#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 n VAL 4 N 0.00 -0.58 -2.32 -3.33 3.14 -1.26 -5.12 118.33 108.86 2wb1 n VAL 4 Ca 0.00 -3.44 -0.43 0.00 -2.96 0.00 0.00 64.34 57.51 2wb1 n VAL 4 Cb 0.00 -1.23 -0.02 0.00 -1.06 0.00 0.00 33.84 31.53 2wb1 n VAL 4 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2wb1 s TYR 5 N -0.71 2.75 -0.03 1.45 2.02 -1.26 -5.00 117.35 116.57 2wb1 s TYR 5 Ca 0.34 0.86 -0.21 0.00 -0.37 0.00 0.00 57.07 57.69 2wb1 s TYR 5 Cb 0.17 -3.59 -0.05 0.00 -0.40 0.00 0.00 41.96 38.09 2wb1 s TYR 5 CO -0.14 -2.16 0.62 0.42 -1.57 0.00 0.00 175.55 172.72 2wb1 s ILE 6 N 3.16 4.97 0.00 2.71 1.09 -1.26 -4.97 121.20 126.90 2wb1 s ILE 6 Ca 0.60 1.28 0.00 0.00 -1.10 0.00 0.00 60.65 61.43 2wb1 s ILE 6 Cb -0.26 -3.95 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 2wb1 s ILE 6 CO 0.21 0.36 0.00 0.55 -0.10 0.00 0.00 174.94 175.96 2wb1 n VAL 7 N 3.11 0.00 -3.71 2.92 3.14 -1.26 -5.02 118.33 117.51 2wb1 n VAL 7 Ca -0.05 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.06 2wb1 n VAL 7 Cb 0.51 -0.33 -0.17 0.00 -1.06 0.00 0.00 33.84 32.79 2wb1 n VAL 7 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2wb1 s GLU 8 N -1.81 0.52 -0.22 1.45 0.41 -1.26 -5.12 118.70 112.66 2wb1 s GLU 8 Ca 0.00 -0.29 -0.06 0.00 -0.41 0.00 0.00 54.97 54.21 2wb1 s GLU 8 Cb 0.00 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.40 2wb1 s GLU 8 CO 0.00 -0.61 0.01 -1.21 -0.49 0.00 0.00 175.26 172.96 2wb1 s GLU 9 N 1.93 3.56 0.21 1.61 2.02 -1.26 -5.09 118.70 121.68 2wb1 s GLU 9 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.46 2wb1 s GLU 9 Cb -0.16 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 2wb1 s GLU 9 CO -0.08 -0.13 0.08 -1.01 0.02 0.00 0.00 175.26 174.15 2wb1 s HIS 10 N 1.38 1.30 -0.02 1.61 3.76 -1.26 -5.14 115.29 116.92 2wb1 s HIS 10 Ca 0.05 -1.21 0.08 0.00 -0.15 0.00 0.00 55.06 53.82 2wb1 s HIS 10 Cb -0.15 -0.72 -0.02 0.00 1.11 0.00 0.00 32.58 32.80 2wb1 s HIS 10 CO 0.01 -0.41 -0.25 0.71 -0.85 0.00 0.00 174.74 173.95 2wb1 s TYR 11 N -3.88 2.37 -0.12 1.40 2.02 -1.26 -5.13 117.35 112.75 2wb1 s TYR 11 Ca 0.34 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2wb1 s TYR 11 Cb 0.07 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.10 2wb1 s TYR 11 CO 0.10 0.00 -0.06 0.42 -1.57 0.00 0.00 175.55 174.44 2wb1 s ILE 12 N -0.64 3.76 0.39 2.71 1.01 -1.26 -4.94 121.20 122.23 2wb1 s ILE 12 Ca 0.10 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 2wb1 s ILE 12 Cb -0.10 -2.60 -0.11 0.00 0.01 0.00 0.00 42.46 39.67 2wb1 s ILE 12 CO -0.00 0.54 0.93 -2.16 0.00 0.00 0.00 174.94 174.24 2wb1 s PRO 13 N -0.15 4.30 0.32 2.79 0.04 -1.26 -4.81 135.00 136.24 2wb1 s PRO 13 Ca 0.02 1.13 0.09 0.00 0.04 0.00 0.00 61.00 62.29 2wb1 s PRO 13 Cb -0.13 -2.37 0.93 0.00 0.04 0.00 0.00 34.50 32.97 2wb1 s PRO 13 CO 0.03 0.07 1.65 1.88 0.04 0.00 0.00 177.00 180.67 2wb1 h TYR 14 N 2.29 0.66 -0.01 0.56 0.05 -1.92 -2.30 116.97 116.30 2wb1 h TYR 14 Ca -0.48 0.04 -0.17 0.00 0.05 0.00 0.00 58.73 58.17 2wb1 h TYR 14 Cb 1.18 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 