#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mxq h GLN -3 N 0.00 0.00 -0.62 -4.13 4.15 -2.10 -2.96 115.11 109.45 3mxq h GLN -3 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 3mxq h GLN -3 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 3mxq h GLN -3 CO 0.00 0.00 0.27 1.03 -1.93 0.00 0.00 178.83 178.20 3mxq h SER -2 N 0.00 0.33 0.51 -0.69 0.87 -2.10 -2.24 113.55 110.23 3mxq h SER -2 Ca 0.00 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3mxq h SER -2 Cb 0.02 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3mxq h SER -2 CO -0.00 0.20 -0.42 0.78 -0.53 0.00 0.00 176.83 176.86 3mxq h ASN -1 N 0.49 0.00 0.00 6.23 4.21 -2.02 -2.37 115.58 122.12 3mxq h ASN -1 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 3mxq h ASN -1 Cb 0.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3mxq h ASN -1 CO -0.26 0.42 0.00 0.00 -1.29 0.00 0.00 177.43 176.30 3mxq n ALA 0 N -2.42 1.34 0.00 -0.83 0.00 -0.84 -1.54 120.51 116.22 3mxq n ALA 0 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3mxq n ALA 0 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3mxq n ALA 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mxq n ALA 2 N 0.32 0.00 -0.01 0.00 0.00 -0.89 -2.43 120.51 117.49 3mxq n ALA 2 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mxq n ALA 2 Cb 0.05 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.78 3mxq n ALA 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3mxq h LYS 3 N 0.00 0.55 0.05 0.00 1.79 -1.56 -0.39 116.57 117.01 3mxq h LYS 3 Ca 0.00 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3mxq h LYS 3 Cb 0.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3mxq h LYS 3 CO 0.00 0.57 -0.02 1.03 -1.08 0.00 0.00 179.45 179.94 3mxq h SER 4 N 0.53 -0.05 -0.43 0.86 0.87 -1.71 0.81 113.55 114.42 3mxq h SER 4 Ca 0.11 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3mxq h SER 4 Cb 0.33 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3mxq h SER 4 CO 0.01 0.09 0.20 0.03 -0.53 0.00 0.00 176.83 176.62 3mxq h ARG 5 N -0.19 0.62 -0.51 2.24 2.47 -1.72 -1.69 114.38 115.60 3mxq h ARG 5 Ca -0.01 -0.10 0.07 0.00 -1.26 0.00 0.00 59.98 58.69 3mxq h ARG 5 Cb 0.17 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 3mxq h ARG 5 CO 0.01 0.55 0.17 -0.07 0.56 0.00 0.00 179.97 181.19 3mxq h LEU 6 N 0.55 0.15 0.70 3.04 3.38 -0.99 0.14 115.31 122.28 3mxq h LEU 6 Ca 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3mxq h LEU 6 Cb 0.14 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3mxq h LEU 6 CO -0.02 0.11 -0.43 0.25 0.09 0.00 0.00 178.44 178.45 3mxq h LEU 7 N 0.34 -1.08 -0.38 1.67 5.85 -0.62 0.26 115.31 121.34 3mxq h LEU 7 Ca 0.25 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.10 3mxq h LEU 7 Cb 0.29 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3mxq h LEU 7 CO -0.27 -0.66 -0.01 0.25 -0.34 0.00 0.00 178.44 177.41 3mxq h LEU 8 N -1.06 -0.17 -1.01 2.25 5.85 -1.14 0.45 115.31 120.48 3mxq h LEU 8 Ca -0.09 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3mxq h LEU 8 Cb 0.85 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3mxq h LEU 8 CO 0.09 -0.05 0.66 -1.28 -0.34 0.00 0.00 178.44 177.52 3mxq h SER 9 N 0.09 1.10 1.36 1.25 0.87 -0.47 -0.97 113.55 116.78 3mxq h SER 9 Ca 0.19 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 3mxq h SER 9 Cb 0.27 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3mxq h SER 9 CO -0.32 0.75 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.96 3mxq h GLU 10 N 1.28 0.00 0.05 2.24 3.07 0.44 -2.13 114.58 119.53 3mxq h GLU 10 Ca 0.40 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3mxq h GLU 10 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3mxq h GLU 10 CO -0.13 0.44 -0.03 -0.07 -1.40 0.00 0.00 179.01 177.83 3mxq h LEU 11 N 0.00 -0.06 -1.26 1.33 3.38 0.09 -2.84 115.31 115.95 3mxq h LEU 11 Ca -0.00 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3mxq h LEU 11 Cb 1.24 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3mxq h LEU 11 CO 0.06 0.29 0.12 -0.07 0.09 0.00 0.00 178.44 178.93 3mxq h LEU 12 N -0.42 0.58 -0.95 1.67 3.38 -1.17 -0.92 115.31 117.48 3mxq h LEU 12 Ca -0.01 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3mxq h LEU 12 Cb 0.38 