#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpn s LYS 3 N 0.00 4.52 0.14 5.31 2.20 -1.26 -4.49 119.74 126.16 1wpn s LYS 3 Ca 0.00 1.90 0.08 0.00 -0.36 0.00 0.00 55.97 57.59 1wpn s LYS 3 Cb 0.00 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1wpn s LYS 3 CO 0.00 0.00 -0.20 0.96 -0.36 0.00 0.00 175.35 175.76 1wpn s ILE 4 N -0.58 1.79 -0.02 5.43 -4.36 -0.36 -4.62 121.20 118.48 1wpn s ILE 4 Ca 0.49 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1wpn s ILE 4 Cb -0.33 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 1wpn s ILE 4 CO 0.40 -0.20 0.08 -0.76 0.24 0.00 0.00 174.94 174.71 1wpn s LEU 5 N -2.33 3.93 -0.11 0.37 1.43 -1.20 -1.42 118.68 119.36 1wpn s LEU 5 Ca 0.12 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1wpn s LEU 5 Cb -0.08 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1wpn s LEU 5 CO 0.06 0.29 -0.22 -0.63 0.23 0.00 0.00 176.35 176.08 1wpn s ILE 6 N -1.17 1.92 0.07 -0.59 1.01 -0.52 -0.82 121.20 121.10 1wpn s ILE 6 Ca 0.22 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1wpn s ILE 6 Cb -0.12 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.70 1wpn s ILE 6 CO 0.13 0.53 0.38 0.72 0.00 0.00 0.00 174.94 176.70 1wpn s PHE 7 N 0.54 -0.20 0.00 3.97 -0.12 -0.67 -0.85 117.98 120.64 1wpn s PHE 7 Ca -0.15 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1wpn s PHE 7 Cb -0.17 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1wpn s PHE 7 CO 0.05 -0.60 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 1wpn n GLY 8 N 0.26 1.50 3.90 1.99 0.00 -1.25 -1.36 105.19 110.23 1wpn n GLY 8 Ca -0.18 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1wpn n GLY 8 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wpn s HIS 9 N 1.82 3.24 0.91 1.61 -3.43 -1.26 -4.72 115.29 113.46 1wpn s HIS 9 Ca 0.00 0.89 -0.11 0.00 -0.80 0.00 0.00 55.06 55.03 1wpn s HIS 9 Cb 0.00 -3.05 0.10 0.00 -1.43 0.00 0.00 32.58 28.20 1wpn s HIS 9 CO 0.00 -1.18 0.89 1.04 -2.00 0.00 0.00 174.74 173.49 1wpn n GLN 10 N -2.94 -0.31 -3.64 -0.38 6.02 0.37 -3.62 117.38 112.89 1wpn n GLN 10 Ca 0.07 -0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.73 1wpn n GLN 10 Cb 0.58 -2.20 0.05 0.00 1.02 0.00 0.00 30.24 29.69 1wpn n GLN 10 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wpn n ASN 11 N -3.05 -5.39 -4.77 1.08 3.02 -1.26 -4.82 115.26 100.07 1wpn n ASN 11 Ca 0.10 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 1wpn n ASN 11 Cb 0.52 -3.57 0.01 0.00 -0.61 0.00 0.00 39.78 36.13 1wpn n ASN 11 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wpn s PRO 12 N -5.82 3.76 0.51 3.52 0.04 -1.24 -5.03 135.00 130.75 1wpn s PRO 12 Ca 0.47 2.39 0.06 0.00 0.04 0.00 0.00 61.00 63.96 1wpn s PRO 12 Cb -0.16 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1wpn s PRO 12 CO 0.85 -0.75 0.39 0.16 0.04 0.00 0.00 177.00 177.69 1wpn s ASP 13 N -0.51 4.69 0.24 6.66 3.84 -1.26 -4.59 116.67 125.74 1wpn s ASP 13 Ca 0.60 -1.14 -0.06 0.00 -0.00 0.00 0.00 52.55 51.95 1wpn s ASP 13 Cb -0.43 0.18 0.33 0.00 -1.38 0.00 0.00 42.92 41.62 1wpn s ASP 13 CO 0.56 -0.99 1.84 0.74 -0.00 0.00 0.00 175.17 177.32 1wpn h THR 14 N 0.84 1.02 -0.58 2.11 2.02 -1.94 -1.49 112.91 114.89 1wpn h THR 14 Ca -0.38 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1wpn