#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxh h ILE 27 N 0.00 1.23 -0.18 0.44 2.04 -1.98 -1.27 117.51 117.78 3gxh h ILE 27 Ca 0.00 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 3gxh h ILE 27 Cb 0.00 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3gxh h ILE 27 CO 0.00 0.27 -0.17 1.05 0.00 0.00 0.00 178.15 179.30 3gxh h GLU 28 N 0.44 0.31 0.00 2.37 4.11 -2.03 -2.26 114.58 117.52 3gxh h GLU 28 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3gxh h GLU 28 Cb 0.32 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3gxh h GLU 28 CO 0.00 0.47 -0.06 0.27 0.07 0.00 0.00 179.01 179.77 3gxh n ASN 29 N -4.22 0.38 0.03 3.06 6.94 -0.57 -3.44 115.26 117.44 3gxh n ASN 29 Ca -0.00 0.47 0.11 0.00 -0.02 0.00 0.00 54.58 55.14 3gxh n ASN 29 Cb 0.31 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 3gxh n ASN 29 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3gxh n LEU 30 N -1.83 0.59 0.28 -4.53 4.77 -0.69 -4.58 117.00 111.03 3gxh n LEU 30 Ca 0.06 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3gxh n LEU 30 Cb 0.38 -0.08 0.81 0.00 -2.33 0.00 0.00 43.42 42.19 3gxh n LEU 30 CO 0.29 0.02 1.09 -0.61 -1.33 0.00 0.00 177.39 176.86 3gxh h GLN 31 N 0.00 0.00 -0.01 3.23 -0.00 -1.52 -1.97 115.11 114.83 3gxh h GLN 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3gxh h GLN 31 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.25 3gxh h GLN 31 CO 0.00 0.02 -0.09 0.41 0.00 0.00 0.00 178.83 179.16 3gxh n GLY 32 N -1.34 -0.20 3.73 2.39 0.00 -1.26 -4.89 105.19 103.61 3gxh n GLY 32 Ca -0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 3gxh n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gxh s ILE 33 N -2.18 3.96 0.16 -0.61 1.01 -0.74 -4.94 121.20 117.85 3gxh s ILE 33 Ca 0.33 1.55 -0.32 0.00 0.00 0.00 0.00 60.65 62.21 3gxh s ILE 33 Cb 0.20 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 3gxh s ILE 33 CO 0.40 0.20 1.73 -1.14 0.00 0.00 0.00 174.94 176.13 3gxh n ARG 34 N 3.06 2.59 -3.24 2.79 0.63 -1.26 -3.28 116.66 117.95 3gxh n ARG 34 Ca 0.05 0.94 -0.23 0.00 -0.92 0.00 0.00 57.85 57.69 3gxh n ARG 34 Cb 0.46 -2.78 0.03 0.00 0.45 0.00 0.00 32.46 30.62 3gxh n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gxh n ALA 35 N 4.43 -1.05 -1.90 5.13 0.00 -1.26 -0.32 120.51 125.54 3gxh n ALA 35 Ca 0.17 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 3gxh n ALA 35 Cb 0.34 -3.73 -0.06 0.00 0.00 0.00 0.00 19.45 16.00 3gxh n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gxh s LEU 36 N -6.72 4.61 -0.03 0.00 0.20 -1.20 -3.62 118.68 111.91 3gxh s LEU 36 Ca 0.38 1.90 -0.03 0.00 0.69 0.00 0.00 54.13 57.07 3gxh s LEU 36 Cb -0.18 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 41.99 3gxh s LEU 36 CO 0.47 0.10 0.08 -1.58 -0.29 0.00 0.00 176.35 175.13 3gxh s GLN 37 N -0.84 0.13 -0.16 1.98 0.74 0.21 -4.99 119.66 116.72 3gxh s GLN 37 Ca 0.43 0.05 -0.24 0.00 0.05 0.00 0.00 55.36 55.64 3gxh s GLN 37 Cb -0.25 0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.90 3gxh s GLN 37 CO 0.31 -0.02 0.78 -1.14 -0.55 0.00 0.00 175.29 174.68 3gxh s GLN 38 N -0.11 4.30 -0.14 1.67 0.74 -1.26 -1.19 119.66 123.66 3gxh s GLN 38 Ca -0.02 0.93 0.16 0.00 0.05 0.00 0.00 55.36 56.49 3gxh s GLN 38 Cb -0.01 -3.56 -0.23 0.00 1.10 0.00 0.00 33.01 30.31 3gxh s GLN 38 CO 0.00 -0.27 0.12 1.04 -0.55 0.00 0.00 175.29 175.64 3gxh n GLN 39 N 5.03 1.06 -3.83 1.67 1.13 0.67 -4.95 117.38 118.17 3gxh n GLN 39 Ca 0.03 -0.04 -0.06 0.00 -1.94 0.00 0.00 57.00 54.99 3gxh n GLN 39 Cb 0.49 -1.44 -0.00 0.00 0.11 0.00 0.00 30.24 29.39 3gxh n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gxh s ALA 40 N -2.58 -1.24 0.47 -1.58 0.00 -0.68 -4.96 121.76 111.20 3gxh s ALA 40 Ca -0.08 -0.32 0.17 0.00 0.00 0.00 0.00 51.96 51.72 3gxh s ALA 40 Cb 0.06 0.75 1.17 0.00 0.00 0.00 0.00 23.12 25.11 3gxh s ALA 40 CO 0.72 -1.03 2.06 -1.35 0.00 0.00 0.00 175.76 176.16 3gxh h PRO 41 N 2.00 0.00 -0.15 0.00 0.11 -2.02 -2.08 132.00 129.86 3gxh h PRO 41 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3gxh h PRO 41 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3gxh h PRO 41 CO 0.29 0.12 -0.03 1.04 -0.21 0.00 0.00 178.00 179.21 3gxh n GLN 42 N -4.28 2.08 -3.79 1.05 6.02 -1.26 -4.96 117.38 112.24 3gxh n GLN 42 Ca -0.03 -2.78 -0.25 0.00 -0.01 0.00 0.00 57.00 53.94 3gxh n GLN 42 Cb 0.19 -1.69 -0.17 0.00 1.02 0.00 0.00 30.24 29.59 3gxh n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3gxh s LEU 43 N -2.90 0.85 0.08 1.08 2.96 -0.78 -1.08 118.68 118.88 3gxh s LEU 43 Ca 0.38 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3gxh s LEU 43 Cb 0.32 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 3gxh s LEU 43 CO 0.05 -0.21 0.09 -0.76 -1.32 0.00 0.00 176.35 174.20 3gxh s LEU 44 N 1.90 3.85 0.11 -0.68 1.43 0.04 -0.23 118.68 125.09 3gxh s LEU 44 Ca 0.03 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3gxh s LEU 44 Cb -0.13 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3gxh s LEU 44 CO -0.06 0.17 -0.21 -0.94 0.23 0.00 0.00 176.35 175.54 3gxh s SER 45 N -2.41 2.53 0.33 2.29 1.04 -0.33 -1.06 