2wb1 h TYR 14 CO 0.62 -0.21 -0.77 0.66 -1.05 0.00 0.00 178.16 177.42 2wb1 h SER 15 N 0.26 0.09 0.75 3.88 4.64 -1.91 -3.30 113.55 117.96 2wb1 h SER 15 Ca 0.66 -0.07 -0.25 0.00 -0.47 0.00 0.00 61.79 61.66 2wb1 h SER 15 Cb 1.44 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.47 2wb1 h SER 15 CO -0.64 0.82 -1.30 1.62 -0.87 0.00 0.00 176.83 176.46 2wb1 h VAL 16 N 0.05 1.37 -0.17 0.95 3.04 -1.59 -3.26 116.25 116.63 2wb1 h VAL 16 Ca -0.02 -3.10 0.05 0.00 -1.01 0.00 0.00 66.70 62.62 2wb1 h VAL 16 Cb 1.35 2.71 -0.01 0.00 -2.01 0.00 0.00 31.29 33.33 2wb1 h VAL 16 CO 0.11 0.81 0.28 0.00 -1.01 0.00 0.00 177.57 177.75 2wb1 h ALA 17 N 0.91 1.68 0.23 3.17 0.00 -1.61 -0.47 119.26 123.17 2wb1 h ALA 17 Ca -0.13 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2wb1 h ALA 17 Cb 1.89 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 2wb1 h ALA 17 CO 0.12 -0.37 -0.44 0.87 0.00 0.00 0.00 179.25 179.43 2wb1 h LYS 18 N 0.00 -0.73 -0.30 0.00 1.57 -1.69 -1.30 116.57 114.12 2wb1 h LYS 18 Ca 0.08 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wb1 h LYS 18 Cb 0.65 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2wb1 h LYS 18 CO -0.00 -0.49 0.00 1.63 -0.57 0.00 0.00 179.45 180.02 2wb1 n LYS 19 N -5.49 0.64 -0.05 3.15 5.02 -0.19 -0.31 118.16 120.94 2wb1 n LYS 19 Ca -0.09 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.12 2wb1 n LYS 19 Cb 0.40 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 2wb1 n LYS 19 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wb1 n LEU 20 N -0.18 2.61 -0.01 -0.35 4.32 -0.89 -4.58 117.00 117.92 2wb1 n LEU 20 Ca 0.00 -0.02 0.12 0.00 -0.02 0.00 0.00 56.01 56.09 2wb1 n LEU 20 Cb 0.08 -0.36 0.32 0.00 -1.62 0.00 0.00 43.42 41.83 2wb1 n LEU 20 CO 0.00 0.60 0.54 0.18 -1.22 0.00 0.00 177.39 177.49 2wb1 n LEU 21 N -2.93 0.44 0.19 2.23 4.32 -0.54 -3.13 117.00 117.57 2wb1 n LEU 21 Ca -0.19 0.07 0.08 0.00 -0.02 0.00 0.00 56.01 55.95 2wb1 n LEU 21 Cb 0.69 -0.28 0.11 0.00 -1.62 0.00 0.00 43.42 42.31 2wb1 n LEU 21 CO 0.09 0.11 0.66 0.77 -1.22 0.00 0.00 177.39 177.79 2wb1 h SER 22 N 0.04 0.00 0.66 -1.43 4.64 -0.91 -3.27 113.55 113.27 2wb1 h SER 22 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2wb1 h SER 22 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2wb1 h SER 22 CO 0.00 0.21 -0.58 0.44 -0.87 0.00 0.00 176.83 176.03 2wb1 h ASP 23 N 0.00 0.00 0.55 4.97 5.19 -1.77 -2.57 116.42 122.79 2wb1 h ASP 23 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wb1 h ASP 23 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2wb1 h ASP 23 CO 0.03 0.58 0.00 1.62 -3.12 0.00 0.00 179.24 178.35 2wb1 h VAL 24 N 0.00 0.00 -1.36 -1.35 3.04 -1.66 -2.91 116.25 112.01 2wb1 h VAL 24 Ca -0.01 -0.20 -0.59 0.00 -1.01 0.00 0.00 66.70 64.89 2wb1 h VAL 24 Cb 1.06 0.93 -0.21 0.00 -2.01 0.00 0.00 31.29 31.06 2wb1 h VAL 24 CO 0.08 0.00 0.65 -0.38 -1.01 0.00 0.00 177.57 176.90 2wb1 n ILE 25 N -2.42 3.40 0.00 3.17 2.08 -0.97 -4.07 119.36 120.56 2wb1 n ILE 25 Ca 0.01 -3.37 0.00 0.00 0.56 0.00 0.00 62.75 59.94 2wb1 n ILE 25 Cb 0.18 