h THR 14 Cb 1.29 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1wpn h THR 14 CO 0.58 0.17 0.37 -0.78 0.37 0.00 0.00 175.52 176.22 1wpn h ASP 15 N 0.93 0.69 -0.12 4.18 -0.00 -1.89 0.12 116.42 120.33 1wpn h ASP 15 Ca 0.37 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.03 57.30 1wpn h ASP 15 Cb 0.19 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.34 1wpn h ASP 15 CO -0.18 0.52 -0.09 0.74 -0.00 0.00 0.00 179.24 180.23 1wpn h THR 16 N 0.79 1.21 0.01 2.25 2.02 -1.72 0.87 112.91 118.34 1wpn h THR 16 Ca 0.21 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1wpn h THR 16 Cb -0.05 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1wpn h THR 16 CO -0.04 0.30 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 1wpn h ILE 17 N 0.41 1.74 -0.23 3.11 1.08 -1.03 -3.21 117.51 119.39 1wpn h ILE 17 Ca 0.08 -2.29 -0.14 0.00 -0.39 0.00 0.00 64.86 62.12 1wpn h ILE 17 Cb 0.42 3.29 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 1wpn h ILE 17 CO 0.02 0.60 -0.45 0.00 -0.69 0.00 0.00 178.15 177.64 1wpn h SER 19 N 0.46 0.00 -0.27 0.00 0.02 -0.99 0.50 113.55 113.27 1wpn h SER 19 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1wpn h SER 19 Cb 0.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1wpn h SER 19 CO 0.09 0.48 0.03 0.00 -1.14 0.00 0.00 176.83 176.28 1wpn h ALA 20 N 1.52 0.35 -0.26 3.77 0.00 -1.49 0.09 119.26 123.24 1wpn h ALA 20 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1wpn h ALA 20 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wpn h ALA 20 CO 0.06 0.06 0.10 0.82 0.00 0.00 0.00 179.25 180.30 1wpn h ILE 21 N 0.25 1.18 -0.26 0.00 2.04 -1.16 -1.41 117.51 118.15 1wpn h ILE 21 Ca 0.08 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1wpn h ILE 21 Cb 0.37 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1wpn h ILE 21 CO 0.01 0.18 0.08 0.00 0.00 0.00 0.00 178.15 178.42 1wpn h ALA 22 N 0.95 0.34 -0.39 1.87 0.00 -0.84 -1.15 119.26 120.04 1wpn h ALA 22 Ca 0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1wpn h ALA 22 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wpn h ALA 22 CO -0.01 -0.02 -0.12 -0.92 0.00 0.00 0.00 179.25 178.19 1wpn h TYR 23 N 0.26 0.76 -0.94 0.00 3.20 -0.92 -1.09 116.97 118.24 1wpn h TYR 23 Ca 0.08 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1wpn h TYR 23 Cb 0.25 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1wpn h TYR 23 CO 0.01 0.78 0.60 0.00 -1.64 0.00 0.00 178.16 177.91 1wpn h ALA 24 N 1.24 1.29 -0.19 1.82 0.00 -1.10 -0.25 119.26 122.07 1wpn h ALA 24 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wpn h ALA 24 Cb 0.57 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wpn h ALA 24 CO 0.04 0.64 0.12 0.22 0.00 0.00 0.00 179.25 180.26 1wpn h ASP 25 N 1.28 0.23 -0.23 0.00 3.58 -0.59 0.45 116.42 121.14 1wpn h ASP 25 Ca 0.34 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.76 1wpn h ASP 25 Cb -0.12 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1wpn h ASP 25 CO -0.07 0.20 0.13 0.25 -2.88 0.00 0.00 179.24 176.87 1wpn h LEU 26 N 0.24 0.21 -0.76 2.28 5.85 -0.77 0.81 115.31 123.17 1wpn h LEU 26 Ca 0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1wpn h LEU 26 Cb 0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1wpn