113.70 116.08 3gxh s SER 45 Ca 0.30 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.86 3gxh s SER 45 Cb -0.12 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.90 3gxh s SER 45 CO 0.23 0.05 0.73 -0.94 0.98 0.00 0.00 173.24 174.28 3gxh s SER 46 N -1.96 -0.06 0.05 7.02 1.04 -0.71 -0.62 113.70 118.46 3gxh s SER 46 Ca 0.07 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3gxh s SER 46 Cb -0.10 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3gxh s SER 46 CO 0.04 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.37 3gxh n GLY 47 N -0.50 -0.81 3.61 7.32 0.00 0.57 -1.95 105.19 113.43 3gxh n GLY 47 Ca -0.06 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 3gxh n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxh s LEU 48 N 0.00 3.97 0.43 0.99 2.96 -0.51 -4.43 118.68 122.09 3gxh s LEU 48 Ca 0.00 0.68 -0.25 0.00 -0.22 0.00 0.00 54.13 54.34 3gxh s LEU 48 Cb 0.00 -3.32 -0.08 0.00 0.50 0.00 0.00 46.19 43.29 3gxh s LEU 48 CO 0.00 -0.86 1.23 -2.84 -1.32 0.00 0.00 176.35 172.56 3gxh s PRO 49 N 3.52 3.86 0.92 0.98 0.02 -1.26 -4.65 135.00 138.38 3gxh s PRO 49 Ca 0.40 1.96 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 3gxh s PRO 49 Cb -0.12 -2.59 0.16 0.00 0.02 0.00 0.00 34.50 31.97 3gxh s PRO 49 CO 0.18 -0.52 1.27 0.54 -0.33 0.00 0.00 177.00 178.14 3gxh s ASN 50 N -1.05 3.50 0.13 2.53 2.20 -1.26 -4.91 114.94 116.08 3gxh s ASN 50 Ca 0.60 0.46 -0.19 0.00 -0.94 0.00 0.00 52.86 52.79 3gxh s ASN 50 Cb -0.33 -0.66 -0.02 0.00 -2.00 0.00 0.00 41.25 38.24 3gxh s ASN 50 CO 0.42 -2.51 1.74 -0.08 -2.94 0.00 0.00 177.10 173.73 3gxh h GLU 51 N -1.48 0.15 -0.05 3.55 4.81 -2.02 -1.95 114.58 117.59 3gxh h GLU 51 Ca -0.45 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3gxh h GLU 51 Cb 1.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3gxh h GLU 51 CO 0.47 0.10 -0.13 -0.56 -0.73 0.00 0.00 179.01 178.16 3gxh h GLN 52 N 0.15 0.08 0.00 1.92 -0.00 -2.01 -1.71 115.11 113.53 3gxh h GLN 52 Ca 0.10 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.72 3gxh h GLN 52 Cb 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.55 3gxh h GLN 52 CO -0.12 0.21 -0.10 1.96 -0.00 0.00 0.00 178.83 180.78 3gxh h GLN 53 N 0.07 0.00 -0.13 0.06 4.20 -1.72 -1.79 115.11 115.81 3gxh h GLN 53 Ca 0.02 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3gxh h GLN 53 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3gxh h GLN 53 CO 0.02 0.10 -0.28 0.74 -0.67 0.00 0.00 178.83 178.74 3gxh h PHE 54 N 0.00 0.28 -0.46 2.96 0.04 -1.16 0.21 116.94 118.81 3gxh h PHE 54 Ca -0.00 -0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 3gxh h PHE 54 Cb 0.50 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 3gxh h PHE 54 CO 0.00 0.51 -0.23 0.77 -0.60 0.00 0.00 178.31 178.76 3gxh h SER 55 N 0.22 0.99 -0.69 2.17 0.02 -1.42 -2.29 113.55 112.55 3gxh h SER 55 Ca 0.03 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3gxh h SER 55 Cb 0.61 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3gxh h SER 55 CO 0.04 1.17 0.43 -0.07 -1.14 0.00 0.00 176.83 177.26 3gxh h LEU 56 N 0.83 0.70 -0.88 5.07 3.38 -1.11 -1.15 115.31 122.14 3gxh h LEU 56 Ca 0.10 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3gxh h LEU 56 Cb 0.80 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3gxh h LEU 56 CO 0.07 0.48 0.59 -0.07 0.09 0.00 0.00 178.44 179.59 3gxh h LEU 57 N 0.83 1.01 -0.42 1.67 3.38 -0.67 -0.40 115.31 120.71 3gxh h LEU 57 Ca 0.28 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3gxh h LEU 57 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3gxh h LEU 57 CO -0.11 0.73 0.12 0.50 0.09 0.00 0.00 178.44 179.77 3gxh h LYS 58 N 1.20 0.66 -0.34 1.13 1.63 -0.98 -1.33 116.57 118.54 3gxh h LYS 58 Ca 0.32 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 3gxh h LYS 58 Cb -0.14 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 3gxh h LYS 58 CO -0.07 0.66 0.23 0.37 -3.45 0.00 0.00 179.45 177.19 3gxh h GLN 59 N 0.54 0.39 0.00 1.90 4.15 -0.78 -0.28 115.11 121.04 3gxh h GLN 59 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3gxh h GLN 59 Cb 0.28 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3gxh h GLN 59 CO -0.00 0.26 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 3gxh n ALA 60 N -2.50 2.24 -0.36 3.38 0.00 -0.20 -4.87 120.51 118.19 3gxh n ALA 60 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gxh n ALA 60 Cb 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3gxh n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxh n GLY 61 N 1.11 0.79 3.72 0.00 0.00 -0.11 -4.76 105.19 105.94 3gxh n GLY 61 Ca 0.08 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3gxh n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gxh s VAL 62 N -2.00 3.67 -0.18 1.61 1.01 -0.55 -4.66 120.40 119.30 3gxh s VAL 62 Ca 0.00 1.28 0.11 0.00 0.00 0.00 0.00 61.98 63.36 3gxh s VAL 62 Cb 0.00 -3.82 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 3gxh s VAL 62 CO 0.00 0.14 0.14 0.47 0.00 0.00 0.00 175.10 175.85 3gxh n ASP 63 N 3.33 0.86 -3.82 3.32 8.00 0.37 -4.50 116.55 124.10 3gxh n ASP 63 Ca 