 173.24 174.41 3gxg s SER 46 N -1.53 -0.12 0.00 7.02 1.04 -0.66 -0.39 113.70 119.05 3gxg s SER 46 Ca 0.10 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3gxg s SER 46 Cb -0.10 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3gxg s SER 46 CO 0.03 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.44 3gxg n GLY 47 N -0.51 -0.63 3.62 7.32 0.00 0.28 -1.80 105.19 113.47 3gxg n GLY 47 Ca -0.06 -1.64 -0.42 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 4.02 0.27 0.99 2.96 -0.10 -4.32 118.68 122.50 3gxg s LEU 48 Ca 0.00 0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 54.41 3gxg s LEU 48 Cb 0.00 -3.27 -0.10 0.00 0.50 0.00 0.00 46.19 43.32 3gxg s LEU 48 CO 0.00 -0.74 1.33 -2.84 -1.32 0.00 0.00 176.35 172.78 3gxg s PRO 49 N 3.28 4.36 0.96 0.98 0.02 -1.26 -4.46 135.00 138.87 3gxg s PRO 49 Ca 0.38 2.17 -0.15 0.00 0.02 0.00 0.00 61.00 63.42 3gxg s PRO 49 Cb -0.13 -3.12 0.18 0.00 0.02 0.00 0.00 34.50 31.45 3gxg s PRO 49 CO 0.14 -0.25 1.24 0.54 -0.33 0.00 0.00 177.00 178.34 3gxg s ASN 50 N -0.03 3.11 0.21 2.53 2.20 -1.26 -4.91 114.94 116.79 3gxg s ASN 50 Ca 0.54 0.52 0.20 0.00 -0.94 0.00 0.00 52.86 53.18 3gxg s ASN 50 Cb -0.39 -0.76 0.89 0.00 -2.00 0.00 0.00 41.25 38.99 3gxg s ASN 50 CO 0.45 -2.76 1.61 -0.62 -2.94 0.00 0.00 177.10 172.84 3gxg n GLU 51 N -3.83 0.14 -0.20 3.55 1.02 -1.26 -1.39 120.64 118.67 3gxg n GLU 51 Ca 0.12 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.82 3gxg n GLU 51 Cb 0.60 -1.80 0.21 0.00 -0.02 0.00 0.00 31.44 30.42 3gxg n GLU 51 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3gxg n GLN 52 N -2.07 2.44 -0.02 3.49 3.00 -1.26 -4.56 117.38 118.40 3gxg n GLN 52 Ca 0.01 -2.25 0.05 0.00 -0.01 0.00 0.00 57.00 54.80 3gxg n GLN 52 Cb 0.16 -1.48 0.06 0.00 0.00 0.00 0.00 30.24 28.97 3gxg n GLN 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3gxg n GLN 53 N 1.38 0.76 0.09 -1.09 6.02 -0.48 -4.60 117.38 119.45 3gxg n GLN 53 Ca 0.18 -1.22 -0.06 0.00 -0.01 0.00 0.00 57.00 55.89 3gxg n GLN 53 Cb 0.57 -1.19 0.02 0.00 1.02 0.00 0.00 30.24 30.66 3gxg n GLN 53 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3gxg h PHE 54 N 1.90 0.18 -0.09 1.08 0.04 -1.81 -2.71 116.94 115.53 3gxg h PHE 54 Ca 0.00 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 3gxg h PHE 54 Cb 0.45 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 3gxg h PHE 54 CO 0.03 0.88 -0.28 0.77 -0.60 0.00 0.00 178.31 179.12 3gxg h SER 55 N 0.07 0.16 -0.82 2.17 0.02 -1.88 -2.33 113.55 110.94 3gxg h SER 55 Ca -0.03 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3gxg h SER 55 Cb 1.42 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 3gxg h SER 55 CO 0.12 0.44 0.45 -0.07 -1.14 0.00 0.00 176.83 176.63 3gxg h LEU 56 N 0.15 1.03 -0.57 5.07 3.38 -1.79 -0.33 115.31 122.25 3gxg h LEU 56 Ca 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gxg h LEU 56 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3gxg h LEU 56 CO 0.04 0.84 0.33 -0.07 0.09 0.00 0.00 178.44 179.66 3gxg h LEU 57 N 1.14 0.70 -0.88 1.67 3.38 -1.16 -1.24 115.31 118.93 3gxg h LEU 57 Ca 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gxg h LEU 57 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3gxg h LEU 57 CO -0.05 0.58 0.55 0.50 0.09 0.00 0.00 178.44 180.12 3gxg h LYS 58 N 0.77 1.17 -0.73 1.13 1.63 -1.01 -1.96 116.57 117.57 3gxg h LYS 58 Ca 0.20 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3gxg h LYS 58 Cb 0.02 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.36 3gxg h LYS 58 CO -0.03 0.80 0.39 0.37 -3.45 0.00 0.00 179.45 177.53 3gxg h GLN 59 N 1.20 1.02 0.00 1.90 4.15 -0.56 -0.84 115.11 121.98 3gxg h GLN 59 Ca 0.32 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3gxg h GLN 59 Cb -0.09 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.40 3gxg h GLN 59 CO -0.06 0.76 0.00 0.00 -1.93 0.00 0.00 178.83 177.59 3gxg n ALA 60 N -2.43 2.13 0.00 3.38 0.00 -0.51 -4.88 120.51 118.20 3gxg n ALA 60 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3gxg n ALA 60 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.46 0.65 3.71 0.00 0.00 -0.32 -5.06 105.19 104.63 3gxg n GLY 61 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 