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 2wb1 n ILE 25 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wb1 n LYS 26 N 0.28 3.22 0.21 0.38 5.02 -1.10 -5.02 118.16 121.15 2wb1 n LYS 26 Ca 0.50 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2wb1 n LYS 26 Cb 0.45 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 2wb1 n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wb1 n SER 27 N -0.52 -2.96 -4.31 4.39 3.41 -1.26 -5.10 113.62 107.27 2wb1 n SER 27 Ca 0.00 0.77 -0.40 0.00 -0.26 0.00 0.00 58.87 58.98 2wb1 n SER 27 Cb 0.00 2.82 -0.10 0.00 -0.26 0.00 0.00 64.21 66.67 2wb1 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wb1 s GLY 28 N -2.94 1.95 0.33 5.00 0.00 -1.26 -5.07 107.32 105.33 2wb1 s GLY 28 Ca 0.00 -1.97 -0.29 0.00 0.00 0.00 0.00 44.72 42.46 2wb1 s GLY 28 CO 0.00 0.92 1.47 -1.35 0.00 0.00 0.00 173.10 174.14 2wb1 s SER 29 N 1.90 6.48 0.68 1.64 1.04 -1.26 -4.68 113.70 119.49 2wb1 s SER 29 Ca 0.02 2.90 -0.04 0.00 0.48 0.00 0.00 55.95 59.31 2wb1 s SER 29 Cb -0.21 -2.65 0.07 0.00 0.10 0.00 0.00 66.02 63.33 2wb1 s SER 29 CO 0.04 -0.79 0.96 -0.94 0.98 0.00 0.00 173.24 173.49 2wb1 s SER 30 N 0.03 4.76 0.59 7.02 1.04 -1.26 -5.11 113.70 120.77 2wb1 s SER 30 Ca 0.56 0.18 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 2wb1 s SER 30 Cb -0.45 -0.82 0.08 0.00 0.10 0.00 0.00 66.02 64.93 2wb1 s SER 30 CO 0.54 -1.59 0.52 -1.54 0.98 0.00 0.00 173.24 172.16 2wb1 n SER 31 N -2.80 0.64 0.05 7.02 3.41 -1.26 -4.86 113.62 115.81 2wb1 n SER 31 Ca 0.10 -1.55 0.07 0.00 -0.26 0.00 0.00 58.87 57.22 2wb1 n SER 31 Cb 0.60 -0.34 0.31 0.00 -0.26 0.00 0.00 64.21 64.53 2wb1 n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wb1 n ASN 32 N -2.99 0.21 -0.11 4.04 4.13 -1.26 -1.66 115.26 117.62 2wb1 n ASN 32 Ca 0.08 0.56 0.14 0.00 1.68 0.00 0.00 54.58 57.05 2wb1 n ASN 32 Cb 0.30 -0.60 0.65 0.00 -1.54 0.00 0.00 39.78 38.59 2wb1 n ASN 32 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wb1 n LEU 33 N -1.75 0.43 -0.03 3.41 4.32 -1.26 -2.66 117.00 119.47 2wb1 n LEU 33 Ca 0.02 0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 55.98 2wb1 n LEU 33 Cb 0.13 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 41.74 2wb1 n LEU 33 CO 0.12 0.08 -0.69 0.18 -1.22 0.00 0.00 177.39 175.86 2wb1 n LEU 34 N -0.93 2.99 0.27 2.23 4.32 -0.76 -4.44 117.00 120.67 2wb1 n LEU 34 Ca 0.16 -0.03 0.18 0.00 -0.02 0.00 0.00 56.01 56.30 2wb1 n LEU 34 Cb 0.26 -0.20 0.93 0.00 -1.62 0.00 0.00 43.42 42.80 2wb1 n LEU 34 CO 0.23 0.59 1.04 1.56 -1.22 0.00 0.00 177.39 179.59 2wb1 h GLN 35 N -0.00 0.00 0.07 3.23 4.20 -1.44 0.61 115.11 121.78 2wb1 h GLN 35 Ca -0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2wb1 h GLN 35 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2wb1 h GLN 35 CO -0.02 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.11 2wb1 h ARG 36 N 0.00 -0.09 -0.15 1.46 3.08 -1.77 -3.11 114.38 113.80 2wb1 h ARG 36 Ca 0.00 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2wb1 h ARG 36 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2wb1 h ARG 36 CO 