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3mxq h LEU 12 CO 0.01 0.57 0.62 0.44 0.09 0.00 0.00 178.44 180.17 3mxq h ASP 13 N 0.62 1.03 1.09 -0.43 5.19 -1.40 -2.05 116.42 120.47 3mxq h ASP 13 Ca 0.14 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.37 3mxq h ASP 13 Cb 0.21 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 3mxq h ASP 13 CO -0.01 0.70 -0.94 1.56 -3.12 0.00 0.00 179.24 177.44 3mxq h GLN 14 N 1.19 0.00 0.00 3.56 4.20 -1.06 -3.28 115.11 119.73 3mxq h GLN 14 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3mxq h GLN 14 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3mxq h GLN 14 CO -0.12 0.69 -0.50 1.28 -0.67 0.00 0.00 178.83 179.50 3mxq n LEU 15 N -3.22 0.52 -4.78 1.46 4.77 -0.44 -4.95 117.00 110.36 3mxq n LEU 15 Ca -0.02 0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.73 3mxq n LEU 15 Cb 0.87 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3mxq n LEU 15 CO 0.44 0.05 0.75 -0.94 -1.33 0.00 0.00 177.39 176.36 3mxq s SER 16 N -3.43 6.43 0.13 -1.43 1.04 -0.78 -5.03 113.70 110.62 3mxq s SER 16 Ca 0.10 2.07 -0.14 0.00 0.48 0.00 0.00 55.95 58.46 3mxq s SER 16 Cb 0.16 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.72 3mxq s SER 16 CO 0.69 -0.72 0.35 0.72 0.98 0.00 0.00 173.24 175.26 3mxq s PHE 17 N -1.74 -0.06 0.18 5.02 -0.71 -1.26 -4.74 117.98 114.67 3mxq s PHE 17 Ca 0.63 -0.30 -0.20 0.00 -1.04 0.00 0.00 56.93 56.02 3mxq s PHE 17 Cb -0.22 0.17 -0.08 0.00 -1.21 0.00 0.00 43.02 41.68 3mxq s PHE 17 CO 0.26 -0.69 0.69 0.00 -1.34 0.00 0.00 175.22 174.15 3mxq s ALA 18 N -3.84 3.46 -0.02 1.99 0.00 -0.80 -4.66 121.76 117.89 3mxq s ALA 18 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3mxq s ALA 18 Cb 0.02 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.37 3mxq s ALA 18 CO -0.10 0.34 0.04 -1.17 0.00 0.00 0.00 175.76 174.88 3mxq s LEU 19 N -1.69 1.41 -0.10 0.00 0.20 -1.26 -0.86 118.68 116.38 3mxq s LEU 19 Ca 0.39 0.07 -0.05 0.00 0.69 0.00 0.00 54.13 55.23 3mxq s LEU 19 Cb -0.18 0.05 0.04 0.00 -0.43 0.00 0.00 46.19 45.67 3mxq s LEU 19 CO 0.21 -0.08 0.23 0.00 -0.29 0.00 0.00 176.35 176.43 3mxq s ILE 21 N 1.21 4.51 0.04 0.00 -1.09 0.18 0.11 121.20 126.17 3mxq s ILE 21 Ca -0.09 -0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 3mxq s ILE 21 Cb -0.10 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 3mxq s ILE 21 CO -0.08 0.53 -0.21 0.68 -1.23 0.00 0.00 174.94 174.63 3mxq s VAL 22 N -0.15 1.71 1.09 2.92 -7.23 0.42 -0.88 120.40 118.29 3mxq s VAL 22 Ca 0.06 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.90 3mxq s VAL 22 Cb -0.12 -1.48 0.24 0.00 0.56 0.00 0.00 36.38 35.58 3mxq s VAL 22 CO 0.02 0.24 1.06 -0.60 -0.31 0.00 0.00 175.10 175.51 3mxq s ARG 23 N -1.12 -0.34 0.00 4.82 3.52 0.30 -0.37 118.95 125.75 3mxq s ARG 23 Ca 0.08 0.56 0.27 0.00 -0.13 0.00 0.00 55.73 56.52 3mxq s ARG 23 Cb -0.09 -1.64 1.49 0.00 -1.56 0.00 0.00 34.95 33.15 3mxq s ARG 23 CO 0.02 -3.26 1.95 0.27 -0.81 0.00 0.00 175.30 173.47 3mxq n ASN 24 N -4.55 0.00 -1.42 -2.12 0.23 -0.53 -1.87 115.26 104.99 3mxq n ASN 24 Ca 0.04 -0.44 0.08 0.00 -0.53 0.00 0.00 54.58 53.74 3mxq n ASN 24 Cb 0.56 -0.16 0.34 0.00 -2.08 0.00 0.00 39.78 38.44 3mxq n ASN 24 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mxq n ASP 25 N -1.16 4.83 0.00 0.53 3.85 -1.26 -4.95 116.55 118.39 3mxq n ASP 25 Ca 0.16 -2.92 0.00 0.00 -0.71 0.00 0.00 54.79 51.32 3mxq n ASP 25 Cb 0.16 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.32 3mxq n ASP 25 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3mxq n TYR 26 N 0.16 0.00 -2.51 2.11 4.01 -0.78 -4.93 117.16 115.22 3mxq n TYR 26 Ca 0.25 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 3mxq n TYR 26 Cb 1.03 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 39.71 3mxq n TYR 26 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mxq s VAL 27 N -2.84 4.30 0.07 -0.72 1.01 -1.26 -0.91 120.40 120.06 3mxq s VAL 27 Ca 0.00 1.65 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 3mxq s VAL 27 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3mxq s VAL 27 CO 0.00 0.10 1.24 -0.63 0.00 0.00 0.00 175.10 175.81 3mxq s ILE 28 N 1.31 3.87 -0.16 2.22 1.01 0.19 -0.54 121.20 129.10 3mxq s ILE 28 Ca 0.56 1.34 -0.03 0.00 0.00 0.00 0.00 60.65 62.52 3mxq