#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7m s ASP 2 N 0.00 2.96 -0.56 3.17 1.01 -1.26 -5.00 116.67 116.99 1u7m s ASP 2 Ca 0.00 0.30 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 1u7m s ASP 2 Cb 0.00 -0.36 0.49 0.00 1.01 0.00 0.00 42.92 44.06 1u7m s ASP 2 CO 0.00 -2.83 1.98 0.00 0.21 0.00 0.00 175.17 174.53 1u7m n TYR 3 N -3.84 2.99 0.07 4.23 4.11 -1.26 -4.18 117.16 119.28 1u7m n TYR 3 Ca 0.15 -2.55 0.00 0.00 -0.00 0.00 0.00 57.90 55.50 1u7m n TYR 3 Cb 0.59 -1.24 0.00 0.00 -0.00 0.00 0.00 39.34 38.69 1u7m n TYR 3 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 1u7m n LEU 4 N -0.86 0.15 0.12 -3.48 -0.00 -1.26 -4.68 117.00 106.99 1u7m n LEU 4 Ca 0.58 0.23 0.04 0.00 -0.00 0.00 0.00 56.01 56.87 1u7m n LEU 4 Cb 0.96 0.10 0.45 0.00 -0.00 0.00 0.00 43.42 44.93 1u7m n LEU 4 CO 0.69 -0.61 0.99 -0.09 -0.00 0.00 0.00 177.39 178.38 1u7m h ARG 5 N 0.00 0.26 -0.93 1.47 2.43 -1.93 -0.51 114.38 115.17 1u7m h ARG 5 Ca 0.00 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1u7m h ARG 5 Cb 0.13 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1u7m h ARG 5 CO 0.00 0.29 0.58 1.49 -1.51 0.00 0.00 179.97 180.83 1u7m h GLU 6 N 0.26 1.02 -0.03 0.20 4.57 -1.89 -2.39 114.58 116.31 1u7m h GLU 6 Ca 0.06 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1u7m h GLU 6 Cb 0.19 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1u7m h GLU 6 CO 0.00 0.68 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.29 1u7m h LEU 7 N 1.05 0.18 -1.32 1.64 3.38 -1.43 -3.29 115.31 115.52 1u7m h LEU 7 Ca 0.41 -0.67 0.27 0.00 0.09 0.00 0.00 57.88 57.98 1u7m h LEU 7 Cb 0.19 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 1u7m h LEU 7 CO -0.18 0.81 0.66 0.22 0.09 0.00 0.00 178.44 180.05 1u7m h TYR 8 N -0.45 0.69 0.39 1.13 5.03 -1.10 0.50 116.97 123.16 1u7m h TYR 8 Ca -0.01 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 1u7m h TYR 8 Cb 0.81 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1u7m h TYR 8 CO 0.15 0.06 -0.19 0.87 -1.32 0.00 0.00 178.16 177.73 1u7m h LYS 9 N 0.41 -0.50 -0.49 1.82 1.79 -1.49 0.09 116.57 118.19 1u7m h LYS 9 Ca 0.60 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1u7m h LYS 9 Cb 1.50 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.24 1u7m h LYS 9 CO -0.32 -0.19 0.31 -0.07 -1.08 0.00 0.00 179.45 178.10 1u7m h LEU 10 N -0.92 0.57 -0.61 2.94 4.07 -1.57 -0.17 115.31 119.61 1u7m h LEU 10 Ca -0.05 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 57.94 1u7m h LEU 10 Cb 0.55 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 42.09 1u7m h LEU 10 CO 0.09 0.43 0.33 -0.33 -1.08 0.00 0.00 178.44 177.88 1u7m h GLU 11 N 0.67 0.60 0.00 1.13 4.39 -0.89 -2.13 114.58 118.34 1u7m h GLU 11 Ca 0.18 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 1u7m h GLU 11 Cb -0.05 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1u7m h GLU 11 CO -0.04 0.39 -0.45 1.96 -1.16 0.00 0.00 179.01 179.71 1u7m h GLN 12 N 0.61 