0.08 0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.47 3gxh n ASP 63 Cb 0.45 0.27 -0.16 0.00 -0.02 0.00 0.00 41.12 41.66 3gxh n ASP 63 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gxh s VAL 64 N -2.52 0.17 -0.18 2.53 1.01 -0.74 -0.91 120.40 119.75 3gxh s VAL 64 Ca -0.16 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3gxh s VAL 64 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 3gxh s VAL 64 CO 0.77 0.13 -0.09 -0.69 0.00 0.00 0.00 175.10 175.22 3gxh s VAL 65 N 0.92 3.15 -0.29 2.92 1.01 0.17 -1.06 120.40 127.23 3gxh s VAL 65 Ca -0.09 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3gxh s VAL 65 Cb -0.13 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3gxh s VAL 65 CO -0.02 0.48 0.06 -0.63 0.00 0.00 0.00 175.10 174.99 3gxh s ILE 66 N 0.99 3.83 -0.28 2.22 1.01 0.73 -0.98 121.20 128.72 3gxh s ILE 66 Ca -0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 3gxh s ILE 66 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3gxh s ILE 66 CO -0.01 0.11 0.12 0.21 0.00 0.00 0.00 174.94 175.37 3gxh s ASN 67 N 1.48 5.39 -1.15 3.58 2.47 0.06 -1.02 114.94 125.75 3gxh s ASN 67 Ca 0.02 -0.34 -0.10 0.00 0.42 0.00 0.00 52.86 52.87 3gxh s ASN 67 Cb -0.17 -1.97 0.25 0.00 -1.45 0.00 0.00 41.25 37.90 3gxh s ASN 67 CO 0.02 -0.11 1.32 0.18 -3.72 0.00 0.00 177.10 174.78 3gxh n LEU 68 N 4.96 5.66 -4.34 3.21 4.77 -0.42 -1.05 117.00 129.79 3gxh n LEU 68 Ca -0.15 -4.88 -0.32 0.00 -0.03 0.00 0.00 56.01 50.64 3gxh n LEU 68 Cb 0.50 -1.49 -0.15 0.00 -2.33 0.00 0.00 43.42 39.95 3gxh n LEU 68 CO 0.32 1.23 -0.54 -2.84 -1.33 0.00 0.00 177.39 174.23 3gxh s PRO 70 N -0.60 2.35 0.60 3.23 0.02 -1.26 -0.77 135.00 138.58 3gxh s PRO 70 Ca 0.35 -0.86 0.32 0.00 0.02 0.00 0.00 61.00 60.82 3gxh s PRO 70 Cb -0.04 -2.17 1.90 0.00 0.02 0.00 0.00 34.50 34.21 3gxh s PRO 70 CO -0.02 0.52 2.26 -0.44 -0.33 0.00 0.00 177.00 178.99 3gxh h ASP 71 N 5.64 0.00 0.77 2.53 3.32 -1.99 -0.69 116.42 126.01 3gxh h ASP 71 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3gxh h ASP 71 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gxh h ASP 71 CO 0.48 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 3gxh n SER 72 N -3.73 0.55 -4.73 6.45 3.41 -1.26 -4.73 113.62 109.58 3gxh n SER 72 Ca -0.03 0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 3gxh n SER 72 Cb 0.10 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3gxh n SER 72 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gxh n SER 73 N -2.09 3.08 0.30 4.04 7.64 -0.27 -4.88 113.62 121.44 3gxh n SER 73 Ca 0.03 1.19 0.16 0.00 1.01 0.00 0.00 58.87 61.26 3gxh n SER 73 Cb 0.24 -1.54 0.93 0.00 -1.01 0.00 0.00 64.21 62.84 3gxh n SER 73 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3gxh h LYS 74 N 2.57 0.00 -0.01 1.43 2.10 -1.89 -2.28 116.57 118.48 3gxh h LYS 74 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3gxh h LYS 74 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3gxh h LYS 74 CO 0.62 0.03 -0.31 -0.25 -2.00 0.00 0.00 179.45 177.54 3gxh n ASP 75 N -3.60 1.41 -4.79 7.07 8.00 -1.26 -4.98 116.55 118.40 3gxh n ASP 75 Ca -0.03 -1.14 -0.35 0.00 0.71 0.00 0.00 54.79 53.98 3gxh n ASP 75 Cb 0.13 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 3gxh n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxh s ALA 76 N -2.46 2.91 0.54 2.24 0.00 -0.86 -5.01 121.76 119.11 3gxh s ALA 76 Ca 0.23 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.68 3gxh s ALA 76 Cb 0.19 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 3gxh s ALA 76 CO 0.52 -0.40 1.28 -1.01 0.00 0.00 0.00 175.76 176.16 3gxh s HIS 77 N -1.82 2.44 0.44 0.00 3.76 -1.26 -4.93 115.29 113.93 3gxh s HIS 77 Ca 0.65 1.44 0.13 0.00 -0.15 0.00 0.00 55.06 57.13 3gxh s HIS 77 Cb -0.20 -3.63 0.97 0.00 1.11 0.00 0.00 32.58 30.82 3gxh s HIS 77 CO 0.25 -2.43 2.00 -1.35 -0.85 0.00 0.00 174.74 172.36 3gxh h PRO 78 N 1.47 0.12 -1.10 8.40 0.11 -1.95 -3.36 132.00 135.69 3gxh h PRO 78 Ca -0.50 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.22 3gxh h PRO 78 Cb 1.29 -0.02 -0.26 0.00 0.11 0.00 0.00 31.00 32.12 3gxh h PRO 78 CO 0.57 0.22 -0.75 -3.47 -0.21 0.00 0.00 178.00 174.36 3gxh n ASP 79 N -4.36 -1.68 -0.14 -2.05 -0.08 -1.26 -4.98 116.55 101.99 3gxh n ASP 79 Ca -0.02 -2.93 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 3gxh n ASP 79 Cb 0.21 0.72 0.26 0.00 2.34 0.00 0.00 41.12 44.65 3gxh n ASP 79 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3gxh h GLU 80 N 4.36 0.84 -0.87 -0.67 4.81 -1.98 -2.70 114.58 118.37 3gxh h GLU 80 Ca 0.01 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3gxh h GLU 80 Cb 0.98 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 3gxh h GLU 80 CO 0.33 0.62 0.57 0.78 -0.73 0.00 0.00 179.01 180.59 3gxh h GLY 81 N 0.91 1.23 1.00 1.92 0.00 -1.95 -0.33 103.07 105.86 3gxh h GLY 81 Ca 0.22 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3gxh h GLY 81 CO -0.03 0.41 0.32 1.70 0.00 0.00 0.00 176.54 178.94 3gxh h LYS 82 N 1.13 0.96 -0.52 4.80 3.64 -1.91 0.34 116.57 125.00 3gxh h LYS 82 Ca 0.33 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3gxh