0.00 0.48 -0.21 1.15 -1.07 0.00 0.00 179.97 180.32 2wb1 h THR 37 N -0.81 1.22 -0.43 2.04 2.02 -1.33 1.00 112.91 116.62 2wb1 h THR 37 Ca -0.01 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 2wb1 h THR 37 Cb 0.61 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2wb1 h THR 37 CO 0.02 0.31 0.02 0.22 0.37 0.00 0.00 175.52 176.45 2wb1 h TYR 38 N 0.23 0.81 0.00 3.16 3.20 0.01 -2.55 116.97 121.83 2wb1 h TYR 38 Ca 0.04 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.68 2wb1 h TYR 38 Cb 0.51 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2wb1 h TYR 38 CO 0.01 0.80 -0.54 -0.44 -1.64 0.00 0.00 178.16 176.35 2wb1 h ASP 39 N 0.59 0.00 0.03 -2.11 5.19 -1.43 -3.30 116.42 115.40 2wb1 h ASP 39 Ca 0.12 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 2wb1 h ASP 39 Cb 0.46 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2wb1 h ASP 39 CO 0.02 0.45 -0.40 0.22 -3.12 0.00 0.00 179.24 176.41 2wb1 h TYR 40 N 0.00 0.56 0.00 4.55 3.20 -0.72 -2.84 116.97 121.72 2wb1 h TYR 40 Ca -0.02 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.62 2wb1 h TYR 40 Cb 1.36 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2wb1 h TYR 40 CO 0.00 0.80 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.88 2wb1 h LEU 41 N 0.40 0.00 -0.20 2.82 4.07 -1.53 -2.50 115.31 118.36 2wb1 h LEU 41 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2wb1 h LEU 41 Cb 0.87 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2wb1 h LEU 41 CO 0.07 0.38 0.09 0.78 -1.08 0.00 0.00 178.44 178.67 2wb1 h ASN 42 N 0.00 0.28 1.14 -0.43 2.35 -1.59 -2.75 115.58 114.57 2wb1 h ASN 42 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2wb1 h ASN 42 Cb 0.77 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2wb1 h ASN 42 CO 0.05 0.35 -0.29 -1.54 -1.65 0.00 0.00 177.43 174.36 2wb1 n SER 43 N -4.84 0.69 0.03 5.81 3.41 -1.19 -3.73 113.62 113.81 2wb1 n SER 43 Ca -0.04 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.02 2wb1 n SER 43 Cb 0.12 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2wb1 n SER 43 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2wb1 n VAL 44 N -2.10 0.18 -1.65 -3.33 3.14 -0.95 -4.95 118.33 108.67 2wb1 n VAL 44 Ca 0.05 -0.27 -0.42 0.00 -2.96 0.00 0.00 64.34 60.73 2wb1 n VAL 44 Cb 0.42 0.19 -0.03 0.00 -1.06 0.00 0.00 33.84 33.36 2wb1 n VAL 44 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wb1 n GLU 45 N -2.01 2.68 -0.11 1.45 1.02 -1.04 -4.86 120.64 117.77 2wb1 n GLU 45 Ca 0.01 0.94 0.06 0.00 -0.02 0.00 0.00 57.16 58.16 2wb1 n GLU 45 Cb 0.45 -3.06 0.09 0.00 -0.02 0.00 0.00 31.44 28.90 2wb1 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wb1 n LYS 46 N 7.81 1.36 -0.98 3.49 4.01 -1.26 -5.07 118.16 127.52 2wb1 n LYS 46 Ca 0.22 -2.10 0.00 0.00 -0.51 0.00 0.00 58.31 55.93 2wb1 n LYS 46 Cb 0.42 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.70 2wb1 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wb1 s ASP 48 N -0.44 6.60 0.00 0.00 2.15 -1.26 -4.97 116.67 118.75 2wb1 s ASP 48 Ca 0.00 0.92 -0.25 0.00 0.43 0.00 0.00 52.55 53.65 2wb1 s ASP 48 Cb 0.00 -2.23 -0.18 0.00 -0.30 0.00 0.00 42.92 40.22 2wb1 s ASP 48 CO 0.00 -0.12 1.28 0.00 -0.17 0.00 0.00 175.17 176.16 2wb1 h ALA 49 N 2.33 -0.23 0.00 3.66 0.00 -2.01 -3.09 119.26 119.93 2wb1 h ALA 49 Ca -0.47 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2wb1 h ALA 49 Cb 1.