0.00 -0.53 2.33 4.20 -0.13 -2.39 115.11 119.21 1u7m h GLN 12 Ca 0.27 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 1u7m h GLN 12 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1u7m h GLN 12 CO -0.18 0.45 0.03 1.96 -0.67 0.00 0.00 178.83 180.43 1u7m h GLN 13 N 0.00 0.87 -0.34 1.46 1.08 -0.89 0.06 115.11 117.36 1u7m h GLN 13 Ca -0.00 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 56.91 1u7m h GLN 13 Cb 1.32 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1u7m h GLN 13 CO 0.06 0.85 0.02 0.00 -0.95 0.00 0.00 178.83 178.81 1u7m h ALA 14 N 1.21 0.46 -0.86 3.87 0.00 -1.35 -1.90 119.26 120.69 1u7m h ALA 14 Ca 0.16 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1u7m h ALA 14 Cb 0.45 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1u7m h ALA 14 CO 0.02 0.20 0.55 0.52 0.00 0.00 0.00 179.25 180.53 1u7m h MET 15 N 0.40 1.00 -0.02 0.00 2.86 -0.97 0.12 114.93 118.33 1u7m h MET 15 Ca 0.10 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1u7m h MET 15 Cb 0.42 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1u7m h MET 15 CO 0.01 0.66 -0.79 0.87 1.06 0.00 0.00 176.91 178.73 1u7m h LYS 16 N 1.04 0.22 -0.85 1.72 1.57 -1.00 -1.33 116.57 117.94 1u7m h LYS 16 Ca 0.36 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1u7m h LYS 16 Cb 0.08 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1u7m h LYS 16 CO -0.14 0.90 0.53 -0.07 -0.57 0.00 0.00 179.45 180.10 1u7m h LEU 17 N 0.14 0.85 -1.26 2.94 3.38 -0.85 -2.59 115.31 117.92 1u7m h LEU 17 Ca -0.03 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1u7m h LEU 17 Cb 1.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1u7m h LEU 17 CO 0.12 0.56 -0.16 1.88 0.09 0.00 0.00 178.44 180.93 1u7m h TYR 18 N 1.00 0.32 -0.20 1.13 0.05 -0.41 0.49 116.97 119.35 1u7m h TYR 18 Ca 0.36 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 1u7m h TYR 18 Cb 0.12 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1u7m h TYR 18 CO -0.03 0.46 0.09 0.00 -1.05 0.00 0.00 178.16 177.63 1u7m h ARG 19 N 0.28 0.29 -0.07 4.88 3.08 -0.90 -1.82 114.38 120.11 1u7m h ARG 19 Ca 0.05 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.82 1u7m h ARG 19 Cb 0.46 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1u7m h ARG 19 CO 0.03 0.33 -0.90 1.49 -1.07 0.00 0.00 179.97 179.85 1u7m h GLU 20 N 0.18 0.69 -0.70 0.04 4.22 -1.28 -2.88 114.58 114.86 1u7m h GLU 20 Ca 0.07 -0.65 0.06 0.00 0.08 0.00 0.00 59.36 58.92 1u7m h GLU 20 Cb 0.14 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1u7m h GLU 20 CO -0.01 1.25 0.46 0.00 -2.18 0.00 0.00 179.01 178.53 1u7m h ALA 21 N 0.55 1.71 -0.30 2.92 0.00 -0.97 -1.50 119.26 121.67 1u7m h ALA 21 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1u7m h ALA 21 Cb 1.