h LYS 82 Cb -0.05 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3gxh h LYS 82 CO -0.09 0.76 0.22 -0.07 -2.27 0.00 0.00 179.45 178.00 3gxh h LEU 83 N 0.92 0.71 -0.18 5.20 3.38 -1.08 -0.09 115.31 124.17 3gxh h LEU 83 Ca 0.23 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3gxh h LEU 83 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3gxh h LEU 83 CO -0.03 0.67 -0.04 0.58 0.09 0.00 0.00 178.44 179.71 3gxh h VAL 84 N 0.70 1.29 -0.37 1.22 2.07 -0.94 -2.33 116.25 117.88 3gxh h VAL 84 Ca 0.17 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 3gxh h VAL 84 Cb 0.18 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3gxh h VAL 84 CO -0.02 0.30 -0.07 0.74 0.02 0.00 0.00 177.57 178.54 3gxh h THR 85 N 0.07 1.27 0.00 2.57 2.02 -0.86 -2.58 112.91 115.40 3gxh h THR 85 Ca 0.05 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.09 3gxh h THR 85 Cb 0.48 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3gxh h THR 85 CO 0.02 0.38 0.00 1.56 0.37 0.00 0.00 175.52 177.85 3gxh h GLN 86 N 0.51 0.00 -0.00 6.66 4.20 -1.06 -0.73 115.11 124.70 3gxh h GLN 86 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gxh h GLN 86 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3gxh h GLN 86 CO 0.03 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.19 3gxh n ALA 87 N -2.06 2.58 -0.68 3.87 0.00 -0.88 -5.08 120.51 118.26 3gxh n ALA 87 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3gxh n ALA 87 Cb 0.31 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3gxh n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxh n GLY 88 N 1.17 0.77 3.33 0.00 0.00 -0.28 -4.79 105.19 105.39 3gxh n GLY 88 Ca 0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3gxh n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gxh s ASP 90 N -2.21 3.08 -0.10 1.61 1.01 -0.08 -4.99 116.67 114.99 3gxh s ASP 90 Ca 0.00 -0.58 0.02 0.00 0.71 0.00 0.00 52.55 52.70 3gxh s ASP 90 Cb 0.00 -0.28 -0.01 0.00 1.01 0.00 0.00 42.92 43.64 3gxh s ASP 90 CO 0.00 0.25 -0.17 -0.47 0.21 0.00 0.00 175.17 174.99 3gxh s TYR 91 N -0.80 2.69 -0.07 4.23 5.04 -1.26 -0.65 117.35 126.52 3gxh s TYR 91 Ca 0.11 -0.61 0.02 0.00 -2.44 0.00 0.00 57.07 54.16 3gxh s TYR 91 Cb -0.10 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.49 3gxh s TYR 91 CO 0.02 -0.15 -0.14 0.08 -1.34 0.00 0.00 175.55 174.02 3gxh s VAL 92 N 0.03 1.26 -0.23 3.14 1.01 -0.15 -4.98 120.40 120.49 3gxh s VAL 92 Ca -0.06 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3gxh s VAL 92 Cb -0.15 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3gxh s VAL 92 CO 0.05 0.39 -0.07 -0.47 0.00 0.00 0.00 175.10 174.99 3gxh s TYR 93 N 0.69 2.98 -0.52 5.22 5.04 -1.26 -0.76 117.35 128.74 3gxh s TYR 93 Ca -0.14 -1.34 0.04 0.00 -2.44 0.00 0.00 57.07 53.20 3gxh s TYR 93 Cb -0.16 -2.06 0.17 0.00 0.35 0.00 0.00 41.96 40.26 3gxh s TYR 93 CO 0.04 -0.67 0.38 0.42 -1.34 0.00 0.00 175.55 174.37 3gxh s ILE 94 N 1.38 1.35 0.12 3.14 1.01 -0.22 -4.98 121.20 123.00 3gxh s ILE 94 Ca 0.03 -3.20 -0.31 0.00 0.00 0.00 0.00 60.65 57.17 3gxh s ILE 94 Cb -0.15 -1.91 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 3gxh s ILE 94 CO -0.05 -1.11 1.55 -2.16 0.00 0.00 0.00 174.94 173.16 3gxh s PRO 95 N -0.42 4.23 -0.19 2.79 0.04 -1.26 -4.04 135.00 136.15 3gxh s PRO 95 Ca 0.28 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 3gxh s PRO 95 Cb -0.03 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3gxh s PRO 95 CO -0.16 -0.61 -0.14 0.08 0.04 0.00 0.00 177.00 176.21 3gxh s VAL 96 N 1.65 2.62 -0.20 -0.36 1.01 0.05 -4.93 120.40 120.25 3gxh s VAL 96 Ca 0.70 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3gxh s VAL 96 Cb -0.41 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 3gxh s VAL 96 CO 0.31 0.50 1.17 -0.62 0.00 0.00 0.00 175.10 176.46 3gxh s ASP 97 N 1.23 7.00 0.36 3.32 -1.08 -1.26 -4.51 116.67 121.73 3gxh s ASP 97 Ca 0.03 1.54 0.04 0.00 -0.52 0.00 0.00 52.55 53.64 3gxh s ASP 97 Cb -0.14 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.49 3gxh s ASP 97 CO -0.07 -0.73 2.00 -0.25 0.52 0.00 0.00 175.17 176.64 3gxh h TRP 98 N 7.92 0.74 -0.00 -5.34 2.91 -1.98 -1.29 115.95 118.91 3gxh h TRP 98 Ca -0.23 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.81 3gxh h TRP 98 Cb 1.08 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.48 3gxh h TRP 98 CO 0.78 0.44 -0.05 1.04 -1.03 0.00 0.00 178.44 179.63 3gxh n GLN 99 N -4.46 0.30 -2.85 2.65 6.02 -1.26 -4.40 117.38 113.38 3gxh n GLN 99 Ca 0.08 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 3gxh n GLN 99 Cb 0.12 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.93 3gxh n GLN 99 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxh n ASN 100 N -1.32 -1.62 -4.79 1.08 5.15 -0.53 -5.00 115.26 108.21 3gxh n ASN 100 Ca 0.11 -3.49 -0.34 0.00 -0.60 0.00 0.00 54.58 50.26 3gxh n ASN 100 Cb 0.29 1.29 -0.03 0.00 -0.53 0.00 0.00 39.78 40.79 3gxh n ASN 100 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxh s PRO 101 N -0.33 3.80 0.09 1.20 0.04 -0.93 -4.52 135.00 134.35 3gxh s PRO 101 Ca 0.27 