s ILE 28 Cb -0.26 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 3mxq s ILE 28 CO 0.27 0.10 -0.18 0.52 0.00 0.00 0.00 174.94 175.66 3mxq n VAL 29 N 3.93 0.92 -3.86 2.92 0.31 -0.06 -0.72 118.33 121.77 3mxq n VAL 29 Ca 0.09 -0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3mxq n VAL 29 Cb 0.45 -1.36 -0.09 0.00 -0.91 0.00 0.00 33.84 31.93 3mxq n VAL 29 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3mxq s LYS 30 N -2.31 0.54 -0.16 5.55 2.20 -1.19 -4.85 119.74 119.52 3mxq s LYS 30 Ca -0.22 -0.43 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 3mxq s LYS 30 Cb 0.07 0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.66 3mxq s LYS 30 CO 0.34 -0.14 0.40 0.54 -0.36 0.00 0.00 175.35 176.13 3mxq s VAL 31 N -1.63 -0.01 0.46 4.02 0.11 -1.26 -0.64 120.40 121.45 3mxq s VAL 31 Ca -0.13 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 58.76 3mxq s VAL 31 Cb -0.06 -0.58 -0.13 0.00 -1.53 0.00 0.00 36.38 34.08 3mxq s VAL 31 CO 0.01 0.02 0.32 0.59 -3.33 0.00 0.00 175.10 172.70 3mxq n ASN 32 N 3.41 -1.85 -0.25 3.54 4.13 -0.13 -4.94 115.26 119.17 3mxq n ASN 32 Ca -0.17 0.80 -0.06 0.00 1.68 0.00 0.00 54.58 56.83 3mxq n ASN 32 Cb 0.56 -1.03 0.05 0.00 -1.54 0.00 0.00 39.78 37.82 3mxq n ASN 32 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3mxq h GLU 33 N 0.43 0.99 -0.48 3.52 4.81 -1.96 -2.61 114.58 119.29 3mxq h GLU 33 Ca -0.41 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 3mxq h GLU 33 Cb 1.42 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 3mxq h GLU 33 CO 0.48 0.78 0.22 -0.92 -0.73 0.00 0.00 179.01 178.83 3mxq h TYR 34 N 0.96 0.66 0.07 0.92 3.20 -1.92 -1.80 116.97 119.07 3mxq h TYR 34 Ca 0.24 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3mxq h TYR 34 Cb 0.11 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3mxq h TYR 34 CO 0.00 0.50 -0.04 0.35 -1.64 0.00 0.00 178.16 177.34 3mxq h PHE 35 N 0.67 -0.09 -0.40 -3.82 3.57 -1.79 -3.21 116.94 111.87 3mxq h PHE 35 Ca 0.17 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3mxq h PHE 35 Cb 0.09 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 3mxq h PHE 35 CO 0.01 0.16 -0.10 0.93 -2.23 0.00 0.00 178.31 177.08 3mxq h GLU 36 N -0.34 -0.00 0.00 1.11 5.08 -1.07 -1.93 114.58 117.42 3mxq h GLU 36 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3mxq h GLU 36 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3mxq h GLU 36 CO 0.02 -0.00 -0.00 0.66 -1.00 0.00 0.00 179.01 178.68 3mxq h SER 37 N -0.00 0.00 -0.12 1.42 4.64 -1.36 -2.34 113.55 115.79 3mxq h SER 37 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3mxq h SER 37 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3mxq h SER 37 CO -0.41 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.09 3mxq n ARG 38 N -3.26 1.56 -4.45 4.77 1.74 -0.74 -4.95 116.66 111.33 3mxq n ARG 38 Ca -0.03 -1.63 -0.25 0.00 -0.77 0.00 0.00 57.85 55.17 3mxq n ARG 38 Cb 0.08 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3mxq n ARG 38 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mxq s VAL 39 N -1.27 2.51 0.46 1.55 -7.23 -0.88 -4.32 120.40 111.22 3mxq s VAL 39 Ca 0.22 -2.21 0.14 0.00 -1.81 0.00 0.00 61.98 58.32 3mxq s VAL 39 Cb 0.14 -2.56 0.20 0.00 0.56 0.00 0.00 36.38 34.72 3mxq s VAL 39 CO 0.21 -0.29 2.02 0.16 -0.31 0.00 0.00 175.10 176.88 3mxq h ILE 40 N 2.06 1.11 -4.22 -0.62 3.07 -1.92 -3.44 117.51 113.55 3mxq h ILE 40 Ca -0.42 -0.52 -0.50 0.00 1.55 0.00 0.00 64.86 64.97 3mxq h ILE 40 Cb 1.25 1.27 0.06 0.00 -0.27 0.00 0.00 36.82 39.14 3mxq h ILE 40 CO 0.65 0.15 0.35 -0.36 -1.05 0.00 0.00 178.15 177.89 3mxq s PHE 41 N -4.72 3.46 0.18 0.16 0.40 -1.26 -5.10 117.98 111.11 3mxq s PHE 41 Ca -0.04 1.06 0.09 0.00 -0.60 0.00 0.00 56.93 57.44 3mxq s PHE 41 Cb 0.16 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 3mxq s PHE 41 CO 0.69 -0.84 -0.11 0.16 0.70 0.00 0.00 175.22 175.82 3mxq s ASP 42 N -4.26 4.18 0.28 1.36 1.47 -1.26 -4.73 116.67 113.71 3mxq s ASP 42 Ca 0.55 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.67 3mxq s ASP 42 Cb -0.11 -0.68 0.64 0.00 -0.34 0.00 0.00 42.92 42.43 3mxq s ASP 42 CO 0.51 0.10 1.67 1.23 0.68 0.00 0.00 175.17 179.36 3mxq h GLY 43 N 2.90 1.30 0.50 2.12 0.00 -1.93 -0.84 103.07 107.13 3mxq h GLY 43 Ca -0.47 