h LEU 26 CO -0.01 0.16 0.37 0.11 -0.34 0.00 0.00 178.44 178.72 1wpn h LYS 27 N 0.27 1.10 -0.23 1.25 1.79 -0.85 -2.28 116.57 117.62 1wpn h LYS 27 Ca 0.09 -0.16 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 1wpn h LYS 27 Cb -0.00 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1wpn h LYS 27 CO -0.04 0.86 -0.46 -0.91 -1.08 0.00 0.00 179.45 177.82 1wpn h ASN 28 N 1.07 0.64 -0.38 0.86 2.35 -0.58 -0.68 115.58 118.86 1wpn h ASN 28 Ca 0.26 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wpn h ASN 28 Cb 0.12 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1wpn h ASN 28 CO -0.03 1.00 0.23 0.11 -1.65 0.00 0.00 177.43 177.09 1wpn h LYS 29 N 0.47 0.54 -0.13 0.81 1.79 -0.66 -1.37 116.57 118.03 1wpn h LYS 29 Ca 0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1wpn h LYS 29 Cb 0.98 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1wpn h LYS 29 CO 0.09 0.39 0.00 1.28 -1.08 0.00 0.00 179.45 180.13 1wpn n LEU 30 N -4.45 0.90 0.00 2.94 4.77 -0.87 -4.90 117.00 115.39 1wpn n LEU 30 Ca 0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1wpn n LEU 30 Cb 0.08 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wpn n LEU 30 CO 0.36 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1wpn n GLY 31 N 0.88 0.85 0.00 -0.72 0.00 -0.52 -5.07 105.19 100.62 1wpn n GLY 31 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wpn n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpn n PHE 32 N -2.15 -2.45 -3.51 1.61 3.01 -0.30 -5.00 117.46 108.67 1wpn n PHE 32 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 1wpn n PHE 32 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 1wpn n PHE 32 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1wpn s ASN 33 N -1.00 2.66 -0.00 4.37 2.47 -1.26 -4.49 114.94 117.68 1wpn s ASN 33 Ca 0.00 -2.66 0.07 0.00 0.42 0.00 0.00 52.86 50.69 1wpn s ASN 33 Cb 0.00 -0.59 -0.02 0.00 -1.45 0.00 0.00 41.25 39.19 1wpn s ASN 33 CO 0.00 -0.24 -0.22 0.00 -3.72 0.00 0.00 177.10 172.92 1wpn s ALA 34 N 0.46 1.83 -0.11 1.71 0.00 -1.26 -1.22 121.76 123.16 1wpn s ALA 34 Ca 0.23 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1wpn s ALA 34 Cb -0.13 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1wpn s ALA 34 CO -0.07 0.44 -0.21 -2.00 0.00 0.00 0.00 175.76 173.92 1wpn s GLU 35 N -0.65 2.77 0.11 0.00 2.12 -0.51 -4.90 118.70 117.63 1wpn s GLU 35 Ca 0.08 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 1wpn s GLU 35 Cb -0.09 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.06 1wpn s GLU 35 CO -0.00 0.06 0.98 -1.25 -0.54 0.00 0.00 175.26 174.51 1wpn s PRO 36 N 0.62 4.68 0.35 4.30 0.04 -1.26 -1.43 135.00 142.29 1wpn s PRO 36 Ca -0.13 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1wpn s PRO 36 Cb -0.16 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1wpn s PRO 36 CO 0.03 0.18 0.13 0.14 0.04 0.00 0.00 177.00 177.52 1wpn s VAL 37 N 0.06 0.59 0.09 -0.36 -7.23 -0.03 -3.94 120.40 109.58 1wpn s VAL 37 Ca 0.48 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1wpn s VAL 37 Cb -0.24 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1wpn s VAL 37 CO 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.03 1wpn s ARG 38 N -3.79 0.79 0.00 4.82 1.70 -0.31 -4.40 118.95 117.76 1wpn s ARG 38 Ca 