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.79 3gxh s PRO 101 Cb 0.29 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 3gxh s PRO 101 CO -0.08 -0.44 -0.17 0.15 0.04 0.00 0.00 177.00 176.51 3gxh s LYS 102 N -3.14 0.94 0.41 4.56 1.02 -1.26 -4.97 119.74 117.31 3gxh s LYS 102 Ca 0.67 -1.05 0.11 0.00 0.02 0.00 0.00 55.97 55.72 3gxh s LYS 102 Cb -0.18 -1.04 0.93 0.00 -0.52 0.00 0.00 37.83 37.02 3gxh s LYS 102 CO 0.22 0.23 1.99 0.28 -0.92 0.00 0.00 175.35 177.15 3gxh h VAL 103 N 4.17 0.96 -0.12 3.17 2.07 -1.96 -0.91 116.25 123.65 3gxh h VAL 103 Ca -0.43 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3gxh h VAL 103 Cb 1.19 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3gxh h VAL 103 CO 0.40 0.09 -0.13 -0.33 0.02 0.00 0.00 177.57 177.63 3gxh h GLU 104 N 0.52 0.18 -0.33 1.57 3.07 -1.98 0.93 114.58 118.53 3gxh h GLU 104 Ca 0.26 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 3gxh h GLU 104 Cb 0.36 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3gxh h GLU 104 CO -0.08 0.32 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.42 3gxh h ASP 105 N 0.17 0.57 -0.62 1.42 3.32 -1.57 -0.37 116.42 119.35 3gxh h ASP 105 Ca 0.04 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 3gxh h ASP 105 Cb 0.35 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3gxh h ASP 105 CO 0.02 0.74 0.29 0.58 -1.72 0.00 0.00 179.24 179.15 3gxh h VAL 106 N 0.39 1.22 -0.09 -1.35 2.07 -1.18 -1.57 116.25 115.74 3gxh h VAL 106 Ca 0.09 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3gxh h VAL 106 Cb 0.45 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3gxh h VAL 106 CO 0.02 0.26 -0.41 -0.33 0.02 0.00 0.00 177.57 177.13 3gxh h GLU 107 N 0.85 0.19 -0.72 1.57 5.08 -0.71 0.02 114.58 120.84 3gxh h GLU 107 Ca 0.21 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3gxh h GLU 107 Cb 0.14 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3gxh h GLU 107 CO -0.02 0.57 0.19 0.00 -1.00 0.00 0.00 179.01 178.74 3gxh h ALA 108 N 1.43 0.95 -0.25 3.43 0.00 -0.76 -0.51 119.26 123.55 3gxh h ALA 108 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gxh h ALA 108 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gxh h ALA 108 CO 0.06 0.67 0.08 0.35 0.00 0.00 0.00 179.25 180.41 3gxh h PHE 109 N 1.09 0.40 -0.94 0.00 3.57 -0.55 -0.84 116.94 119.66 3gxh h PHE 109 Ca 0.23 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3gxh h PHE 109 Cb 0.36 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3gxh h PHE 109 CO 0.03 0.44 0.61 0.74 -2.23 0.00 0.00 178.31 177.90 3gxh h PHE 110 N 0.24 1.14 -0.65 0.41 -1.00 -0.75 -2.23 116.94 114.10 3gxh h PHE 110 Ca 0.08 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 3gxh h PHE 110 Cb 0.22 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 3gxh h PHE 110 CO 0.00 0.63 0.17 0.00 -1.61 0.00 0.00 178.31 177.50 3gxh h ALA 111 N 1.40 0.85 0.00 2.45 0.00 -0.80 -0.96 119.26 122.21 3gxh h ALA 111 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gxh h ALA 111 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gxh h ALA 111 CO -0.14 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3gxh n ALA 112 N -2.43 1.68 0.00 0.00 0.00 -0.35 -0.91 120.51 118.51 3gxh n ALA 112 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3gxh n ALA 112 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3gxh n ALA 112 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3gxh n ASP 114 N 0.84 0.00 0.00 0.00 2.03 -0.36 -2.42 116.55 116.64 3gxh n ASP 114 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 3gxh n ASP 114 Cb 0.11 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 40.97 3gxh n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gxh n GLN 115 N 0.00 0.03 -2.18 -0.67 6.02 -0.09 -3.59 117.38 116.90 3gxh n GLN 115 Ca 0.00 0.13 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 3gxh n GLN 115 Cb 0.00 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.81 3gxh n GLN 115 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gxh n HIS 116 N -1.48 1.76 -1.88 1.08 8.25 -1.01 -5.09 115.22 116.84 3gxh n HIS 116 Ca 0.06 -2.01 -0.41 0.00 -0.26 0.00 0.00 57.72 55.10 3gxh n HIS 116 Cb 0.24 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.07 3gxh n HIS 116 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3gxh s LYS 117 N -3.40 4.06 0.00 -0.41 3.01 -1.24 -1.93 119.74 119.83 3gxh s LYS 117 Ca 0.40 2.44 0.00 0.00 -1.01 0.00 0.00 55.97 57.79 3gxh s LYS 117 Cb 0.37 -2.91 0.00 0.00 -1.01 0.00 0.00 37.83 34.28 3gxh s LYS 117 CO -0.01 -0.52 0.00 0.41 0.51 0.00 0.00 175.35 175.74 3gxh n GLY 118 N 0.56 1.41 3.93 -3.33 0.00 -1.26 -5.03 105.19 101.48 3gxh n GLY 118 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3gxh n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gxh s LYS 119 N -0.06 3.51 -0.22 1.61 -0.14 -0.81 -5.07 119.74 118.55 3gxh s LYS 119 Ca 0.00 -0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 53.96 3gxh s LYS 119 Cb 0.00 -2.81 -0.00 0.00 -1.68 0.00 0.00 37.83 33.33 3gxh s LYS 119 CO 0.00 0.36 0.91 -0.51 -0.76 0.00 0.00 175.35 175.35 3gxh