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2wb1 h ALA 49 CO 0.68 -0.44 -0.50 0.93 0.00 0.00 0.00 179.25 179.92 2wb1 h GLU 50 N -0.60 0.00 0.00 0.00 5.08 -1.96 -3.16 114.58 113.94 2wb1 h GLU 50 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wb1 h GLU 50 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2wb1 h GLU 50 CO 0.04 0.50 0.00 0.43 -1.00 0.00 0.00 179.01 178.98 2wb1 n SER 51 N -3.29 0.00 0.10 1.42 7.64 -1.24 -3.37 113.62 114.88 2wb1 n SER 51 Ca 0.01 -0.80 -0.04 0.00 1.01 0.00 0.00 58.87 59.05 2wb1 n SER 51 Cb 0.70 -0.06 0.10 0.00 -1.01 0.00 0.00 64.21 63.94 2wb1 n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wb1 h ALA 52 N 3.81 0.80 0.04 -0.43 0.00 -1.50 -2.16 119.26 119.81 2wb1 h ALA 52 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 2wb1 h ALA 52 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wb1 h ALA 52 CO 0.00 0.82 -1.00 1.96 0.00 0.00 0.00 179.25 181.03 2wb1 h GLN 53 N 0.08 0.18 0.00 0.00 4.20 -1.78 -3.28 115.11 114.51 2wb1 h GLN 53 Ca -0.01 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 2wb1 h GLN 53 Cb 1.23 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2wb1 h GLN 53 CO 0.10 1.03 -0.26 0.87 -0.67 0.00 0.00 178.83 179.90 2wb1 h LYS 54 N 0.08 0.00 0.07 1.46 1.57 -1.69 -3.33 116.57 114.73 2wb1 h LYS 54 Ca -0.06 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 2wb1 h LYS 54 Cb 1.68 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.01 2wb1 h LYS 54 CO 0.15 0.26 -0.78 -0.24 -0.57 0.00 0.00 179.45 178.27 2wb1 h VAL 55 N 0.00 1.44 0.00 0.50 3.04 -1.45 -3.33 116.25 116.44 2wb1 h VAL 55 Ca -0.00 -2.31 -0.05 0.00 -1.01 0.00 0.00 66.70 63.33 2wb1 h VAL 55 Cb 1.05 2.84 -0.01 0.00 -2.01 0.00 0.00 31.29 33.16 2wb1 h VAL 55 CO 0.03 0.67 -0.22 1.62 -1.01 0.00 0.00 177.57 178.66 2wb1 h VAL 56 N -0.14 0.76 -0.38 1.51 3.04 -1.67 -2.65 116.25 116.71 2wb1 h VAL 56 Ca -0.12 -0.92 -0.09 0.00 -1.01 0.00 0.00 66.70 64.56 2wb1 h VAL 56 Cb 1.53 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 32.37 2wb1 h VAL 56 CO 0.15 0.22 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.49 2wb1 h GLU 57 N 0.00 0.74 0.00 4.17 5.08 -1.67 -1.81 114.58 121.09 2wb1 h GLU 57 Ca -0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2wb1 h GLU 57 Cb 0.55 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2wb1 h GLU 57 CO 0.03 0.90 0.00 0.93 -1.00 0.00 0.00 179.01 179.87 2wb1 h GLU 58 N 0.54 0.00 0.03 2.33 5.08 -1.64 -3.21 114.58 117.71 2wb1 h GLU 58 Ca 0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 2wb1 h GLU 58 Cb 0.64 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 2wb1 h GLU 58 CO 0.04 0.00 -0.86 -0.07 -1.00 0.00 0.00 179.01 177.12 2wb1 h LEU 59 N 0.00 0.71 -8.17 1.33 3.38 -1.23 -3.40 115.31 107.92 2wb1 h LEU 59 