0.31 -1.30 0.14 0.00 -0.47 0.00 0.00 55.73 54.41 1wpn s ARG 38 Cb 0.05 -0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.22 1wpn s ARG 38 CO 0.16 -0.03 0.72 1.28 -1.08 0.00 0.00 175.30 176.35 1wpn n LEU 39 N 0.04 1.24 0.00 -1.89 4.77 -1.26 -1.27 117.00 118.63 1wpn n LEU 39 Ca -0.13 -0.69 -0.03 0.00 -0.03 0.00 0.00 56.01 55.14 1wpn n LEU 39 Cb 0.61 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1wpn n LEU 39 CO 0.29 0.25 0.34 0.61 -1.33 0.00 0.00 177.39 177.56 1wpn n GLY 40 N 1.13 1.19 3.77 -0.72 0.00 -1.26 -4.70 105.19 104.60 1wpn n GLY 40 Ca 0.05 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1wpn n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wpn s GLN 41 N -2.03 4.32 0.02 1.61 0.74 -1.26 -4.76 119.66 118.30 1wpn s GLN 41 Ca 0.10 2.26 -0.30 0.00 0.05 0.00 0.00 55.36 57.47 1wpn s GLN 41 Cb -0.02 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.98 1wpn s GLN 41 CO 0.04 -0.24 1.21 0.08 -0.55 0.00 0.00 175.29 175.82 1wpn s VAL 42 N -1.05 4.09 0.88 1.34 1.01 -1.26 -4.42 120.40 120.99 1wpn s VAL 42 Ca 0.50 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.83 1wpn s VAL 42 Cb -0.41 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.17 1wpn s VAL 42 CO 0.53 0.07 1.24 0.54 0.00 0.00 0.00 175.10 177.49 1wpn s ASN 43 N 1.24 3.76 0.34 3.32 2.20 -1.26 -4.82 114.94 119.71 1wpn s ASN 43 Ca 0.58 0.43 0.13 0.00 -0.94 0.00 0.00 52.86 53.05 1wpn s ASN 43 Cb -0.28 -0.68 0.59 0.00 -2.00 0.00 0.00 41.25 38.88 1wpn s ASN 43 CO 0.27 -2.33 1.74 1.23 -2.94 0.00 0.00 177.10 175.07 1wpn h GLY 44 N -1.32 0.00 0.80 0.45 0.00 -1.95 -0.21 103.07 100.84 1wpn h GLY 44 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1wpn h GLY 44 CO 0.49 0.00 -0.01 -2.09 0.00 0.00 0.00 176.54 174.93 1wpn h GLU 45 N 0.00 -0.04 -0.51 4.80 4.81 -1.78 -1.70 114.58 120.15 1wpn h GLU 45 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1wpn h GLU 45 Cb 0.84 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1wpn h GLU 45 CO 0.06 0.17 0.04 1.15 -0.73 0.00 0.00 179.01 179.70 1wpn h THR 46 N -0.24 1.24 -0.39 0.32 2.02 -1.83 -2.41 112.91 111.63 1wpn h THR 46 Ca -0.00 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 1wpn h THR 46 Cb 0.22 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1wpn h THR 46 CO 0.01 0.35 0.03 -0.61 0.37 0.00 0.00 175.52 175.66 1wpn h GLN 47 N 0.79 0.60 -0.59 6.66 5.75 -0.93 -0.40 115.11 126.99 1wpn h GLN 47 Ca 0.16 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1wpn h GLN 47 Cb 0.42 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1wpn h GLN 47 CO 0.01 0.60 0.36 -0.92 -2.65 0.00 0.00 178.83 176.24 1wpn h TYR 48 N 0.57 0.76 -0.18 3.99 3.20 -0.82 0.06 116.97 124.55 1wpn h TYR 48 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1wpn h TYR 48 Cb 0.32 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1wpn h TYR 48 CO 0.01 0.51 0.10 0.00 -1.64 0.00 0.00 178.16 177.14 1wpn h ALA 49 N 1.19 0.23 -0.51 1.82 0.00 -1.00 0.99 119.26 121.98 1wpn h ALA 49 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1wpn h ALA 49 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1wpn h ALA 49 CO -0.04 -0.23 0.30 -0.07 0.00 0.00 0.00 179.25 179.21 1wpn h LEU 50 N 0.18 0.49 -0.42 0.00 3.38 -0.94 -1.27 115.31 116.73 1wpn