s ASP 120 N -3.40 6.96 -0.03 2.83 1.11 -1.26 -4.87 116.67 118.01 3gxh s ASP 120 Ca 0.38 1.20 0.06 0.00 0.18 0.00 0.00 52.55 54.37 3gxh s ASP 120 Cb -0.11 -2.48 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 3gxh s ASP 120 CO 0.30 -0.55 -0.20 -0.69 1.18 0.00 0.00 175.17 175.21 3gxh s VAL 121 N 2.83 2.60 -0.17 -1.27 1.01 -0.24 -0.48 120.40 124.68 3gxh s VAL 121 Ca 0.39 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3gxh s VAL 121 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3gxh s VAL 121 CO 0.08 0.57 -0.06 -0.22 0.00 0.00 0.00 175.10 175.46 3gxh s LEU 122 N -0.73 2.96 -0.16 3.92 2.96 -0.22 -0.78 118.68 126.63 3gxh s LEU 122 Ca 0.11 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3gxh s LEU 122 Cb -0.10 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3gxh s LEU 122 CO 0.00 0.09 -0.01 0.54 -1.32 0.00 0.00 176.35 175.66 3gxh s VAL 123 N 0.80 4.16 0.14 1.68 0.11 -0.22 -0.20 120.40 126.88 3gxh s VAL 123 Ca -0.02 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 3gxh s VAL 123 Cb -0.15 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 3gxh s VAL 123 CO 0.01 0.48 0.07 -1.38 -3.33 0.00 0.00 175.10 170.96 3gxh s HIS 124 N 0.37 0.91 0.00 1.54 -0.00 -0.19 -1.73 115.29 116.19 3gxh s HIS 124 Ca -0.02 -1.25 0.00 0.00 -0.00 0.00 0.00 55.06 53.79 3gxh s HIS 124 Cb -0.14 -0.49 0.00 0.00 -0.00 0.00 0.00 32.58 31.96 3gxh s HIS 124 CO 0.02 -0.55 0.00 0.00 -0.00 0.00 0.00 174.74 174.21 3gxh n LEU 126 N 0.00 2.20 -0.86 0.00 7.94 -1.26 -1.61 117.00 123.40 3gxh n LEU 126 Ca 0.00 0.33 0.02 0.00 -1.11 0.00 0.00 56.01 55.24 3gxh n LEU 126 Cb 0.00 -1.03 0.01 0.00 0.53 0.00 0.00 43.42 42.93 3gxh n LEU 126 CO 0.00 0.53 0.19 0.00 -1.11 0.00 0.00 177.39 177.00 3gxh n ALA 127 N -3.27 2.16 -1.11 1.96 0.00 -1.26 -1.42 120.51 117.56 3gxh n ALA 127 Ca -0.33 -1.56 -0.04 0.00 0.00 0.00 0.00 53.44 51.51 3gxh n ALA 127 Cb 0.84 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 3gxh n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gxh n ASN 128 N 0.14 -4.06 0.02 0.00 5.15 -1.24 -4.66 115.26 110.61 3gxh n ASN 128 Ca 0.03 0.10 -0.02 0.00 -0.60 0.00 0.00 54.58 54.08 3gxh n ASN 128 Cb 0.86 -1.91 -0.01 0.00 -0.53 0.00 0.00 39.78 38.20 3gxh n ASN 128 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3gxh h TYR 129 N 0.00 -0.14 -0.48 1.20 -1.99 -1.95 -2.55 116.97 111.06 3gxh h TYR 129 Ca -0.08 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.71 3gxh h TYR 129 Cb 0.45 0.05 -0.06 0.00 2.00 0.00 0.00 36.73 39.17 3gxh h TYR 129 CO 0.23 -0.09 0.16 0.00 -0.00 0.00 0.00 178.16 178.46 3gxh h ARG 130 N -0.87 0.31 -0.53 4.88 3.08 -1.96 -2.15 114.38 117.13 3gxh h ARG 130 Ca -0.02 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3gxh h ARG 130 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3gxh h ARG 130 CO 0.03 0.21 0.06 0.00 -1.07 0.00 0.00 179.97 179.19 3gxh h ALA 131 N 1.33 0.71 -0.25 0.04 0.00 -1.87 -0.96 119.26 118.26 3gxh h ALA 131 Ca 0.23 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3gxh h ALA 131 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gxh h ALA 131 CO -0.25 0.48 -0.37 0.66 0.00 0.00 0.00 179.25 179.76 3gxh h SER 132 N 0.78 0.58 -0.47 0.00 4.64 -1.29 0.29 113.55 118.09 3gxh h SER 132 Ca 0.16 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3gxh h SER 132 Cb 0.45 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3gxh h SER 132 CO 0.02 0.90 0.09 0.00 -0.87 0.00 0.00 176.83 176.96 3gxh h ALA 133 N 1.13 0.62 -0.44 5.18 0.00 -1.18 -0.92 119.26 123.66 3gxh h ALA 133 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3gxh h ALA 133 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gxh h ALA 133 CO 0.07 0.33 -0.16 0.74 0.00 0.00 0.00 179.25 180.23 3gxh h PHE 134 N 0.64 1.01 -0.57 0.00 -1.00 -0.94 -1.82 116.94 114.26 3gxh h PHE 134 Ca 0.14 -0.24 0.02 0.00 2.81 0.00 0.00 57.97 60.70 3gxh h PHE 134 Cb 0.37 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 3gxh h PHE 134 CO 0.02 1.01 0.36 0.00 -1.61 0.00 0.00 178.31 178.10 3gxh h ALA 135 N 0.85 0.73 -0.15 2.45 0.00 -0.81 -1.21 119.26 121.12 3gxh h ALA 135 Ca 0.10 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gxh h ALA 135 Cb 0.72 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3gxh h ALA 135 CO 0.05 0.12 -0.15 -0.92 0.00 0.00 0.00 179.25 178.35 3gxh h TYR 136 N 0.73 -0.38 -0.45 0.00 3.20 -0.92 -0.93 116.97 118.22 3gxh h TYR 136 Ca 0.22 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3gxh h TYR 136 Cb -0.04 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3gxh h TYR 136 CO -0.05 -0.22 0.01 -0.07 -1.64 0.00 0.00 178.16 176.20 3gxh h LEU 137 N -0.17 0.70 -0.42 2.82 3.38 -1.03 -0.47 115.31 120.11 3gxh h LEU 137 Ca 0.10 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3gxh h LEU 137 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gxh h LEU 137 CO -0.26 0.76 -0.16 0.22 0.09 0.00 0.00 178.44 179.09 3gxh h TYR 138 N 0.69 0.96 -0.27 1.13 3.20 -0.83 -0.69 116.97 121.16 3gxh h TYR 138 Ca 0.14 -0.23 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 3gxh h TYR 138 Cb 