Ca 0.00 -0.78 -0.36 0.00 0.09 0.00 0.00 57.88 56.83 2wb1 h LEU 59 Cb 0.78 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2wb1 h LEU 59 CO 0.00 1.40 0.93 -0.94 0.09 0.00 0.00 178.44 179.92 2wb1 s SER 60 N -7.05 5.40 0.00 -0.43 1.04 -0.70 -4.25 113.70 107.72 2wb1 s SER 60 Ca -0.12 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2wb1 s SER 60 Cb 0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2wb1 s SER 60 CO 0.87 -2.53 0.00 -1.54 0.98 0.00 0.00 173.24 171.02 2wb1 n SER 61 N 13.02 0.00 -4.99 7.02 3.41 -1.26 -4.97 113.62 125.85 2wb1 n SER 61 Ca 0.40 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.82 2wb1 n SER 61 Cb 0.48 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2wb1 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wb1 s ILE 62 N -1.34 2.72 -0.98 -1.33 1.01 -1.26 -4.98 121.20 115.04 2wb1 s ILE 62 Ca 0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 2wb1 s ILE 62 Cb 0.00 -2.79 -0.21 0.00 0.01 0.00 0.00 42.46 39.48 2wb1 s ILE 62 CO 0.00 0.00 2.15 0.00 0.00 0.00 0.00 174.94 177.09 2wb1 n ILE 63 N -1.89 0.00 -4.30 2.92 0.00 -1.26 -4.81 119.36 110.02 2wb1 n ILE 63 Ca 0.09 -0.14 -0.18 0.00 0.00 0.00 0.00 62.75 62.52 2wb1 n ILE 63 Cb 0.60 -1.91 -0.09 0.00 0.00 0.00 0.00 39.64 38.24 2wb1 n ILE 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2wb1 s SER 64 N 8.75 1.38 0.41 9.51 0.01 -1.26 -5.18 113.70 127.32 2wb1 s SER 64 Ca 0.82 -1.62 0.08 0.00 1.31 0.00 0.00 55.95 56.54 2wb1 s SER 64 Cb -0.08 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 2wb1 s SER 64 CO 0.16 -0.96 0.27 -0.13 0.41 0.00 0.00 173.24 173.00 2wb1 s ARG 65 N -3.72 2.38 0.33 12.44 0.52 -1.26 -5.04 118.95 124.60 2wb1 s ARG 65 Ca 0.38 -1.68 0.24 0.00 -0.52 0.00 0.00 55.73 54.16 2wb1 s ARG 65 Cb 0.04 -2.18 0.56 0.00 0.52 0.00 0.00 34.95 33.89 2wb1 s ARG 65 CO 0.21 -0.14 1.69 0.93 0.02 0.00 0.00 175.30 178.00 2wb1 h GLU 66 N 1.24 0.00 0.24 3.54 5.08 -2.01 -3.28 114.58 119.39 2wb1 h GLU 66 Ca -0.42 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.61 2wb1 h GLU 66 Cb 1.26 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.54 2wb1 h GLU 66 CO 0.64 0.00 -1.45 0.38 -1.00 0.00 0.00 179.01 177.57 2wb1 h ASP 67 N 0.00 0.79 0.22 1.42 -0.00 -1.99 -3.36 116.42 113.51 2wb1 h ASP 67 Ca 0.00 -0.85 -0.29 0.00 -0.00 0.00 0.00 57.03 55.89 2wb1 h ASP 67 Cb 0.88 -0.26 0.03 0.00 -0.00 0.00 0.00 39.33 39.98 2wb1 h ASP 67 CO 0.00 1.67 -1.30 1.62 -0.00 0.00 0.00 179.24 181.23 2wb1 h VAL 68 N 0.14 1.33 0.00 4.15 3.04 -1.97 -3.24 116.25 119.69 2wb1 h VAL 68 Ca -0.24 -2.63 0.00 0.00 -1.01 0.00 0.00 66.70 62.81 2wb1 h VAL 68 Cb 2.15 3.07 0.00 0.00 -2.01 0.00 0.00 31.29 34.50 2wb1 h VAL 68 CO 0.27 0.78 0.00 0.54 -1.01 0.00 0.00 177.57 178.15 2wb1 n ARG 69 N -3.84 0.17 -0.04 4.17 1.74 -1.24 -2.42 116.66 115.21 2wb1 n ARG 69 Ca -0.17 0.51 -0.14 0.00 -0.77 0.00 0.00 57.85 57.28 2wb1 n ARG 69 Cb 1.02 -1.90 -0.14 0.00 -1.02 0.00 0.00 32.46 30.41 2wb1 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wb1 n ALA 70 N -1.77 1.31 0.16 7.54 0.00 -1.24 -3.67 120.51 122.83 2wb1 