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 46.87 3mxq h GLY 43 CO 0.54 -0.29 0.19 1.05 0.00 0.00 0.00 176.54 178.03 3mxq h GLU 44 N 0.28 0.37 -1.16 4.80 -0.00 -2.01 -2.94 114.58 113.92 3mxq h GLU 44 Ca 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.85 3mxq h GLU 44 Cb 0.97 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.64 3mxq h GLU 44 CO -0.58 0.24 0.00 2.41 -0.00 0.00 0.00 179.01 181.08 3mxq n THR 45 N -5.00 0.31 -1.04 -1.06 -1.04 -0.32 -4.94 114.28 101.20 3mxq n THR 45 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3mxq n THR 45 Cb 0.21 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 3mxq n THR 45 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3mxq n GLN 47 N 0.59 0.00 -1.51 -2.82 7.27 -1.11 -4.81 117.38 114.99 3mxq n GLN 47 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3mxq n GLN 47 Cb 0.20 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.47 3mxq n GLN 47 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mxq n GLY 48 N 0.10 0.38 3.22 1.69 0.00 0.10 -4.99 105.19 105.69 3mxq n GLY 48 Ca 0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 3mxq n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mxq s LYS 49 N -3.03 0.95 -0.07 1.61 1.02 -1.26 -4.87 119.74 114.09 3mxq s LYS 49 Ca 0.00 -1.11 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 3mxq s LYS 49 Cb 0.00 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.36 3mxq s LYS 49 CO 0.00 0.19 1.18 1.21 -0.92 0.00 0.00 175.35 177.01 3mxq s ASN 50 N -2.10 7.07 0.28 2.83 3.84 -1.26 0.56 114.94 126.16 3mxq s ASN 50 Ca 0.04 1.77 -0.02 0.00 0.21 0.00 0.00 52.86 54.86 3mxq s ASN 50 Cb -0.07 -2.56 0.44 0.00 -0.55 0.00 0.00 41.25 38.51 3mxq s ASN 50 CO 0.03 -0.58 1.92 0.40 -2.79 0.00 0.00 177.10 176.07 3mxq h ILE 51 N 5.06 1.13 -0.12 -5.21 2.04 -1.38 -1.65 117.51 117.37 3mxq h ILE 51 Ca -0.33 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3mxq h ILE 51 Cb 1.15 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3mxq h ILE 51 CO 0.89 0.21 -0.12 -0.07 0.00 0.00 0.00 178.15 179.05 3mxq h LEU 52 N 1.13 0.18 0.06 1.44 3.38 -1.90 -0.65 115.31 118.95 3mxq h LEU 52 Ca 0.38 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 58.08 3mxq h LEU 52 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3mxq h LEU 52 CO -0.13 0.32 -1.11 -0.33 0.09 0.00 0.00 178.44 177.28 3mxq h GLU 53 N 0.18 0.13 0.00 1.13 5.08 -1.74 -3.23 114.58 116.14 3mxq h GLU 53 Ca 0.04 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3mxq h GLU 53 Cb 0.33 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3mxq h GLU 53 CO 0.02 1.11 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.63 3mxq h LEU 54 N 0.04 0.00 -5.60 1.33 3.38 -0.54 -3.34 115.31 110.57 3mxq h LEU 54 Ca -0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 3mxq h LEU 54 Cb 1.86 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.20 3mxq h LEU 54 CO 0.17 0.43 -0.99 0.49 0.09 0.00 0.00 178.44 178.63 3mxq n PHE 55 N -3.33 1.70 -0.32 1.13 3.01 -0.32 -4.99 117.46 114.34 3mxq n PHE 55 Ca 0.01 -3.75 0.05 0.00 1.01 0.00 0.00 57.45 54.77 3mxq n PHE 55 Cb 0.64 -0.42 0.20 0.00 -0.01 0.00 0.00 39.48 39.88 3mxq n PHE 55 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3mxq h PRO 56 N 2.97 0.82 0.00 -1.08 0.13 -1.69 1.00 132.00 134.14 3mxq h PRO 56 Ca 0.10 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3mxq h PRO 56 Cb 0.83 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3mxq h PRO 56 CO 0.62 0.54 0.00 0.39 -0.23 0.00 0.00 178.00 179.32 3mxq n GLU 57 N -4.72 0.02 0.00 0.86 1.02 -1.26 -1.24 120.64 115.32 3mxq n GLU 57 Ca 0.16 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3mxq n GLU 57 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3mxq n GLU 57 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3mxq n SER 58 N -1.23 0.08 -0.21 1.62 7.64 0.32 -4.82 113.62 117.01 3mxq n SER 58 Ca 0.01 -0.45 0.01 0.00 1.01 0.00 0.00 58.87 59.45 3mxq n SER 58 Cb 0.01 0.91 0.10 0.00 -1.01 0.00 0.00 64.21 64.23 3mxq n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mxq h ALA 59 N 0.00 0.60 -0.22 -0.43 0.00 -0.84 -1.69 119.26 116.67 3mxq h ALA 59 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3mxq h ALA 59 Cb 0.00 