0.41 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3gxh h TYR 138 CO 0.02 0.99 -0.29 1.96 -1.64 0.00 0.00 178.16 179.20 3gxh h GLN 139 N 0.66 0.55 0.04 1.82 4.20 -0.89 -0.01 115.11 121.48 3gxh h GLN 139 Ca 0.10 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.59 3gxh h GLN 139 Cb 0.72 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3gxh h GLN 139 CO 0.05 0.78 -0.09 1.25 -0.67 0.00 0.00 178.83 180.16 3gxh h LEU 140 N 0.48 -0.24 -1.61 1.46 5.85 -0.84 -0.90 115.31 119.51 3gxh h LEU 140 Ca 0.06 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3gxh h LEU 140 Cb 0.74 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3gxh h LEU 140 CO 0.06 -0.13 0.29 0.50 -0.34 0.00 0.00 178.44 178.82 3gxh h LYS 141 N -0.17 0.51 0.00 1.25 3.11 -0.62 -1.43 116.57 119.22 3gxh h LYS 141 Ca 0.02 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3gxh h LYS 141 Cb 0.19 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 3gxh h LYS 141 CO -0.06 0.34 0.00 1.04 -2.81 0.00 0.00 179.45 177.95 3gxh n GLN 142 N -4.48 0.96 -1.65 1.90 1.13 -0.06 -4.88 117.38 110.30 3gxh n GLN 142 Ca 0.04 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.01 3gxh n GLN 142 Cb 0.12 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 3gxh n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gxh n GLY 143 N 0.83 0.61 0.40 1.08 0.00 -0.54 -4.92 105.19 102.67 3gxh n GLY 143 Ca 0.19 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.78 3gxh n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gxh n GLN 144 N -2.37 1.54 -3.68 1.61 6.02 -0.37 -4.96 117.38 115.18 3gxh n GLN 144 Ca -0.10 -0.81 -0.24 0.00 -0.01 0.00 0.00 57.00 55.84 3gxh n GLN 144 Cb 0.42 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.23 3gxh n GLN 144 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gxh n ASN 145 N -0.02 -2.76 -4.76 1.08 5.15 -1.26 -4.91 115.26 107.77 3gxh n ASN 145 Ca 0.19 -0.88 -0.36 0.00 -0.60 0.00 0.00 54.58 52.93 3gxh n ASN 145 Cb 0.32 -3.88 0.02 0.00 -0.53 0.00 0.00 39.78 35.71 3gxh n ASN 145 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gxh s PRO 146 N -5.87 3.16 0.05 1.20 0.04 -1.26 -5.07 135.00 127.23 3gxh s PRO 146 Ca 0.18 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 3gxh s PRO 146 Cb -0.05 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3gxh s PRO 146 CO 0.83 -1.04 0.06 -1.71 0.04 0.00 0.00 177.00 175.18 3gxh n ASN 147 N -1.41 0.06 0.00 6.66 2.85 -1.26 -5.00 115.26 117.16 3gxh n ASN 147 Ca 0.13 -1.06 0.00 0.00 -0.11 0.00 0.00 54.58 53.54 3gxh n ASN 147 Cb 0.50 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.48 3gxh n ASN 147 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gxh n ALA 149 N -3.01 0.00 -0.08 5.20 0.00 -1.26 -1.38 120.51 119.98 3gxh n ALA 149 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 3gxh n ALA 149 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3gxh n ALA 149 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3gxh h GLN 150 N 0.00 0.88 -1.20 0.00 4.15 -2.04 -3.31 115.11 113.58 3gxh h GLN 150 Ca 0.00 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 58.87 3gxh h GLN 150 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3gxh h GLN 150 CO 0.00 1.18 0.00 2.41 -1.93 0.00 0.00 178.83 180.49 3gxh n THR 151 N -4.01 0.83 0.00 2.39 -1.04 -0.48 -5.02 114.28 106.95 3gxh n THR 151 Ca -0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3gxh n THR 151 Cb 0.62 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 3gxh n THR 151 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gxh n THR 153 N 0.61 0.00 0.27 12.58 -1.04 -1.25 -4.83 114.28 120.62 3gxh n THR 153 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 3gxh n THR 153 Cb 0.41 0.00 0.71 0.00 -1.82 0.00 0.00 70.33 69.63 3gxh n THR 153 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3gxh h PRO 154 N 0.00 0.00 0.00 -2.82 0.11 -1.91 -2.17 132.00 125.21 3gxh h PRO 154 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gxh h PRO 154 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gxh h PRO 154 CO 0.00 0.03 -0.13 0.91 -0.21 0.00 0.00 178.00 178.60 3gxh n TRP 155 N -4.26 0.27 -0.20 0.65 7.02 -1.26 -4.99 117.44 114.67 3gxh n TRP 155 Ca -0.03 0.08 -0.06 0.00 -1.02 0.00 0.00 57.50 56.47 3gxh n TRP 155 Cb 0.11 -0.58 -0.01 0.00 -2.42 0.00 0.00 31.31 28.42 3gxh n TRP 155 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3gxh n ASN 156 N -1.73 1.30 0.00 -0.99 3.02 -0.82 -4.99 115.26 111.05 3gxh n ASN 156 Ca 0.06 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3gxh n ASN 156 Cb 0.37 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3gxh n ASN 156 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gxh n LEU 159 N 4.63 0.00 -4.92 3.41 7.99 -1.26 -5.10 117.00 121.75 3gxh n LEU 159 Ca 0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.85 3gxh n LEU 159 Cb 0.04 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.43 3gxh n LEU 159 CO 0.53 0.04 0.67 0.00 -1.51 0.00 0.00 177.39 177.12 3gxh s ALA 160 N 0.00 3.01 -0.14 -1.18 0.00 -1.26 -5.10 121.76 117.09 3gxh s ALA 160 