2.83 -0.19 1.61 1.01 -0.78 -4.54 120.40 118.34 3gxg s VAL 62 Ca 0.00 0.51 0.12 0.00 0.00 0.00 0.00 61.98 62.61 3gxg s VAL 62 Cb 0.00 -3.33 -0.23 0.00 0.00 0.00 0.00 36.38 32.82 3gxg s VAL 62 CO 0.00 0.03 0.10 0.47 0.00 0.00 0.00 175.10 175.70 3gxg n ASP 63 N 4.51 0.74 -3.82 3.32 8.00 0.55 -4.45 116.55 125.39 3gxg n ASP 63 Ca 0.14 0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 3gxg n ASP 63 Cb 0.40 0.39 -0.14 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.52 -0.02 -0.22 2.53 0.11 -0.87 -1.30 120.40 118.12 3gxg s VAL 64 Ca -0.16 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 3gxg s VAL 64 Cb 0.07 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.81 3gxg s VAL 64 CO 0.77 0.03 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.87 3gxg s VAL 65 N 0.39 3.77 -0.29 2.04 1.01 -0.34 -0.98 120.40 125.99 3gxg s VAL 65 Ca -0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3gxg s VAL 65 Cb -0.04 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.63 3gxg s VAL 65 CO -0.01 0.41 0.06 -0.63 0.00 0.00 0.00 175.10 174.93 3gxg s ILE 66 N 1.28 3.78 -0.27 2.22 1.01 0.65 -1.28 121.20 128.58 3gxg s ILE 66 Ca 0.04 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3gxg s ILE 66 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3gxg s ILE 66 CO 0.00 0.08 0.14 0.21 0.00 0.00 0.00 174.94 175.38 3gxg s ASN 67 N 1.47 5.64 -1.11 3.58 2.47 -0.23 -0.89 114.94 125.87 3gxg s ASN 67 Ca 0.02 -0.14 -0.08 0.00 0.42 0.00 0.00 52.86 53.08 3gxg s ASN 67 Cb -0.17 -2.03 0.28 0.00 -1.45 0.00 0.00 41.25 37.88 3gxg s ASN 67 CO 0.01 -0.06 1.18 0.18 -3.72 0.00 0.00 177.10 174.69 3gxg n LEU 68 N 5.00 5.66 -4.34 3.21 4.77 -0.27 -1.02 117.00 130.01 3gxg n LEU 68 Ca -0.15 -5.07 -0.32 0.00 -0.03 0.00 0.00 56.01 50.44 3gxg n LEU 68 Cb 0.51 -1.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.02 3gxg n LEU 68 CO 0.32 1.42 -0.53 -2.84 -1.33 0.00 0.00 177.39 174.43 3gxg s PRO 70 N -1.57 2.39 0.61 3.23 0.02 -1.26 -0.87 135.00 137.54 3gxg s PRO 70 Ca 0.31 -0.85 0.31 0.00 0.02 0.00 0.00 61.00 60.79 3gxg s PRO 70 Cb -0.07 -2.18 1.82 0.00 0.02 0.00 0.00 34.50 34.09 3gxg s PRO 70 CO -0.05 0.51 2.18 -0.44 -0.33 0.00 0.00 177.00 178.87 3gxg h ASP 71 N 5.67 0.00 0.81 2.53 3.32 -1.99 -1.20 116.42 125.57 3gxg h ASP 71 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3gxg h ASP 71 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3gxg h ASP 71 CO 0.48 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 3gxg n SER 72 N -3.67 0.23 -4.76 6.45 3.41 -1.26 -4.71 113.62 109.31 3gxg n SER 72 Ca -0.01 0.54 -0.39 0.00 -0.26 0.00 0.00 58.87 58.75 3gxg n SER 72 Cb 0.21 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.42 5.85 0.55 4.04 0.15 -0.45 -4.90 113.70 115.51 3gxg s SER 73 Ca 0.09 2.81 0.22 0.00 0.70 0.00 0.00 55.95 59.77 3gxg s SER 73 Cb 0.13 -2.64 1.45 0.00 -1.71 0.00 0.00 66.02 63.24 3gxg s SER 73 CO 0.41 -1.18 2.13 0.07 1.20 0.00 0.00 173.24 175.87 3gxg h LYS 74 N 2.21 0.00 -0.01 5.44 2.10 -1.89 -2.06 116.57 122.36 3gxg h LYS 74 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3gxg h LYS 74 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3gxg h LYS 74 CO 0.61 0.00 -0.32 -0.25 -2.00 0.00 0.00 179.45 177.48 3gxg n ASP 75 N -4.27 0.83 -4.76 7.07 8.00 -1.26 -4.95 116.55 117.20 3gxg n ASP 75 Ca -0.00 -0.67 -0.39 0.00 0.71 0.00 0.00 54.79 54.44 3gxg n ASP 75 Cb 0.22 0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.65 3.15 0.53 2.24 0.00 -0.78 -4.99 121.76 119.25 3gxg s ALA 76 Ca 0.20 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.24 3gxg s ALA 76 Cb 0.19 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 3gxg s ALA 76 CO 0.57 -1.00 1.20 -1.01 0.00 0.00 0.00 175.76 175.52 3gxg s HIS 77 N -1.28 2.61 0.39 0.00 3.76 -1.26 -4.95 115.29 114.56 3gxg s HIS 77 Ca 0.61 1.51 0.05 0.00 -0.15 0.00 0.00 55.06 57.08 3gxg s HIS 77 Cb -0.39 -3.45 0.77 0.00 1.11 0.00 0.00 32.58 30.62 3gxg s HIS 77 CO 0.49 -1.92 2.04 -1.35 -0.85 0.00 0.00 174.74 173.15 3gxg h PRO 78 N 1.47 0.66 -1.26 8.40 0.11 -1.94 -3.37 132.00 136.07 3gxg h PRO 78 Ca -0.50 -0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.22 3gxg h PRO 78 