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3mxq h ALA 59 CO 0.00 -0.41 -0.27 -0.44 0.00 0.00 0.00 179.25 178.14 3mxq h ASP 60 N 0.09 -0.85 0.05 0.00 3.45 -1.89 0.19 116.42 117.45 3mxq h ASP 60 Ca 0.33 0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.94 3mxq h ASP 60 Cb 0.55 0.39 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3mxq h ASP 60 CO -0.57 -0.30 -0.02 0.22 -1.57 0.00 0.00 179.24 176.99 3mxq h TYR 61 N -0.29 -0.06 -0.74 4.55 5.03 -1.78 -2.51 116.97 121.17 3mxq h TYR 61 Ca 0.13 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.52 3mxq h TYR 61 Cb 0.49 0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.72 3mxq h TYR 61 CO -0.41 0.16 0.41 -0.07 -1.32 0.00 0.00 178.16 176.94 3mxq h LEU 62 N -0.27 0.59 -0.88 2.82 3.38 -1.12 -1.39 115.31 118.44 3mxq h LEU 62 Ca -0.01 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3mxq h LEU 62 Cb 0.25 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3mxq h LEU 62 CO 0.01 0.35 0.22 0.50 0.09 0.00 0.00 178.44 179.61 3mxq h LYS 63 N 0.72 1.04 -0.59 1.13 3.64 -0.57 0.13 116.57 122.06 3mxq h LYS 63 Ca 0.35 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3mxq h LYS 63 Cb 0.29 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3mxq h LYS 63 CO -0.23 0.89 0.00 -0.09 -2.27 0.00 0.00 179.45 177.75 3mxq h ARG 64 N 1.01 1.02 -0.08 1.90 2.43 -0.91 0.11 114.38 119.86 3mxq h ARG 64 Ca 0.22 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3mxq h ARG 64 Cb 0.28 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3mxq h ARG 64 CO -0.01 1.00 -0.02 0.87 -1.51 0.00 0.00 179.97 180.30 3mxq h LYS 65 N 0.94 0.15 -0.59 0.20 1.79 -0.94 -1.39 116.57 116.74 3mxq h LYS 65 Ca 0.17 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 3mxq h LYS 65 Cb 0.54 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 3mxq h LYS 65 CO 0.03 0.48 -0.03 0.82 -1.08 0.00 0.00 179.45 179.67 3mxq h ILE 66 N -0.19 1.27 -0.36 1.86 2.04 -0.68 -2.77 117.51 118.68 3mxq h ILE 66 Ca 0.02 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.59 3mxq h ILE 66 Cb 0.43 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3mxq h ILE 66 CO 0.01 0.43 -0.22 0.44 0.00 0.00 0.00 178.15 178.80 3mxq h ASP 67 N 0.96 0.70 -0.09 1.72 3.32 -0.80 -1.56 116.42 120.68 3mxq h ASP 67 Ca 0.16 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.01 3mxq h ASP 67 Cb 0.59 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3mxq h ASP 67 CO 0.04 0.91 -0.23 0.74 -1.72 0.00 0.00 179.24 178.98 3mxq h THR 68 N 0.61 0.45 -0.70 0.35 2.02 -1.07 -0.20 112.91 114.38 3mxq h THR 68 Ca 0.09 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.37 3mxq h THR 68 Cb 0.71 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 3mxq h THR 68 CO 0.05 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.26 3mxq h ALA 69 N 0.62 0.96 -0.07 6.16 0.00 -1.21 -0.69 119.26 125.02 3mxq h ALA 69 Ca 0.09 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3mxq h ALA 69 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3mxq h ALA 69 CO -0.27 -0.10 -0.32 -0.07 0.00 0.00 0.00 179.25 178.49 3mxq h LEU 70 N 0.54 0.13 0.02 0.00 3.38 -0.20 -2.21 115.31 116.97 3mxq h LEU 70 Ca 0.35 -0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.92 3mxq h LEU 70 Cb 0.41 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3mxq h LEU 70 CO -0.30 0.45 -2.22 1.33 0.09 0.00 0.00 178.44 177.79 3mxq n VAL 71 N -4.13 1.54 0.84 1.22 0.24 -0.21 -4.32 118.33 113.52 3mxq n VAL 71 Ca -0.01 -0.72 0.12 0.00 -2.04 0.00 0.00 64.34 61.68 3mxq n VAL 71 Cb 0.39 -1.11 0.27 0.00 -1.47 0.00 0.00 33.84 31.92 3mxq n VAL 71 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3mxq n ILE 72 N -3.10 0.26 -3.98 1.34 -5.35 -0.30 -4.96 119.36 103.27 3mxq n ILE 72 Ca -0.34 -0.53 -0.30 0.00 -0.27 0.00 0.00 62.75 61.31 3mxq n ILE 72 Cb 1.07 0.87 0.01 0.00 -1.74 0.00 0.00 39.64 39.84 3mxq n ILE 72 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3mxq n GLU 73 N 1.00 -4.46 -3.69 6.28 1.02 -0.83 -4.96 120.64 115.00 3mxq n GLU 73 Ca 0.17 0.51 -0.11 0.00 -0.02 0.00 0.00 57.16 57.71 3mxq n GLU 73 Cb 0.50 -5.19 -0.06 0.00 -0.02 0.00 0.00 31.44 26.67 3mxq n GLU 73 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mxq s SER 74 N -3.62 -0.20 0.66 1.62 0.15 -1.20 -5.01 113.70 106.09 3mxq s SER 74 Ca 0.49 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 3mxq s SER 74 Cb -0.25 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 3mxq s SER 74 CO 0.86 -0.72 1.05 -0.94 1.20 0.00 0.00 173.24 174.69 3mxq s SER 75 N -2.36 5.85 0.02 5.45 1.04 -1.26 -4.37 113.70 118.07 3mxq s SER 75 Ca -0.02 1.