h LEU 50 Ca 0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1wpn h LEU 50 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wpn h LEU 50 CO -0.01 0.35 -0.07 0.44 0.09 0.00 0.00 178.44 179.24 1wpn h ASP 51 N 0.60 0.78 -0.61 -0.43 3.45 -0.81 0.84 116.42 120.25 1wpn h ASP 51 Ca 0.21 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 1wpn h ASP 51 Cb 0.02 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.55 1wpn h ASP 51 CO -0.09 0.94 0.36 0.22 -1.57 0.00 0.00 179.24 179.10 1wpn h TYR 52 N 0.61 0.82 -0.61 4.55 5.03 -0.53 -2.55 116.97 124.28 1wpn h TYR 52 Ca 0.11 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1wpn h TYR 52 Cb 0.58 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.60 1wpn h TYR 52 CO 0.05 0.56 0.00 1.19 -1.32 0.00 0.00 178.16 178.64 1wpn n PHE 53 N -4.60 1.22 -3.58 -3.82 3.01 -0.50 -4.95 117.46 104.24 1wpn n PHE 53 Ca 0.04 -0.51 -0.22 0.00 1.01 0.00 0.00 57.45 57.77 1wpn n PHE 53 Cb 0.06 -0.17 0.08 0.00 -0.01 0.00 0.00 39.48 39.44 1wpn n PHE 53 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wpn n LYS 54 N 1.12 -7.25 -4.84 -1.08 5.02 -0.12 -4.84 118.16 106.17 1wpn n LYS 54 Ca 0.23 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 57.00 1wpn n LYS 54 Cb 0.74 -5.82 -0.13 0.00 -0.02 0.00 0.00 35.03 29.80 1wpn n LYS 54 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wpn s GLN 55 N -6.03 2.61 0.46 1.97 -1.52 0.10 -5.04 119.66 112.20 1wpn s GLN 55 Ca 0.39 -0.67 -0.22 0.00 -1.95 0.00 0.00 55.36 52.91 1wpn s GLN 55 Cb -0.17 -2.43 -0.08 0.00 -0.22 0.00 0.00 33.01 30.11 1wpn s GLN 55 CO 0.74 0.60 1.10 -1.21 -0.25 0.00 0.00 175.29 176.27 1wpn s GLU 56 N -0.67 3.83 0.14 2.91 0.41 -1.26 -4.53 118.70 119.53 1wpn s GLU 56 Ca 0.10 1.58 -0.30 0.00 -0.41 0.00 0.00 54.97 55.94 1wpn s GLU 56 Cb -0.11 -2.32 -0.07 0.00 -1.78 0.00 0.00 34.13 29.84 1wpn s GLU 56 CO 0.01 -0.44 1.25 0.45 -0.49 0.00 0.00 175.26 176.03 1wpn s SER 57 N -1.61 7.01 0.52 -0.19 0.15 -1.26 -4.97 113.70 113.36 1wpn s SER 57 Ca 0.64 2.20 -0.20 0.00 0.70 0.00 0.00 55.95 59.29 1wpn s SER 57 Cb -0.23 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.40 1wpn s SER 57 CO 0.28 -0.47 0.83 -2.65 1.20 0.00 0.00 173.24 172.44 1wpn n PRO 58 N 3.21 0.92 -1.75 5.44 -0.02 -1.26 -4.90 135.00 136.64 1wpn n PRO 58 Ca 0.07 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1wpn n PRO 58 Cb 0.45 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1wpn n PRO 58 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1wpn n ARG 59 N -0.27 2.61 -2.83 -0.52 0.63 -1.25 -4.53 116.66 110.49 1wpn n ARG 59 Ca 0.12 0.92 -0.41 0.00 -0.92 0.00 0.00 57.85 57.55 1wpn n ARG 59 Cb 0.44 -2.65 -0.04 0.00 0.45 0.00 0.00 32.46 30.66 1wpn n ARG 59 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1wpn s LEU 60 N -1.21 4.36 0.12 6.15 2.96 -1.26 -1.17 118.68 128.62 1wpn s LEU 60 Ca 0.58 1.51 0.07 0.00 -0.22 0.00 0.00 54.13 56.07 1wpn s LEU 60 Cb -0.50 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 1wpn s LEU 60 CO 0.57 -0.20 -0.17 0.68 -1.32 0.00 0.00 176.35 175.91 1wpn s VAL 61 N 0.87 1.54 -0.14 1.68 -7.23 -0.40 -4.92 120.40 111.80 1wpn s VAL 61 Ca 0.47 -1.63 0.17 0.00 -1.81 0.00 0.00 61.98 59.17 1wpn s VAL 61 Cb -0.20 -1.53 -0.24 0.00 0.56 0.00 0.00 36.38 34.97 