Cb 1.27 -0.15 -0.25 0.00 0.11 0.00 0.00 31.00 31.98 3gxg h PRO 78 CO 0.58 0.43 -0.73 -3.47 -0.21 0.00 0.00 178.00 174.61 3gxg n ASP 79 N -4.46 -1.92 -0.04 -2.05 -0.08 -1.26 -4.99 116.55 101.75 3gxg n ASP 79 Ca 0.04 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.48 3gxg n ASP 79 Cb 0.05 0.77 0.31 0.00 2.34 0.00 0.00 41.12 44.59 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 4.70 0.62 -0.89 -0.67 4.81 -1.99 -2.74 114.58 118.42 3gxg h GLU 80 Ca 0.06 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3gxg h GLU 80 Cb 1.00 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 3gxg h GLU 80 CO 0.26 0.55 0.55 0.78 -0.73 0.00 0.00 179.01 180.42 3gxg h GLY 81 N 0.81 1.35 0.96 1.92 0.00 -1.96 -0.91 103.07 105.25 3gxg h GLY 81 Ca 0.14 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.09 3gxg h GLY 81 CO -0.01 0.26 0.33 1.70 0.00 0.00 0.00 176.54 178.82 3gxg h LYS 82 N 0.99 0.65 -0.83 4.80 3.64 -1.92 -0.10 116.57 123.80 3gxg h LYS 82 Ca 0.39 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3gxg h LYS 82 Cb 0.21 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3gxg h LYS 82 CO -0.19 0.43 0.49 -0.07 -2.27 0.00 0.00 179.45 177.85 3gxg h LEU 83 N 0.67 1.01 -0.08 5.20 3.38 -1.16 0.93 115.31 125.26 3gxg h LEU 83 Ca 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3gxg h LEU 83 Cb -0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3gxg h LEU 83 CO -0.06 0.79 -0.15 0.58 0.09 0.00 0.00 178.44 179.69 3gxg h VAL 84 N 1.15 1.40 -0.23 1.22 2.07 -0.99 -2.30 116.25 118.57 3gxg h VAL 84 Ca 0.30 -1.44 -0.16 0.00 0.82 0.00 0.00 66.70 66.22 3gxg h VAL 84 Cb -0.03 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3gxg h VAL 84 CO -0.05 0.41 -0.51 0.71 0.02 0.00 0.00 177.57 178.14 3gxg h THR 85 N -0.22 1.30 0.00 2.57 1.35 -0.93 -2.66 112.91 114.32 3gxg h THR 85 Ca 0.00 -1.73 -0.04 0.00 -0.55 0.00 0.00 66.41 64.10 3gxg h THR 85 Cb 0.73 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 3gxg h THR 85 CO 0.03 0.55 -0.18 1.56 -0.25 0.00 0.00 175.52 177.23 3gxg h GLN 86 N 0.52 0.00 -0.18 4.72 4.20 -0.84 -0.81 115.11 122.72 3gxg h GLN 86 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3gxg h GLN 86 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3gxg h GLN 86 CO 0.10 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 3gxg n ALA 87 N -2.33 2.49 -1.15 3.87 0.00 -0.87 -5.06 120.51 117.47 3gxg n ALA 87 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3gxg n ALA 87 Cb 0.29 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.87 0.79 3.35 0.00 0.00 -0.31 -4.74 105.19 105.14 3gxg n GLY 88 Ca 0.09 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.61 3.11 -0.07 1.61 1.01 -0.42 -5.00 116.67 114.31 3gxg s ASP 90 Ca 0.00 -0.66 0.05 0.00 0.71 0.00 0.00 52.55 52.64 3gxg s ASP 90 Cb 0.00 -0.24 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 3gxg s ASP 90 CO 0.00 0.20 -0.21 -0.47 0.21 0.00 0.00 175.17 174.89 3gxg s TYR 91 N -0.95 2.54 -0.06 4.23 5.04 -1.26 -1.20 117.35 125.68 3gxg s TYR 91 Ca 0.12 -0.61 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 3gxg s TYR 91 Cb -0.10 -1.64 0.01 0.00 0.35 0.00 0.00 41.96 40.59 3gxg s TYR 91 CO 0.04 -0.14 -0.11 0.08 -1.34 0.00 0.00 175.55 174.08 3gxg s VAL 92 N -0.20 1.06 -0.20 3.14 1.01 -0.41 -4.98 120.40 119.83 3gxg s VAL 92 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3gxg s VAL 92 Cb -0.13 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3gxg s VAL 92 CO 0.03 0.34 -0.14 -0.47 0.00 0.00 0.00 175.10 174.87 3gxg s TYR 93 N 0.68 2.86 -0.47 5.22 5.04 -1.26 -1.07 117.35 128.34 3gxg s TYR 93 Ca -0.14 -1.37 0.04 0.00 -2.44 0.00 0.00 57.07 53.15 3gxg s TYR 93 Cb -0.16 -1.99 0.16 0.00 0.35 0.00 0.00 41.96 40.32 3gxg s TYR 93 CO 0.03 -0.71 0.35 0.42 -1.34 0.00 0.00 175.55 174.31 3gxg s ILE 94 N 1.36 0.97 0.03 3.14 1.01 -0.18 -4.99 121.20 122.54 3gxg s ILE 94 Ca 0.05 -2.90 -0.30 0.00 0.00 0.00 0.00 60.65 57.50 3gxg s ILE 94 Cb -0.14 -1.66 -0.07 0.00 0.01 0.00 0.00 42.46 40.60 3gxg s ILE 94 CO -0.09 -1.13 1.53 -2.16 0.00 0.00 0.00 174.94 173.08 3gxg s PRO 95 N -0.14 4.24 -0.20 2.79 0.04 -1.26 -4.07 135.00 136.40 3gxg s PRO 95 Ca 0.28 