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.79 3mxq s SER 75 Cb 0.01 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 3mxq s SER 75 CO -0.07 -1.11 0.04 -0.94 0.98 0.00 0.00 173.24 172.14 3mxq s SER 76 N -4.12 0.19 -0.05 7.02 1.04 -0.20 -5.00 113.70 112.58 3mxq s SER 76 Ca 0.56 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.51 3mxq s SER 76 Cb -0.12 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.20 3mxq s SER 76 CO 0.54 -0.38 0.10 0.12 0.98 0.00 0.00 173.24 174.59 3mxq s PHE 77 N -1.85 -0.06 0.19 5.02 5.36 -1.26 -1.53 117.98 123.84 3mxq s PHE 77 Ca -0.12 0.37 -0.22 0.00 -0.96 0.00 0.00 56.93 56.00 3mxq s PHE 77 Cb -0.06 -0.26 0.05 0.00 -0.34 0.00 0.00 43.02 42.41 3mxq s PHE 77 CO -0.02 -0.18 0.63 -1.54 -1.46 0.00 0.00 175.22 172.66 3mxq s SER 78 N 1.65 -0.47 0.76 6.13 1.04 -0.62 -5.01 113.70 117.18 3mxq s SER 78 Ca -0.03 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 3mxq s SER 78 Cb -0.12 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.69 3mxq s SER 78 CO -0.04 -1.08 1.12 -0.94 0.98 0.00 0.00 173.24 173.27 3mxq s SER 79 N -2.80 4.38 -0.36 7.02 1.04 -1.26 0.50 113.70 122.21 3mxq s SER 79 Ca 0.04 1.98 -0.29 0.00 0.48 0.00 0.00 55.95 58.16 3mxq s SER 79 Cb -0.02 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3mxq s SER 79 CO -0.07 -2.12 1.34 0.86 0.98 0.00 0.00 173.24 174.23 3mxq s TRP 80 N -2.62 2.55 -0.14 5.02 -0.11 0.10 -4.64 118.94 119.11 3mxq s TRP 80 Ca 0.65 0.76 0.17 0.00 1.22 0.00 0.00 56.10 58.91 3mxq s TRP 80 Cb -0.20 -4.13 -0.10 0.00 -1.50 0.00 0.00 33.47 27.53 3mxq s TRP 80 CO 0.51 -1.82 0.90 0.93 -4.62 0.00 0.00 176.95 172.85 3mxq h GLU 81 N 9.96 0.00 -6.79 5.86 5.08 -1.92 -3.46 114.58 123.32 3mxq h GLU 81 Ca -0.27 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.61 3mxq h GLU 81 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3mxq h GLU 81 CO 1.06 0.26 0.31 -1.14 -1.00 0.00 0.00 179.01 178.50 3mxq s GLN 82 N -2.99 4.62 0.15 2.33 2.00 -1.26 -5.00 119.66 119.51 3mxq s GLN 82 Ca -0.02 1.30 -0.17 0.00 -2.00 0.00 0.00 55.36 54.47 3mxq s GLN 82 Cb 0.09 -2.97 0.03 0.00 0.80 0.00 0.00 33.01 30.96 3mxq s GLN 82 CO 0.80 0.38 1.76 1.57 -0.50 0.00 0.00 175.29 179.30 3mxq h LYS 83 N 3.54 0.26 -6.49 1.67 2.10 -1.98 -3.37 116.57 112.31 3mxq h LYS 83 Ca -0.46 -0.02 -0.57 0.00 -2.00 0.00 0.00 60.65 57.60 3mxq h LYS 83 Cb 1.19 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.41 3mxq h LYS 83 CO 0.66 0.17 0.96 -1.25 -2.00 0.00 0.00 179.45 177.99 3mxq s PRO 84 N -6.16 3.81 0.20 0.07 0.04 -1.26 -5.01 135.00 126.69 3mxq s PRO 84 Ca -0.13 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 3mxq s PRO 84 Cb 0.11 -3.89 -0.08 0.00 0.04 0.00 0.00 34.50 30.68 3mxq s PRO 84 CO 0.71 -1.26 0.94 -1.01 0.04 0.00 0.00 177.00 176.42 3mxq s HIS 85 N 4.51 3.94 0.33 0.56 3.76 -1.26 -4.83 115.29 122.30 3mxq s HIS 85 Ca 0.53 1.88 0.03 0.00 -0.15 0.00 0.00 55.06 57.35 3mxq s HIS 85 Cb -0.12 -2.99 0.62 0.00 1.11 0.00 0.00 32.58 31.20 3mxq s HIS 85 CO 0.26 0.40 1.95 1.25 -0.85 0.00 0.00 174.74 177.75 3mxq h LEU 86 N 4.53 0.79 -8.57 0.89 5.85 -1.94 -3.43 115.31 113.41 3mxq h LEU 86 Ca -0.45 -0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.61 3mxq h LEU 86 Cb 1.20 -0.17 -0.29 0.00 0.37 0.00 0.00 40.66 41.77 3mxq h LEU 86 CO 0.69 0.52 -0.87 -0.76 -0.34 0.00 0.00 178.44 177.68 3mxq s LEU 87 N -9.84 2.07 -0.00 2.25 1.43 -1.26 -4.98 118.68 108.36 3mxq s LEU 87 Ca -0.11 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3mxq s LEU 87 Cb 0.19 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 45.21 3mxq s LEU 87 CO 0.78 0.28 0.95 -0.81 0.23 0.00 0.00 176.35 177.78 3mxq n PRO 88 N 2.34 1.08 -3.74 1.29 -0.04 -1.26 -5.09 135.00 129.58 3mxq n PRO 88 Ca -0.16 -0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 62.87 3mxq n PRO 88 Cb 0.52 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 3mxq n PRO 88 