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1u7m h ALA 21 CO 0.18 0.18 0.10 1.03 0.00 0.00 0.00 179.25 180.74 1u7m h SER 22 N 0.74 0.38 -0.23 0.00 0.87 -1.10 0.17 113.55 114.37 1u7m h SER 22 Ca 0.30 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1u7m h SER 22 Cb 0.24 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1u7m h SER 22 CO -0.10 0.36 -0.29 -0.08 -0.53 0.00 0.00 176.83 176.20 1u7m h GLU 23 N 0.42 0.60 -0.42 2.24 4.81 -1.21 -2.80 114.58 118.23 1u7m h GLU 23 Ca 0.10 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1u7m h GLU 23 Cb 0.12 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1u7m h GLU 23 CO -0.01 0.94 0.24 0.87 -0.73 0.00 0.00 179.01 180.33 1u7m h LYS 24 N 0.30 0.57 -0.90 1.92 6.56 -1.14 -3.21 116.57 120.67 1u7m h LYS 24 Ca 0.03 -0.06 -0.09 0.00 -1.06 0.00 0.00 60.65 59.47 1u7m h LYS 24 Cb 0.86 -0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 32.35 1u7m h LYS 24 CO 0.07 0.44 0.12 0.00 -2.06 0.00 0.00 179.45 178.01 1u7m n ALA 25 N -2.24 3.39 0.25 3.86 0.00 0.58 -4.69 120.51 121.65 1u7m n ALA 25 Ca 0.01 -0.98 0.15 0.00 0.00 0.00 0.00 53.44 52.62 1u7m n ALA 25 Cb 0.06 -1.11 0.68 0.00 0.00 0.00 0.00 19.45 19.08 1u7m n ALA 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1u7m h ARG 26 N 1.13 0.00 -6.64 0.00 -0.00 -1.50 -2.99 114.38 104.39 1u7m h ARG 26 Ca 0.12 0.00 -0.54 0.00 -0.00 0.00 0.00 59.98 59.55 1u7m h ARG 26 Cb 1.41 0.00 0.07 0.00 -0.00 0.00 0.00 29.97 31.44 1u7m h ARG 26 CO 0.32 0.00 0.92 -1.71 -0.00 0.00 0.00 179.97 179.50 1u7m n ASN 27 N -3.07 3.71 0.30 0.08 2.85 -1.26 -4.80 115.26 113.07 1u7m n ASN 27 Ca 0.02 1.08 0.18 0.00 -0.11 0.00 0.00 54.58 55.75 1u7m n ASN 27 Cb 0.57 -1.54 0.91 0.00 1.24 0.00 0.00 39.78 40.97 1u7m n ASN 27 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1u7m h PRO 28 N 6.10 0.00 -0.10 1.20 0.13 -1.97 -0.93 132.00 136.44 1u7m h PRO 28 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1u7m h PRO 28 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1u7m h PRO 28 CO 0.90 0.04 0.01 1.49 -0.23 0.00 0.00 178.00 180.22 1u7m h GLU 29 N 0.00 0.13 0.00 0.86 4.57 -1.91 -2.62 114.58 115.61 1u7m h GLU 29 Ca -0.00 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1u7m h GLU 29 Cb 0.23 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1u7m h GLU 29 CO 0.01 0.14 -1.57 1.17 -1.18 0.00 0.00 179.01 177.57 1u7m n LYS 30 N -4.47 1.88 0.23 1.92 4.81 -0.90 -4.32 118.16 117.31 1u7m n LYS 30 Ca -0.02 0.02 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1u7m n LYS 30 Cb 0.13 -1.21 0.86 0.00 0.02 0.00 0.00 35.03 34.83 1u7m n LYS 30 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1u7m h LYS 31 N 0.00 0.00 -0.63 1.64 3.11 -1.03 0.00 116.57 119.66 1u7m h LYS 31 Ca -0.22 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1u7m h LYS 31 Cb 1.