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.45 3gxg s PRO 95 Cb -0.03 -3.58 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 3gxg s PRO 95 CO -0.15 -0.65 -0.10 0.08 0.04 0.00 0.00 177.00 176.21 3gxg s VAL 96 N 2.51 2.94 -0.25 -0.36 1.01 -0.05 -4.91 120.40 121.30 3gxg s VAL 96 Ca 0.69 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3gxg s VAL 96 Cb -0.36 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3gxg s VAL 96 CO 0.29 0.47 1.42 -0.62 0.00 0.00 0.00 175.10 176.67 3gxg s ASP 97 N 1.27 6.60 0.38 3.32 -1.08 -1.26 -4.51 116.67 121.38 3gxg s ASP 97 Ca 0.03 1.44 0.11 0.00 -0.52 0.00 0.00 52.55 53.61 3gxg s ASP 97 Cb -0.14 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.66 3gxg s ASP 97 CO -0.05 -1.10 1.89 -0.25 0.52 0.00 0.00 175.17 176.18 3gxg h TRP 98 N 9.69 0.72 -0.19 -5.34 2.91 -1.97 -0.46 115.95 121.31 3gxg h TRP 98 Ca -0.29 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.75 3gxg h TRP 98 Cb 1.12 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 3gxg h TRP 98 CO 0.88 0.28 0.00 1.04 -1.03 0.00 0.00 178.44 179.61 3gxg n GLN 99 N -4.53 1.82 -2.74 2.65 6.02 -1.26 -4.41 117.38 114.93 3gxg n GLN 99 Ca 0.16 -1.24 -0.09 0.00 -0.01 0.00 0.00 57.00 55.82 3gxg n GLN 99 Cb 0.47 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.40 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 0.47 -2.45 -4.76 1.08 5.15 -0.24 -5.08 115.26 109.43 3gxg n ASN 100 Ca 0.16 -3.59 -0.38 0.00 -0.60 0.00 0.00 54.58 50.17 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 3.47 0.06 1.20 0.04 -0.83 -4.42 135.00 134.86 3gxg s PRO 101 Ca 0.25 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.46 3gxg s PRO 101 Cb 0.27 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3gxg s PRO 101 CO -0.10 -0.89 -0.13 0.15 0.04 0.00 0.00 177.00 176.07 3gxg s LYS 102 N -2.71 0.82 0.43 4.56 1.02 -1.26 -4.99 119.74 117.61 3gxg s LYS 102 Ca 0.66 -0.86 0.10 0.00 0.02 0.00 0.00 55.97 55.89 3gxg s LYS 102 Cb -0.37 -0.81 0.95 0.00 -0.52 0.00 0.00 37.83 37.07 3gxg s LYS 102 CO 0.45 0.19 2.04 0.28 -0.92 0.00 0.00 175.35 177.39 3gxg h VAL 103 N 4.39 1.02 0.00 3.17 2.07 -1.96 -0.75 116.25 124.19 3gxg h VAL 103 Ca -0.39 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3gxg h VAL 103 Cb 1.19 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3gxg h VAL 103 CO 0.42 0.09 -0.11 1.05 0.02 0.00 0.00 177.57 179.03 3gxg h GLU 104 N 0.47 0.00 -0.37 1.57 4.11 -1.99 -0.05 114.58 118.32 3gxg h GLU 104 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.58 3gxg h GLU 104 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3gxg h GLU 104 CO -0.05 0.11 0.08 -0.44 0.07 0.00 0.00 179.01 178.78 3gxg h ASP 105 N 0.00 0.57 -0.53 3.06 3.32 -1.54 -0.67 116.42 120.62 3gxg h ASP 105 Ca -0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 3gxg h ASP 105 Cb 0.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3gxg h ASP 105 CO 0.01 0.67 0.13 0.58 -1.72 0.00 0.00 179.24 178.91 3gxg h VAL 106 N 0.45 1.24 -0.68 -1.35 2.07 -1.20 -1.00 116.25 115.78 3gxg h VAL 106 Ca 0.11 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3gxg h VAL 106 Cb 0.33 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3gxg h VAL 106 CO 0.00 0.32 0.27 -0.08 0.02 0.00 0.00 177.57 178.11 3gxg h GLU 107 N 0.75 0.99 -0.82 1.57 4.57 -0.95 0.64 114.58 121.34 3gxg h GLU 107 Ca 0.17 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3gxg h GLU 107 Cb 0.34 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 3gxg h GLU 107 CO 0.00 0.81 0.37 0.00 -1.18 0.00 0.00 179.01 179.01 3gxg h ALA 108 N 1.32 1.06 -0.38 2.92 0.00 -0.76 0.71 119.26 124.14 3gxg h ALA 108 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gxg h ALA 108 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gxg h ALA 108 CO -0.02 0.64 0.11 0.35 0.00 0.00 0.00 179.25 180.33 3gxg h PHE 109 N 1.17 0.61 -0.79 0.00 3.57 -0.50 -0.99 116.94 120.02 3gxg h PHE 109 Ca 0.28 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3gxg h PHE 109 Cb 0.15 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3gxg h PHE 109 CO 0.02 0.59 0.44 0.74 -2.23 0.00 0.00 178.31 177.86 3gxg h PHE 110 N 0.46 1.07 -0.65 0.41 0.04 -0.37 -2.46 116.94 