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3mxq s PHE 89 N -1.82 3.49 -0.11 0.54 2.19 -1.26 -5.19 117.98 115.82 3mxq s PHE 89 Ca 0.02 0.48 -0.06 0.00 0.33 0.00 0.00 56.93 57.70 3mxq s PHE 89 Cb 0.01 -1.94 0.01 0.00 -1.31 0.00 0.00 43.02 39.79 3mxq s PHE 89 CO 0.01 0.48 0.13 -1.91 1.83 0.00 0.00 175.22 175.76 3mxq n GLU 100 N 0.19 -0.36 -1.79 10.12 0.00 -1.26 -4.93 120.64 122.61 3mxq n GLU 100 Ca -0.03 0.24 -0.30 0.00 0.00 0.00 0.00 57.16 57.07 3mxq n GLU 100 Cb 0.52 -0.40 0.20 0.00 0.00 0.00 0.00 31.44 31.75 3mxq n GLU 100 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3mxq s GLN 101 N -1.06 0.25 0.00 5.31 -1.52 -1.26 -4.82 119.66 116.56 3mxq s GLN 101 Ca 0.06 -0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.09 3mxq s GLN 101 Cb -0.01 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 30.99 3mxq s GLN 101 CO 0.17 -2.68 0.00 2.48 -0.25 0.00 0.00 175.29 175.01 3mxq n TYR 103 N -3.96 0.00 -4.38 0.91 0.18 -0.27 -0.34 117.16 109.29 3mxq n TYR 103 Ca 0.15 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.61 3mxq n TYR 103 Cb 0.59 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.46 3mxq n TYR 103 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3mxq s GLN 104 N -2.00 2.65 0.10 -3.48 -0.21 -1.26 0.14 119.66 115.59 3mxq s GLN 104 Ca 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 54.76 3mxq s GLN 104 Cb 0.00 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 3mxq s GLN 104 CO 0.00 0.61 -0.03 -0.80 -2.12 0.00 0.00 175.29 172.96 3mxq s ASN 105 N -1.48 4.85 -0.05 5.90 0.01 0.13 0.02 114.94 124.32 3mxq s ASN 105 Ca 0.18 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.12 3mxq s ASN 105 Cb -0.11 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.46 3mxq s ASN 105 CO 0.09 0.17 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.48 3mxq s LEU 106 N -2.33 1.79 -0.12 0.60 2.96 0.18 -0.21 118.68 121.55 3mxq s LEU 106 Ca 0.25 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3mxq s LEU 106 Cb -0.11 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.72 3mxq s LEU 106 CO 0.17 0.09 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.43 3mxq s GLU 107 N 0.35 2.38 -0.20 1.98 2.12 -0.57 -1.59 118.70 123.17 3mxq s GLU 107 Ca -0.09 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.60 3mxq s GLU 107 Cb -0.13 -2.02 -0.01 0.00 0.26 0.00 0.00 34.13 32.23 3mxq s GLU 107 CO 0.03 -0.08 -0.07 0.08 -0.54 0.00 0.00 175.26 174.68 3mxq s VAL 108 N 1.02 3.20 -0.15 3.70 1.01 -0.58 -1.86 120.40 126.74 3mxq s VAL 108 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3mxq s VAL 108 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mxq s VAL 108 CO -0.03 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 3mxq s ILE 109 N 1.23 1.53 0.59 2.22 1.01 -0.23 -1.03 121.20 126.52 3mxq s ILE 109 Ca 0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3mxq s ILE 109 Cb -0.14 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3mxq s ILE 109 CO -0.03 0.45 1.12 -2.16 0.00 0.00 0.00 174.94 174.32 3mxq s PRO 110 N 1.50 3.14 -0.19 2.79 0.04 -1.26 0.20 135.00 141.21 3mxq s PRO 110 Ca 0.05 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 3mxq s PRO 110 Cb -0.13 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.47 3mxq s PRO 110 CO -0.10 -1.00 -0.04 0.42 0.04 0.00 0.00 177.00 176.31 3mxq s ILE 111 N -2.05 1.19 0.12 0.56 1.01 0.46 -4.82 121.20 117.68 3mxq s ILE 111 Ca 0.70 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 3mxq s ILE 111 Cb -0.22 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.76 3mxq s ILE 111 CO 0.33 0.03 0.82 -1.00 0.00 0.00 0.00 174.94 175.12 3mxq s HIS 112 N 1.58 3.84 0.74 3.97 3.76 -1.26 -2.60 115.29 125.31 3mxq s HIS 112 Ca -0.01 1.63 -0.12 0.00 -0.15 0.00 0.00 55.06 56.42 3mxq s HIS 112 Cb -0.17 -2.85 0.03 0.00 1.11 0.00 0.00 32.58 30.70 3mxq s HIS 112 CO -0.07 0.38 1.11 -1.12 -0.85 0.00 0.00 174.74 174.18 3mxq s SER 113 N -0.58 5.16 0.26 1.40 0.01 0.91 -4.90 113.70 115.95 3mxq s SER 113 Ca 0.39 1.08 -0.11 0.00 1.31 0.00 0.00 55.95 58.63 3mxq s SER 113 Cb -0.23 -1.82 0.38 0.00 0.21 0.00 0.00 66.02 64.56 3mxq s SER 113 CO 0.26 -1.52 1.58 1.05 0.41 0.00 0.00 173.24 175.02 3mxq h GLU 114 N -0.78 -0.01 -0.98 12.44 9.09 -1.97 0.21 114.58 132.58 3mxq