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 1u7m h LYS 31 CO -0.00 0.00 0.00 0.45 -2.81 0.00 0.00 179.45 177.09 1u7m n SER 32 N -3.60 4.31 -0.02 4.20 2.88 -0.99 -3.65 113.62 116.75 1u7m n SER 32 Ca 0.01 -2.29 -0.03 0.00 -1.33 0.00 0.00 58.87 55.23 1u7m n SER 32 Cb 0.33 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.26 1u7m n SER 32 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1u7m n VAL 33 N 1.17 0.19 0.35 2.46 0.31 -0.13 -4.60 118.33 118.08 1u7m n VAL 33 Ca 0.24 -0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.65 1u7m n VAL 33 Cb 0.76 -1.18 0.57 0.00 -0.91 0.00 0.00 33.84 33.07 1u7m n VAL 33 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1u7m h LEU 34 N -0.08 0.00 -0.98 7.52 -0.00 -1.46 -3.15 115.31 117.17 1u7m h LEU 34 Ca -0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1u7m h LEU 34 Cb 1.09 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.69 1u7m h LEU 34 CO -0.04 0.00 0.64 -0.61 -0.00 0.00 0.00 178.44 178.44 1u7m h GLN 35 N 0.00 1.21 -0.13 0.17 -0.00 -1.78 -1.03 115.11 113.55 1u7m h GLN 35 Ca 0.00 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.65 58.43 1u7m h GLN 35 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 1u7m h GLN 35 CO 0.00 0.80 -0.55 0.87 0.00 0.00 0.00 178.83 179.95 1u7m h LYS 36 N 1.24 0.39 -0.07 1.69 6.56 -1.82 -0.96 116.57 123.60 1u7m h LYS 36 Ca 0.39 -0.24 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 1u7m h LYS 36 Cb -0.00 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1u7m h LYS 36 CO -0.12 0.84 0.02 0.82 -2.06 0.00 0.00 179.45 178.94 1u7m h ILE 37 N 0.30 1.19 -0.69 1.86 2.04 -1.67 -1.73 117.51 118.81 1u7m h ILE 37 Ca 0.00 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.40 1u7m h ILE 37 Cb 1.06 1.46 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 1u7m h ILE 37 CO 0.09 0.16 0.24 -0.07 0.00 0.00 0.00 178.15 178.58 1u7m h LEU 38 N -0.11 0.19 -0.47 1.44 3.38 -0.93 0.66 115.31 119.48 1u7m h LEU 38 Ca 0.02 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1u7m h LEU 38 Cb 0.25 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1u7m h LEU 38 CO 0.00 0.08 -0.31 -0.08 0.09 0.00 0.00 178.44 178.22 1u7m h GLU 39 N 0.39 0.93 -0.82 1.13 4.81 -1.15 -1.79 114.58 118.08 1u7m h GLU 39 Ca 0.37 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1u7m h GLU 39 Cb 0.54 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1u7m h GLU 39 CO -0.39 1.11 0.41 -0.44 -0.73 0.00 0.00 179.01 178.96 1u7m h ASP 40 N 0.78 1.05 -0.03 1.04 3.32 -0.68 -2.25 116.42 119.65 1u7m h ASP 40 Ca 0.08 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 1u7m h ASP 40 Cb 0.89 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.18 1u7m h ASP 40 CO 0.08 0.87 -0.76 -0.33 -1.72 0.00 0.00 179.24 177.39 1u7m h GLU 41 N 1.16 0.68 -0.70 3.56 4.39 -0.77 -2.45 114.58 120.45 1u7m h GLU 41 Ca 0.28 -0.55 0.08 0.00 0.34 0.00 0.00 59.36 59.51 1u7m h GLU 41 Cb 0.09 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 1u7m h GLU 41 CO -0.04 1.17 0.46 1.49 -1.16 0.00 0.00 179.01 180.93 1u7m h GLU 42 N 0.47 0.64 -0.41 2.33 4.81 -1.24 -1.42 114.58 119.75 1u7m h GLU 42 Ca -0.04 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1u7m h GLU 42 Cb 1.37 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1u7m