115.45 3gxg h PHE 110 Ca 0.12 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 3gxg h PHE 110 Cb 0.27 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3gxg h PHE 110 CO 0.01 0.75 0.25 0.00 -0.60 0.00 0.00 178.31 178.72 3gxg h ALA 111 N 1.23 0.85 0.00 2.45 0.00 -0.66 -1.17 119.26 121.95 3gxg h ALA 111 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gxg h ALA 111 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gxg h ALA 111 CO -0.05 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3gxg n ALA 112 N -2.39 1.51 0.00 0.00 0.00 -0.39 -1.74 120.51 117.49 3gxg n ALA 112 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3gxg n ALA 112 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.00 0.00 8.00 -0.44 -2.83 116.55 122.10 3gxg n ASP 114 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 3gxg n ASP 114 Cb 0.05 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.87 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 0.33 -1.81 -1.24 1.13 -0.71 -3.89 117.38 111.20 3gxg n GLN 115 Ca 0.00 -0.01 -0.03 0.00 -1.94 0.00 0.00 57.00 55.02 3gxg n GLN 115 Cb 0.00 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 28.92 3gxg n GLN 115 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3gxg n HIS 116 N -1.33 1.02 -1.69 1.08 8.25 -1.13 -5.09 115.22 116.34 3gxg n HIS 116 Ca 0.12 -1.60 -0.44 0.00 -0.26 0.00 0.00 57.72 55.54 3gxg n HIS 116 Cb 0.27 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.46 2.21 -0.81 -0.41 5.02 -1.25 -1.85 118.16 120.60 3gxg n LYS 117 Ca 0.18 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3gxg n LYS 117 Cb 0.91 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 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 2.46 1.09 3.92 0.72 0.00 -1.26 -5.02 105.19 107.09 3gxg n GLY 118 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.11 3.55 -0.10 1.61 -0.14 -0.77 -5.08 119.74 118.70 3gxg s LYS 119 Ca 0.00 -0.25 -0.28 0.00 -1.36 0.00 0.00 55.97 54.08 3gxg s LYS 119 Cb 0.00 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.33 3gxg s LYS 119 CO 0.00 0.37 0.95 -0.51 -0.76 0.00 0.00 175.35 175.41 3gxg s ASP 120 N -3.08 7.20 -0.03 2.83 1.01 -1.26 -4.87 116.67 118.46 3gxg s ASP 120 Ca 0.40 1.47 0.07 0.00 0.71 0.00 0.00 52.55 55.19 3gxg s ASP 120 Cb -0.11 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 3gxg s ASP 120 CO 0.29 -0.39 -0.23 -0.69 0.21 0.00 0.00 175.17 174.36 3gxg s VAL 121 N 1.80 1.87 -0.18 -1.27 1.01 -0.18 -0.33 120.40 123.12 3gxg s VAL 121 Ca 0.46 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3gxg s VAL 121 Cb -0.18 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3gxg s VAL 121 CO 0.18 0.53 0.00 -0.22 0.00 0.00 0.00 175.10 175.59 3gxg s LEU 122 N -0.40 3.40 -0.18 3.92 2.96 -0.15 -0.63 118.68 127.60 3gxg s LEU 122 Ca 0.05 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3gxg s LEU 122 Cb -0.10 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3gxg s LEU 122 CO 0.01 0.13 -0.04 0.54 -1.32 0.00 0.00 176.35 175.66 3gxg s VAL 123 N 0.60 3.65 0.15 1.68 0.11 -0.19 -0.25 120.40 126.14 3gxg s VAL 123 Ca -0.00 -0.43 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3gxg s VAL 123 Cb -0.14 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 3gxg s VAL 123 CO 0.02 0.46 0.06 -1.38 -3.33 0.00 0.00 175.10 170.94 3gxg s HIS 124 N 0.79 0.99 0.00 1.54 -0.00 -0.07 -1.66 115.29 116.89 3gxg s HIS 124 Ca -0.01 -1.23 0.00 0.00 -0.00 0.00 0.00 55.06 53.82 3gxg s HIS 124 Cb -0.15 -0.55 0.00 0.00 -0.00 0.00 0.00 32.58 31.89 3gxg s HIS 124 CO 0.02 -0.49 0.00 0.00 -0.00 0.00 0.00 174.74 174.27 3gxg h LEU 126 N 0.00 0.00 -2.22 0.00 5.85 -1.85 -1.26 115.31 115.82 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 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gxg h LEU 126 CO 0.00 1.32 -0.33 0.00 -0.34 0.00 0.00 178.44 179.08 3gxg n ALA 127 N -3.15 2.01 -1.43 1.25 0.00 -1.26 -0.93 120.51 117.01 3gxg n ALA 127 Ca -0.24 -1.39 -0.10 0.00 0.00 0.00 0.00 53.44 51.71 3gxg n ALA 127 Cb 0.61 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.38 -4.06 0.03 0.00 5.15 -1.24 -4.67 115.26 110.08 3gxg n ASN 128 Ca 0.04 0.21 -0.02 0.00 -0.60 0.00 0.00 