h GLU 114 Ca -0.45 0.00 0.18 0.00 0.05 0.00 0.00 59.36 59.13 3mxq h GLU 114 Cb 1.27 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.27 3mxq h GLU 114 CO 0.64 -0.00 0.59 0.38 0.05 0.00 0.00 179.01 180.66 3mxq h ASP 115 N -0.01 0.76 0.00 3.06 3.04 -2.04 -3.46 116.42 117.78 3mxq h ASP 115 Ca 0.42 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 54.30 3mxq h ASP 115 Cb 0.65 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 3mxq h ASP 115 CO -0.92 0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.17 3mxq n GLY 116 N -1.33 1.88 3.73 7.15 0.00 0.75 -5.12 105.19 112.25 3mxq n GLY 116 Ca 0.22 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3mxq n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mxq n THR 117 N 0.00 2.13 -2.82 2.61 -2.24 -1.26 -4.26 114.28 108.44 3mxq n THR 117 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3mxq n THR 117 Cb 0.00 -1.74 -0.04 0.00 -2.10 0.00 0.00 70.33 66.45 3mxq n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3mxq s ILE 118 N -1.13 4.40 -0.05 2.28 1.01 -1.26 -0.06 121.20 126.39 3mxq s ILE 118 Ca 0.56 0.50 0.13 0.00 0.00 0.00 0.00 60.65 61.83 3mxq s ILE 118 Cb -0.52 -4.51 -0.20 0.00 0.01 0.00 0.00 42.46 37.25 3mxq s ILE 118 CO 0.62 -1.01 0.30 -0.62 0.00 0.00 0.00 174.94 174.23 3mxq n GLU 119 N 7.39 0.54 -4.14 2.79 1.02 -1.07 -4.80 120.64 122.36 3mxq n GLU 119 Ca 0.04 -0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 56.93 3mxq n GLU 119 Cb 0.48 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 3mxq n GLU 119 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mxq s HIS 120 N -2.86 0.93 0.06 -0.32 3.76 -1.22 -1.46 115.29 114.19 3mxq s HIS 120 Ca -0.04 -0.65 0.07 0.00 -0.15 0.00 0.00 55.06 54.29 3mxq s HIS 120 Cb 0.08 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.22 3mxq s HIS 120 CO 0.54 -0.05 -0.20 0.14 -0.85 0.00 0.00 174.74 174.32 3mxq s VAL 121 N -2.31 1.61 -0.02 -0.90 -7.23 0.50 -0.40 120.40 111.65 3mxq s VAL 121 Ca 0.02 -1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 3mxq s VAL 121 Cb -0.04 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 3mxq s VAL 121 CO -0.01 0.11 0.42 0.00 -0.31 0.00 0.00 175.10 175.32 3mxq s LEU 123 N -0.76 1.84 -0.05 0.00 1.43 0.12 -1.07 118.68 120.19 3mxq s LEU 123 Ca 0.24 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3mxq s LEU 123 Cb -0.16 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3mxq s LEU 123 CO 0.13 0.11 -0.06 0.00 0.23 0.00 0.00 176.35 176.76 3mxq s VAL 125 N 0.90 2.90 -0.01 0.00 1.01 -0.04 -1.52 120.40 123.64 3mxq s VAL 125 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3mxq s VAL 125 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3mxq s VAL 125 CO 0.01 0.47 -0.02 -0.31 0.00 0.00 0.00 175.10 175.25 3mxq s TYR 126 N 1.25 3.04 -0.20 5.22 2.02 0.70 -1.90 117.35 127.48 3mxq s TYR 126 Ca 0.03 0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.73 3mxq s TYR 126 Cb -0.14 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3mxq s TYR 126 CO -0.05 0.44 0.03 -0.51 -1.57 0.00 0.00 175.55 173.89 3mxq s ASP 127 N -1.45 5.09 0.22 2.29 1.01 -1.26 0.21 116.67 122.77 3mxq s ASP 127 Ca 0.18 -0.13 0.10 0.00 0.71 0.00 0.00 52.55 53.41 3mxq s ASP 127 Cb -0.11 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 3mxq s ASP 127 CO 0.09 0.07 -0.09 -0.69 0.21 0.00 0.00 175.17 174.76 3mxq s VAL 128 N 0.95 3.14 -0.07 -1.27 1.01 0.12 -4.98 120.40 119.31 3mxq s VAL 128 Ca 0.02 -1.83 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 3mxq s VAL 128 Cb -0.14 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3mxq s VAL 128 CO 0.02 -0.21 0.04 -0.89 0.00 0.00 0.00 175.10 174.06 3mxq s THR 129 N -1.96 0.08 0.00 3.92 2.01 -1.26 -1.12 115.64 117.31 3mxq s THR 129 Ca 0.27 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3mxq s THR 129 Cb -0.08 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.09 3mxq s THR 129 CO 0.16 0.16 0.00 -0.38 -0.69 0.00 0.00 174.62 173.87 3mxq n ILE 130 N 5.24 0.00 -0.50 1.82 5.41 0.53 -5.04 119.36 126.82 3mxq n ILE 130 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3mxq n ILE 130 Cb 0.50 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 3mxq n ILE 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55