n ALA 70 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 53.44 52.62 2wb1 n ALA 70 Cb 0.15 -0.59 0.14 0.00 0.00 0.00 0.00 19.45 19.16 2wb1 n ALA 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wb1 h VAL 71 N 0.02 0.89 -0.00 0.00 3.04 -1.51 -3.04 116.25 115.65 2wb1 h VAL 71 Ca -0.41 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 63.28 2wb1 h VAL 71 Cb 2.05 2.25 0.00 0.00 -2.01 0.00 0.00 31.29 33.58 2wb1 h VAL 71 CO 0.05 0.46 -0.21 0.18 -1.01 0.00 0.00 177.57 177.04 2wb1 n LEU 72 N -3.34 0.65 0.19 3.16 4.32 -1.01 -3.61 117.00 117.37 2wb1 n LEU 72 Ca 0.01 -0.06 0.07 0.00 -0.02 0.00 0.00 56.01 56.00 2wb1 n LEU 72 Cb 0.66 -0.19 0.34 0.00 -1.62 0.00 0.00 43.42 42.61 2wb1 n LEU 72 CO 0.39 0.13 0.70 0.00 -1.22 0.00 0.00 177.39 177.38 2wb1 h ALA 73 N 3.52 0.97 0.00 -1.18 0.00 -1.60 -3.21 119.26 117.76 2wb1 h ALA 73 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wb1 h ALA 73 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wb1 h ALA 73 CO 0.00 0.43 -0.75 -1.13 0.00 0.00 0.00 179.25 177.79 2wb1 n SER 74 N -3.46 3.76 -0.05 0.00 3.41 -1.26 -4.69 113.62 111.33 2wb1 n SER 74 Ca 0.00 -0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 2wb1 n SER 74 Cb 0.51 0.97 -0.12 0.00 -0.26 0.00 0.00 64.21 65.31 2wb1 n SER 74 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2wb1 h ILE 75 N 0.00 1.63 -4.55 -1.33 2.04 -1.70 -3.36 117.51 110.24 2wb1 h ILE 75 Ca 0.00 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.01 2wb1 h ILE 75 Cb 0.00 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2wb1 h ILE 75 CO 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 178.15 178.48 2wb1 s PRO 77 N -2.57 4.73 -0.23 0.00 0.04 -1.26 -5.00 135.00 130.71 2wb1 s PRO 77 Ca 0.08 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 2wb1 s PRO 77 Cb -0.02 -3.31 -0.16 0.00 0.04 0.00 0.00 34.50 31.05 2wb1 s PRO 77 CO 0.50 0.30 -0.03 -0.89 0.04 0.00 0.00 177.00 176.93 2wb1 n ILE 78 N 2.12 1.53 -2.91 0.56 5.41 -1.26 -4.82 119.36 119.99 2wb1 n ILE 78 Ca 0.01 -0.15 -0.34 0.00 1.00 0.00 0.00 62.75 63.26 2wb1 n ILE 78 Cb 0.47 -2.00 -0.07 0.00 -0.71 0.00 0.00 39.64 37.34 2wb1 n ILE 78 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2wb1 s THR 79 N -2.43 4.42 0.58 1.39 2.01 -1.26 -4.96 115.64 115.39 2wb1 s THR 79 Ca -0.32 1.45 0.29 0.00 0.31 0.00 0.00 61.69 63.42 2wb1 s THR 79 Cb 0.09 -3.75 0.40 0.00 0.01 0.00 0.00 72.50 69.25 2wb1 s THR 79 CO 0.54 -0.09 1.88 1.55 -0.69 0.00 0.00 174.62 177.81 2wb1 h PRO 80 N 2.54 0.00 -0.13 4.92 0.13 -2.00 -1.60 132.00 135.87 2wb1 h PRO 80 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2wb1 h PRO 80 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wb1 h PRO 80 CO 0.64 0.00 -0.55 -0.44 -0.23 0.00 0.00 178.00 177.41 2wb1 h ASP 81 N 0.00 0.71 0.56 1.44 5.19 -2.00 -3.20 116.42 119.12 2wb1 h ASP 81 Ca 0.26 -0.63 -0.02 0.00 -0.62 0.00 0.00 57.03 56.02 2wb1 h ASP 81 Cb 1.31 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 2wb1 h ASP 81 CO -0.00 1.22 -0.09 -0.08 -3.12 0.00 0.00 179.24 177.17 2wb1 h GLU 82 N 0.24 0.00 0.00 