54.58 54.21 3gxg n ASN 128 Cb 0.66 -2.57 -0.01 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 -0.11 -0.38 1.20 -1.99 -1.90 -2.92 116.97 110.87 3gxg h TYR 129 Ca -0.21 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.59 3gxg h TYR 129 Cb 0.73 0.04 -0.07 0.00 2.00 0.00 0.00 36.73 39.43 3gxg h TYR 129 CO 0.28 -0.07 -0.06 0.00 -0.00 0.00 0.00 178.16 178.31 3gxg h ARG 130 N -0.54 0.04 -0.57 4.88 3.08 -1.96 -2.48 114.38 116.82 3gxg h ARG 130 Ca -0.01 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3gxg h ARG 130 Cb 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3gxg h ARG 130 CO 0.02 0.02 0.12 0.00 -1.07 0.00 0.00 179.97 179.07 3gxg h ALA 131 N 1.36 0.76 -0.28 0.04 0.00 -1.86 -1.56 119.26 117.71 3gxg h ALA 131 Ca 0.18 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3gxg h ALA 131 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gxg h ALA 131 CO -0.36 0.48 -0.25 0.66 0.00 0.00 0.00 179.25 179.78 3gxg h SER 132 N 0.83 0.55 -0.46 0.00 4.64 -1.40 0.30 113.55 118.01 3gxg h SER 132 Ca 0.18 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3gxg h SER 132 Cb 0.37 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3gxg h SER 132 CO 0.01 0.79 0.13 0.00 -0.87 0.00 0.00 176.83 176.88 3gxg h ALA 133 N 1.25 0.60 -0.36 5.18 0.00 -1.25 -0.98 119.26 123.71 3gxg h ALA 133 Ca 0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3gxg h ALA 133 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gxg h ALA 133 CO 0.05 0.27 -0.32 0.74 0.00 0.00 0.00 179.25 180.00 3gxg h PHE 134 N 0.61 1.01 -0.55 0.00 -1.00 -1.12 -1.09 116.94 114.79 3gxg h PHE 134 Ca 0.15 -0.29 0.02 0.00 2.81 0.00 0.00 57.97 60.65 3gxg h PHE 134 Cb 0.30 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 3gxg h PHE 134 CO 0.02 1.09 0.34 0.00 -1.61 0.00 0.00 178.31 178.14 3gxg h ALA 135 N 0.76 0.71 -0.03 2.45 0.00 -0.90 -1.02 119.26 121.23 3gxg h ALA 135 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3gxg h ALA 135 Cb 0.90 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3gxg h ALA 135 CO 0.08 0.08 -0.23 -0.92 0.00 0.00 0.00 179.25 178.26 3gxg h TYR 136 N 0.69 -0.62 -0.83 0.00 3.20 -0.92 -0.92 116.97 117.56 3gxg h TYR 136 Ca 0.22 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3gxg h TYR 136 Cb -0.01 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3gxg h TYR 136 CO -0.05 -0.32 0.47 -0.07 -1.64 0.00 0.00 178.16 176.54 3gxg h LEU 137 N -0.35 1.03 -0.18 2.82 3.38 -0.91 -0.65 115.31 120.44 3gxg h LEU 137 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gxg h LEU 137 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gxg h LEU 137 CO -0.23 0.82 0.07 0.22 0.09 0.00 0.00 178.44 179.41 3gxg h TYR 138 N 1.16 0.28 -0.62 1.13 3.20 -0.90 -1.20 116.97 120.01 3gxg h TYR 138 Ca 0.29 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3gxg h TYR 138 Cb 0.01 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3gxg h TYR 138 CO 0.01 0.34 0.28 1.96 -1.64 0.00 0.00 178.16 179.11 3gxg h GLN 139 N 0.14 0.89 0.32 1.82 4.20 -0.87 -0.33 115.11 121.28 3gxg h GLN 139 Ca 0.06 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3gxg h GLN 139 Cb 0.18 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3gxg h GLN 139 CO -0.00 0.70 -0.15 1.25 -0.67 0.00 0.00 178.83 179.95 3gxg h LEU 140 N 0.89 -0.36 -1.05 1.46 5.85 -0.91 -0.51 115.31 120.68 3gxg h LEU 140 Ca 0.22 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3gxg h LEU 140 Cb 0.12 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 3gxg h LEU 140 CO -0.03 -0.25 0.63 0.50 -0.34 0.00 0.00 178.44 178.95 3gxg h LYS 141 N -0.43 1.07 0.00 1.25 3.64 -0.80 -1.67 116.57 119.64 3gxg h LYS 141 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3gxg h LYS 141 Cb 0.33 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gxg h LYS 141 CO 0.07 0.71 0.00 1.04 -2.27 0.00 0.00 179.45 179.00 3gxg n GLN 142 N -4.52 0.56 -1.27 1.90 1.13 -0.17 -4.88 117.38 110.13 3gxg n GLN 142 Ca 0.16 0.03 -0.02 0.00 -1.94 0.00 0.00 57.00 55.23 3gxg n GLN 142 Cb 0.22 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.07 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 0.63 0.47 0.26 1.08 0.00 -0.63 -4.94 