h GLU 42 CO 0.15 0.42 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.58 1u7m h LYS 43 N 0.66 0.76 -0.73 1.92 1.63 -1.16 -3.02 116.57 116.63 1u7m h LYS 43 Ca 0.31 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1u7m h LYS 43 Cb 0.36 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1u7m h LYS 43 CO -0.10 0.87 0.46 0.45 -3.45 0.00 0.00 179.45 177.67 1u7m h HIS 44 N 0.58 0.95 -0.83 1.91 3.86 -0.93 -2.80 115.15 117.88 1u7m h HIS 44 Ca 0.11 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1u7m h HIS 44 Cb 0.56 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.66 1u7m h HIS 44 CO 0.04 0.62 0.54 0.82 0.86 0.00 0.00 177.93 180.81 1u7m h ILE 45 N 1.00 1.02 -0.59 2.45 5.03 -1.22 0.49 117.51 125.69 1u7m h ILE 45 Ca 0.27 -0.30 -0.09 0.00 -0.12 0.00 0.00 64.86 64.61 1u7m h ILE 45 Cb -0.07 0.07 -0.02 0.00 -3.03 0.00 0.00 36.82 33.77 1u7m h ILE 45 CO -0.05 0.16 0.01 -0.33 -0.68 0.00 0.00 178.15 177.26 1u7m h GLU 46 N 0.87 1.03 -0.17 2.37 4.39 -1.37 -3.02 114.58 118.68 1u7m h GLU 46 Ca 0.36 -0.32 -0.18 0.00 0.34 0.00 0.00 59.36 59.56 1u7m h GLU 46 Cb 0.28 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1u7m h GLU 46 CO -0.14 1.01 -0.64 -1.49 -1.16 0.00 0.00 179.01 176.60 1u7m h TRP 47 N 0.93 0.80 -0.46 4.33 6.55 -1.19 -2.47 115.95 124.43 1u7m h TRP 47 Ca 0.17 -0.31 0.09 0.00 0.95 0.00 0.00 58.89 59.78 1u7m h TRP 47 Cb 0.54 -0.14 -0.08 0.00 -0.86 0.00 0.00 29.16 28.62 1u7m h TRP 47 CO 0.04 1.09 -0.01 -0.07 -1.05 0.00 0.00 178.44 178.44 1u7m h LEU 48 N 0.45 -0.21 -0.61 -4.49 -0.00 -0.93 0.57 115.31 110.10 1u7m h LEU 48 Ca -0.01 0.11 -0.12 0.00 -0.00 0.00 0.00 57.88 57.86 1u7m h LEU 48 Cb 1.22 0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 42.06 1u7m h LEU 48 CO 0.12 -0.07 -0.16 -0.08 -0.00 0.00 0.00 178.44 178.26 1u7m h GLU 49 N 0.11 0.94 -0.05 1.13 4.57 -1.50 -2.53 114.58 117.24 1u7m h GLU 49 Ca 0.23 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1u7m h GLU 49 Cb 0.34 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1u7m h GLU 49 CO -0.39 1.02 -0.01 1.15 -1.18 0.00 0.00 179.01 179.60 1u7m h THR 50 N 0.83 1.05 0.00 0.32 2.02 -0.92 -2.22 112.91 113.99 1u7m h THR 50 Ca 0.12 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1u7m h THR 50 Cb 0.70 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1u7m h THR 50 CO 0.05 0.06 -0.06 0.40 0.37 0.00 0.00 175.52 176.34 1u7m h ILE 51 N 0.07 0.06 -4.10 3.11 2.04 -0.67 -3.47 117.51 114.56 1u7m h ILE 51 Ca 0.02 -1.09 -0.48 0.00 1.00 0.00 0.00 64.86 64.31 1u7m h ILE 51 Cb 0.08 2.02 0.14 0.00 -0.74 0.00 0.00 36.82 38.32 1u7m h ILE 51 CO 0.00 0.04 0.26 0.21 0.00 0.00 0.00 178.15 178.66 1u7m s ASN 52 N -6.21 3.57 0.00 1.72 2.47 -0.84 -5.07 114.94 110.59 1u7m s ASN 52 Ca 0.07 1.45 0.00 0.00 0.42 0.00 0.00 52.86 54.80 1u7m s ASN 52 Cb 0.05 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.72 1u7m s ASN 52 CO 0.68 -2.57 0.00 0.61 -3.72 0.00 0.00 177.10 172.10