1wpn s VAL 61 CO 0.25 -0.24 0.15 -0.62 -0.31 0.00 0.00 175.10 174.33 1wpn n GLU 62 N 0.80 0.98 -4.08 4.82 1.02 -1.26 -4.48 120.64 118.43 1wpn n GLU 62 Ca -0.17 -0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 56.85 1wpn n GLU 62 Cb 0.55 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 1wpn n GLU 62 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wpn s THR 63 N -2.65 0.21 -0.08 2.62 -4.23 -1.26 -3.88 115.64 106.38 1wpn s THR 63 Ca -0.08 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1wpn s THR 63 Cb 0.07 -1.41 -0.09 0.00 1.34 0.00 0.00 72.50 72.41 1wpn s THR 63 CO 0.74 -0.95 0.02 0.00 -0.54 0.00 0.00 174.62 173.89 1wpn n ALA 64 N 0.24 1.81 0.23 3.99 0.00 -1.26 -4.77 120.51 120.75 1wpn n ALA 64 Ca -0.15 -0.50 0.09 0.00 0.00 0.00 0.00 53.44 52.88 1wpn n ALA 64 Cb 0.60 0.10 0.56 0.00 0.00 0.00 0.00 19.45 20.72 1wpn n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpn h ALA 65 N 0.34 1.27 0.00 0.00 0.00 -1.86 0.28 119.26 119.29 1wpn h ALA 65 Ca -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wpn h ALA 65 Cb 1.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1wpn h ALA 65 CO 0.01 0.27 0.00 0.27 0.00 0.00 0.00 179.25 179.79 1wpn n ASN 66 N -3.73 0.29 -0.05 0.00 2.04 -1.26 -4.06 115.26 108.50 1wpn n ASN 66 Ca -0.01 0.57 -0.08 0.00 -0.44 0.00 0.00 54.58 54.62 1wpn n ASN 66 Cb 0.32 -0.63 -0.04 0.00 -2.53 0.00 0.00 39.78 36.90 1wpn n ASN 66 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1wpn n GLU 67 N -1.82 0.21 -4.11 -3.83 1.02 -0.03 -5.11 120.64 106.97 1wpn n GLU 67 Ca 0.03 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1wpn n GLU 67 Cb 0.20 -0.99 -0.09 0.00 -0.02 0.00 0.00 31.44 30.54 1wpn n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wpn s VAL 68 N -2.17 0.05 -0.09 2.62 -7.23 -0.51 -5.06 120.40 108.01 1wpn s VAL 68 Ca -0.12 -1.76 0.13 0.00 -1.81 0.00 0.00 61.98 58.41 1wpn s VAL 68 Cb 0.04 -2.16 -0.24 0.00 0.56 0.00 0.00 36.38 34.58 1wpn s VAL 68 CO 0.18 -0.23 0.47 0.59 -0.31 0.00 0.00 175.10 175.81 1wpn n ASN 69 N -0.21 0.69 -4.14 4.85 3.02 -1.26 -4.32 115.26 113.89 1wpn n ASN 69 Ca -0.03 0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 54.62 1wpn n ASN 69 Cb 0.64 0.20 -0.13 0.00 -0.61 0.00 0.00 39.78 39.89 1wpn n ASN 69 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1wpn s GLY 70 N -5.25 0.78 0.18 7.41 0.00 -1.26 -1.10 107.32 108.07 1wpn s GLY 70 Ca -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.80 1wpn s GLY 70 CO 0.82 -0.89 -0.03 -1.34 0.00 0.00 0.00 173.10 171.66 1wpn s VAL 71 N -1.07 0.94 -0.07 1.40 -7.23 -0.43 -3.24 120.40 110.70 1wpn s VAL 71 Ca -0.01 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1wpn s VAL 71 Cb -0.09 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 1wpn s VAL 71 CO 0.02 -0.53 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.45 1wpn s ILE 72 N -3.48 1.66 -0.15 -0.62 1.01 -0.00 -0.70 121.20 118.91 1wpn s ILE 72 Ca 0.22 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 1wpn s ILE 72 Cb 0.05 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1wpn s ILE 72 CO 0.04 0.47 0.21 -0.76 0.00 0.00 0.00 174.94 174.90 1wpn s LEU 73 N 0.20 4.28 0.03 2.97 1.43 -0.46 -1.67 118.68 125.46 1wpn s LEU 73 Ca -0.10 