105.19 102.08 3gxg n GLY 143 Ca 0.15 -0.96 0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.56 1.01 -3.80 1.61 6.02 -0.23 -4.97 117.38 114.47 3gxg n GLN 144 Ca -0.02 -0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 56.10 3gxg n GLN 144 Cb 0.16 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.53 -4.51 -4.75 1.08 5.15 -1.25 -4.91 115.26 105.52 3gxg n ASN 145 Ca 0.15 -1.08 -0.38 0.00 -0.60 0.00 0.00 54.58 52.67 3gxg n ASN 145 Cb 0.32 -2.96 0.03 0.00 -0.53 0.00 0.00 39.78 36.64 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 -6.37 3.28 0.56 1.20 0.04 -1.26 -5.06 135.00 127.40 3gxg s PRO 146 Ca 0.43 2.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.55 3gxg s PRO 146 Cb -0.17 -2.30 0.13 0.00 0.04 0.00 0.00 34.50 32.19 3gxg s PRO 146 CO 0.89 -1.05 0.77 -1.71 0.04 0.00 0.00 177.00 175.94 3gxg n ASN 147 N -0.89 0.29 0.00 6.66 2.85 -1.26 -4.99 115.26 117.92 3gxg n ASN 147 Ca 0.10 -1.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.15 3gxg n ASN 147 Cb 0.45 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.91 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 -3.37 0.00 0.04 5.20 0.00 -1.26 -0.33 120.51 120.79 3gxg n ALA 149 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 3gxg n ALA 149 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 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 0.39 -0.89 0.00 1.08 -2.03 -3.15 115.11 110.50 3gxg h GLN 150 Ca 0.00 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 3gxg h GLN 150 Cb 0.00 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3gxg h GLN 150 CO 0.00 1.20 0.00 2.41 -0.95 0.00 0.00 178.83 181.49 3gxg n THR 151 N -4.13 0.05 0.00 -0.54 -1.04 0.55 -4.84 114.28 104.34 3gxg n THR 151 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3gxg n THR 151 Cb 0.78 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.30 12.58 -1.04 -1.19 -4.85 114.28 120.75 3gxg n THR 153 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3gxg n THR 153 Cb 0.04 0.00 1.04 0.00 -1.82 0.00 0.00 70.33 69.59 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 -1.61 132.00 125.80 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 -1.93 -3.47 115.95 115.26 3gxg h TRP 155 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3gxg h TRP 155 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 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 -2.43 0.00 -1.31 -3.49 0.23 -0.61 -0.78 115.26 106.87 3gxg n ASN 156 Ca 0.05 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.18 3gxg n ASN 156 Cb 0.44 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.43 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 1.52 3.85 0.06 0.53 8.00 -1.26 -4.65 116.55 124.60 3gxg n ASP 157 Ca 0.00 -2.30 0.13 0.00 0.71 0.00 0.00 54.79 53.33 3gxg n ASP 157 Cb 0.00 -0.50 0.31 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.96 0.21 -0.27 -1.24 1.02 0.04 -4.35 120.64 117.01 3gxg n GLU 158 Ca 0.21 0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.50 3gxg n GLU 158 Cb 0.71 -1.67 0.19 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.41 -1.91 -4.62 5.85 -1.83 -0.59 115.31 112.63 3gxg h LEU 159 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3gxg h LEU 159 Cb 0.68 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3gxg h LEU 159 CO 0.00 0.19 -0.11 0.00 -0.34 0.00 0.00 178.44 178.17 3gxg h ALA 160 N 1.52 1.25 0.00 1.25 0.00 -1.98 -1.63 119.26 119.66 3gxg h ALA 160 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gxg h ALA 160 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gxg h ALA 160 CO -0.35 0.14 0.00 -0.89 0.00 0.00 0.00 179.25 178.15 3gxg n ILE 161 N -3.58 0.20 -3.81 0.00 2.08 -0.23 -4.14 119.36 109.87 3gxg n ILE 161 Ca -0.02 0.05 -0.28 0.00 0.56 0.00 0.00 62.75 63.07 3gxg n ILE 161 Cb 0.24 -0.61 -0.11 0.00 -0.75 0.00 0.00 39.64 38.40 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 -1.41 3.12 0.13 1.39 4.01 -0.61 -4.97 117.16 118.81 3gxg n TYR 162 Ca 0.09 -4.25 0.15 0.00 -0.16 0.00 0.00 57.90 53.73 3gxg n TYR 162 Cb 0.26 -0.58 0.70 0.00 -0.31 0.00 0.00 39.34 39.42 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 5.22 0.00 -0.26 -0.72 0.13 -1.75 -0.26 132.00 134.35 3gxg h PRO 163 Ca 0.16 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 0.72 0.00 -0.21 0.87 -0.23 0.00 0.00 178.00 179.15 3gxg h LYS 164 N 0.00 0.47 0.18 0.86 1.57 -1.93 0.06 116.57 117.78 3gxg h LYS 164 Ca 0.13 -0.16 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 3gxg h LYS 164 Cb 0.55 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.84 3gxg h LYS 164 CO -0.00 0.66 -1.33 -1.49 -0.57 0.00 0.00 179.45 176.71 3gxg h TRP 165 N 0.43 0.78 -0.96 -1.35 4.06 -1.43 -1.82 115.95 115.65 3gxg h TRP 165 Ca 0.07 -0.55 -0.00 0.00 2.06 0.00 0.00 58.89 60.46 3gxg h TRP 165 Cb 0.60 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.68 3gxg h TRP 165 CO 0.02 1.42 0.59 0.37 -3.56 0.00 0.00 178.44 177.28 3gxg h GLN 166 N 0.14 1.29 -0.33 0.49 4.15 -1.07 -0.70 115.11 119.09 3gxg h GLN 166 Ca -0.19 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.10 3gxg h GLN 166 Cb 2.03 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 3gxg h GLN 166 CO 0.24 0.89 0.11 0.00 -1.93 0.00 0.00 178.83 178.14 3gxg h ALA 167 N 1.33 0.43 -0.07 3.38 0.00 -0.97 -1.26 119.26 122.10 3gxg h ALA 167 Ca 0.35 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3gxg h ALA 167 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gxg h ALA 167 CO -0.07 0.06 0.02 1.25 0.00 0.00 0.00 179.25 180.50 3gxg h LEU 168 N 0.38 0.01 -1.06 0.00 5.85 -0.97 0.27 115.31 119.79 3gxg h LEU 168 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3gxg h LEU 168 Cb 0.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3gxg h LEU 168 CO -0.00 0.02 0.46 -0.07 -0.34 0.00 0.00 178.44 178.50 3gxg h LEU 169 N 0.05 0.99 -0.15 2.25 3.38 -1.04 -1.14 115.31 119.64 3gxg h LEU 169 Ca 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3gxg h LEU 169 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3gxg h LEU 169 CO -0.04 0.78 0.00 0.74 0.09 0.00 0.00 178.44 180.02 3gxg h THR 170 N 1.12 1.25 -0.46 0.22 2.02 -0.91 -0.67 112.91 115.48 3gxg h THR 170 Ca 0.29 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 3gxg h THR 170 Cb 0.00 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3gxg h THR 170 CO -0.05 0.24 -0.03 -0.08 0.37 0.00 0.00 175.52 175.97 3gxg h GLU 171 N 0.02 0.83 -0.22 6.66 4.81 -0.72 -0.99 114.58 124.96 3gxg h GLU 171 Ca 0.04 -0.28 -0.19 0.00 -0.13 0.00 0.00 59.36 58.81 3gxg h GLU 171 Cb 0.37 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3gxg h GLU 171 CO 0.01 0.90 -0.59 0.28 -0.73 0.00 0.00 179.01 178.88 3gxg h VAL 172 N 0.68 1.29 0.00 0.32 2.07 -1.23 -2.93 116.25 116.44 3gxg h VAL 172 Ca 0.13 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 3gxg h VAL 172 Cb 0.55 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3gxg h VAL 172 CO 0.03 0.57 -0.03 0.28 0.02 0.00 0.00 177.57 178.44 3gxg h SER 173 N 0.54 0.00 0.07 0.57 0.02 -1.05 -2.07 113.55 111.62 3gxg h SER 173 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3gxg h SER 173 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 3gxg h SER 173 CO 0.13 0.03 -0.03 0.00 -1.14 0.00 0.00 176.83 175.81 3gxg h ALA 174 N 1.97 1.59 0.00 3.77 0.00 -0.98 -2.55 119.26 123.06 3gxg h ALA 174 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gxg h ALA 174 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gxg h ALA 174 CO 0.00 0.04 0.00 0.87 0.00 0.00 0.00 179.25 180.16 3gxg h LYS 175 N 0.00 0.00 -5.63 0.00 1.57 -1.44 -3.47 116.57 107.60 3gxg h LYS 175 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3gxg h LYS 175 Cb 0.07 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.24 3gxg h LYS 175 CO 0.00 0.00 -0.67 0.71 -0.57 0.00 0.00 179.45 178.92 3gxg s TYR 176 N -3.30 2.11 0.00 -1.35 2.02 -0.96 -5.14 117.35 110.73 3gxg s TYR 176 Ca 0.06 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 3gxg s TYR 176 Cb 0.08 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 3gxg s TYR 176 CO 0.58 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 175.34 3gxg n GLY 177 N -0.66 1.46 0.00 0.71 0.00 -1.26 -4.99 105.19 100.44 3gxg n GLY 177 Ca -0.05 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3gxg n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74