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3gxh s ALA 160 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 3gxh s ALA 160 CO 0.00 -1.38 0.04 0.42 0.00 0.00 0.00 175.76 174.84 3gxh s ILE 161 N -3.34 4.61 -0.51 0.00 1.01 -1.26 -5.06 121.20 116.66 3gxh s ILE 161 Ca 0.60 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.18 3gxh s ILE 161 Cb -0.11 -3.02 0.13 0.00 0.01 0.00 0.00 42.46 39.47 3gxh s ILE 161 CO 0.46 0.53 0.25 -0.31 0.00 0.00 0.00 174.94 175.87 3gxh s TYR 162 N -0.20 3.23 0.23 3.97 2.02 -1.26 -5.01 117.35 120.33 3gxh s TYR 162 Ca 0.07 -3.16 -0.07 0.00 -0.37 0.00 0.00 57.07 53.54 3gxh s TYR 162 Cb -0.12 -2.83 0.30 0.00 -0.40 0.00 0.00 41.96 38.90 3gxh s TYR 162 CO 0.02 -0.76 1.83 -1.35 -1.57 0.00 0.00 175.55 173.72 3gxh h PRO 163 N 6.59 0.81 -0.18 -1.71 0.11 -1.99 -0.34 132.00 135.29 3gxh h PRO 163 Ca -0.08 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.85 3gxh h PRO 163 Cb 0.90 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3gxh h PRO 163 CO 0.68 0.54 -0.45 0.87 -0.21 0.00 0.00 178.00 179.42 3gxh h LYS 164 N 0.84 0.46 -0.24 1.05 1.57 -1.94 -1.43 116.57 116.88 3gxh h LYS 164 Ca 0.35 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 3gxh h LYS 164 Cb 0.20 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3gxh h LYS 164 CO -0.18 0.82 -0.61 -1.49 -0.57 0.00 0.00 179.45 177.42 3gxh h TRP 165 N 0.37 1.02 -0.37 -1.35 4.06 -1.63 -0.85 115.95 117.20 3gxh h TRP 165 Ca 0.02 -0.39 0.02 0.00 2.06 0.00 0.00 58.89 60.61 3gxh h TRP 165 Cb 0.94 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.89 3gxh h TRP 165 CO 0.03 1.21 0.20 0.37 -3.56 0.00 0.00 178.44 176.68 3gxh h GLN 166 N 0.59 0.39 -0.50 0.49 4.15 -0.98 -0.30 115.11 118.96 3gxh h GLN 166 Ca -0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 3gxh h GLN 166 Cb 1.22 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3gxh h GLN 166 CO 0.13 0.26 -0.01 0.00 -1.93 0.00 0.00 178.83 177.28 3gxh h ALA 167 N 1.19 0.68 -0.30 3.38 0.00 -1.20 -1.52 119.26 121.48 3gxh h ALA 167 Ca 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gxh h ALA 167 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gxh h ALA 167 CO -0.10 0.50 0.14 1.25 0.00 0.00 0.00 179.25 181.04 3gxh h LEU 168 N 0.76 0.40 -0.97 0.00 5.85 -0.88 -0.67 115.31 119.80 3gxh h LEU 168 Ca 0.14 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3gxh h LEU 168 Cb 0.53 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3gxh h LEU 168 CO 0.03 0.43 0.16 -0.07 -0.34 0.00 0.00 178.44 178.64 3gxh h LEU 169 N 0.35 0.85 -0.17 2.25 3.38 -0.96 -0.47 115.31 120.54 3gxh h LEU 169 Ca 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gxh h LEU 169 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gxh h LEU 169 CO -0.01 0.82 0.01 0.74 0.09 0.00 0.00 178.44 180.08 3gxh h THR 170 N 0.87 1.25 -0.08 0.22 2.02 -1.04 -1.26 112.91 114.89 3gxh h THR 170 Ca 0.19 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3gxh h THR 170 Cb 0.29 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3gxh h THR 170 CO -0.00 0.25 0.03 -0.08 0.37 0.00 0.00 175.52 176.08 3gxh h GLU 171 N 0.06 0.12 -0.56 6.66 4.81 -0.81 -0.68 114.58 124.17 3gxh h GLU 171 Ca 0.05 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3gxh h GLU 171 Cb 0.36 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3gxh h GLU 171 CO 0.01 0.25 -0.08 0.28 -0.73 0.00 0.00 179.01 178.74 3gxh h VAL 172 N -0.04 1.27 -0.40 0.32 2.07 -1.11 -1.91 116.25 116.45 3gxh h VAL 172 Ca 0.03 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 3gxh h VAL 172 Cb 0.18 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3gxh h VAL 172 CO -0.00 0.44 0.15 0.28 0.02 0.00 0.00 177.57 178.45 3gxh h SER 173 N 0.92 0.52 -0.49 0.57 0.02 -1.12 -0.94 113.55 113.04 3gxh h SER 173 Ca 0.15 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3gxh h SER 173 Cb 0.65 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3gxh h SER 173 CO 0.04 0.49 0.11 0.00 -1.14 0.00 0.00 176.83 176.33 3gxh h ALA 174 N 1.59 0.64 -0.09 3.77 0.00 -0.64 -0.01 119.26 124.52 3gxh h ALA 174 Ca 0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3gxh h ALA 174 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gxh h ALA 174 CO -0.01 0.34 -0.40 -0.22 0.00 0.00 0.00 179.25 178.96 3gxh h LYS 175 N 0.67 0.43 0.00 0.00 3.64 -0.90 -3.38 116.57 117.02 3gxh h LYS 175 Ca 0.15 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3gxh h LYS 175 Cb 0.34 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3gxh h LYS 175 CO 0.00 0.97 -0.91 0.66 -2.27 0.00 0.00 179.45 177.91 3gxh n TYR 176 N -4.34 0.00 -2.49 1.91 4.01 -0.40 -4.96 117.16 110.90 3gxh n TYR 176 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.24 3gxh n TYR 176 Cb 0.54 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 3gxh n TYR 176 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3gxh s GLY 177 N -2.73 2.51 0.00 2.72 0.00 -0.02 -4.46 107.32 105.33 3gxh s GLY 177 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3gxh s GLY 177 CO 0.67 1.97 0.00 1.42 0.00 0.00 0.00 173.10 177.16