3.56 4.57 -1.68 -2.33 114.58 118.94 2wb1 h GLU 82 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wb1 h GLU 82 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2wb1 h GLU 82 CO 0.12 0.09 -0.52 -0.24 -1.18 0.00 0.00 179.01 177.27 2wb1 h VAL 83 N 0.00 0.00 0.00 0.32 3.04 -1.53 -3.22 116.25 114.86 2wb1 h VAL 83 Ca -0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2wb1 h VAL 83 Cb 0.39 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2wb1 h VAL 83 CO 0.01 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.11 2wb1 n ARG 84 N -2.27 0.25 0.00 4.17 1.74 -0.87 -3.35 116.66 116.33 2wb1 n ARG 84 Ca 0.03 0.12 0.04 0.00 -0.77 0.00 0.00 57.85 57.28 2wb1 n ARG 84 Cb 0.46 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.63 2wb1 n ARG 84 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wb1 n SER 85 N -1.27 0.00 -3.28 0.55 3.41 -1.22 -3.55 113.62 108.27 2wb1 n SER 85 Ca 0.08 -1.15 -0.26 0.00 -0.26 0.00 0.00 58.87 57.28 2wb1 n SER 85 Cb 0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 2wb1 n SER 85 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2wb1 n ILE 86 N -0.67 1.66 0.72 -1.33 -0.00 -1.21 -4.75 119.36 113.77 2wb1 n ILE 86 Ca 0.06 -4.98 0.09 0.00 -0.00 0.00 0.00 62.75 57.92 2wb1 n ILE 86 Cb 0.03 -1.85 0.08 0.00 -0.00 0.00 0.00 39.64 37.90 2wb1 n ILE 86 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2wb1 n LEU 87 N 0.76 2.57 0.05 1.39 4.32 -1.23 -4.38 117.00 120.48 2wb1 n LEU 87 Ca 0.28 -1.04 -0.18 0.00 -0.02 0.00 0.00 56.01 55.05 2wb1 n LEU 87 Cb 0.45 -0.02 -0.14 0.00 -1.62 0.00 0.00 43.42 42.09 2wb1 n LEU 87 CO 0.34 0.46 -0.43 0.16 -1.22 0.00 0.00 177.39 176.70 2wb1 h ILE 88 N 3.58 1.04 -0.00 -0.08 -2.65 -1.91 -1.82 117.51 115.67 2wb1 h ILE 88 Ca 0.00 -2.69 0.00 0.00 1.03 0.00 0.00 64.86 63.20 2wb1 h ILE 88 Cb 0.77 2.72 0.00 0.00 -2.05 0.00 0.00 36.82 38.25 2wb1 h ILE 88 CO 0.00 0.81 0.00 0.23 0.03 0.00 0.00 178.15 179.22 2wb1 n MET 89 N -3.46 1.04 -0.00 0.16 2.81 -1.26 -3.03 117.12 113.37 2wb1 n MET 89 Ca -0.19 -0.05 0.05 0.00 -1.81 0.00 0.00 57.70 55.70 2wb1 n MET 89 Cb 1.05 -1.39 -0.08 0.00 -0.71 0.00 0.00 33.22 32.09 2wb1 n MET 89 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2wb1 n ASP 90 N -0.83 2.12 0.28 7.83 9.92 -1.19 -4.41 116.55 130.28 2wb1 n ASP 90 Ca 0.19 -0.14 0.19 0.00 -0.53 0.00 0.00 54.79 54.50 2wb1 n ASP 90 Cb 0.10 1.41 1.03 0.00 -0.64 0.00 0.00 41.12 43.01 2wb1 n ASP 90 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2wb1 h SER 91 N 0.00 0.00 -4.34 -2.24 0.87 -1.24 -3.42 113.55 103.18 2wb1 h SER 91 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2wb1 h SER 91 Cb 0.45 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.49 2wb1 h SER 91 CO 0.00 0.00 0.40 0.20 -0.53 0.00 0.00 176.83 176.90 2wb1 s ASN 92 N -4.80 5.89 0.00 6.23 0.01 -1.26 -5.12 114.94 115.89 2wb1 s ASN 92 Ca -0.04 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.62 2wb1 s ASN 92 Cb 0.11 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.29 2wb1 s ASN 92 CO 0.34 -1.10 0.00 -1.14 -1.51 0.00 0.00 177.10 173.70