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.50 1wpn s LEU 73 Cb -0.14 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1wpn s LEU 73 CO 0.05 0.21 -0.16 0.68 0.23 0.00 0.00 176.35 177.35 1wpn s VAL 74 N 0.01 2.93 -0.50 -1.59 -7.23 -0.46 -1.14 120.40 112.42 1wpn s VAL 74 Ca 0.14 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 1wpn s VAL 74 Cb -0.12 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1wpn s VAL 74 CO 0.03 0.35 0.00 -0.67 -0.31 0.00 0.00 175.10 174.49 1wpn n ASP 75 N 1.55 -5.04 -3.66 4.85 4.64 0.26 -3.98 116.55 115.18 1wpn n ASP 75 Ca -0.16 0.12 -0.06 0.00 -1.38 0.00 0.00 54.79 53.31 1wpn n ASP 75 Cb 0.52 -2.95 -0.02 0.00 -1.04 0.00 0.00 41.12 37.63 1wpn n ASP 75 CO 0.00 0.00 0.00 -1.38 -0.82 0.00 0.00 177.20 175.00 1wpn s HIS 76 N -1.69 -0.23 0.00 -0.67 -3.43 -1.26 -4.75 115.29 103.26 1wpn s HIS 76 Ca 0.00 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.24 1wpn s HIS 76 Cb 0.00 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.75 1wpn s HIS 76 CO 0.00 -0.75 0.00 0.27 -2.00 0.00 0.00 174.74 172.26 1wpn n ASN 77 N -0.39 0.00 -4.75 7.38 0.23 -1.26 -4.83 115.26 111.64 1wpn n ASN 77 Ca -0.07 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.56 1wpn n ASN 77 Cb 0.61 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.29 1wpn n ASN 77 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1wpn s GLU 78 N -1.00 4.22 0.34 -3.83 2.02 -1.25 -4.67 118.70 114.53 1wpn s GLU 78 Ca 0.00 2.39 0.02 0.00 0.02 0.00 0.00 54.97 57.40 1wpn s GLU 78 Cb 0.00 -3.07 0.62 0.00 0.10 0.00 0.00 34.13 31.78 1wpn s GLU 78 CO 0.00 -0.48 1.99 0.00 0.02 0.00 0.00 175.26 176.79 1wpn h ARG 79 N 4.79 0.86 0.00 1.61 3.08 -1.31 -1.12 114.38 122.29 1wpn h ARG 79 Ca -0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1wpn h ARG 79 Cb 1.22 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1wpn h ARG 79 CO 0.77 0.57 0.00 -0.56 -1.07 0.00 0.00 179.97 179.68 1wpn h GLN 80 N 0.89 0.00 0.00 0.04 -0.00 -1.90 -1.36 115.11 112.79 1wpn h GLN 80 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1wpn h GLN 80 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.46 1wpn h GLN 80 CO -0.07 0.00 -0.35 1.04 -0.00 0.00 0.00 178.83 179.45 1wpn n GLN 81 N -2.94 0.03 -1.02 0.06 6.02 -0.43 -4.94 117.38 114.16 1wpn n GLN 81 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1wpn n GLN 81 Cb 0.28 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1wpn n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wpn n SER 82 N -1.57 0.06 -4.77 1.08 2.88 -0.51 -0.47 113.62 110.32 1wpn n SER 82 Ca 0.06 -0.98 -0.35 0.00 -1.33 0.00 0.00 58.87 56.26 1wpn n SER 82 Cb 0.35 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.82 1wpn n SER 82 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1wpn s ILE 83 N 0.95 3.03 0.43 2.46 2.07 -1.26 -4.67 121.20 124.21 1wpn s ILE 83 Ca 0.00 0.63 0.12 0.00 -1.41 0.00 0.00 60.65 59.99 1wpn s ILE 83 Cb 0.00 -3.24 0.19 0.00 0.13 0.00 0.00 42.46 39.54 1wpn s ILE 83 CO 0.00 -0.15 1.99 0.07 -1.91 0.00 0.00 174.94 174.95 1wpn h LYS 84 N 1.05 0.13 -0.87 3.50 2.10 -1.93 -1.95 116.57 118.61 1wpn h LYS 84 Ca -0.50 -0.02 -0.48 0.00 -2.00 0.00 0.00 60.65 57.65 1wpn h LYS 84 Cb 1.27 -0.02 -0.27 0.00 -0.90 0.00 0.00 32.23 32.31 1wpn h LYS 84 CO 0.56 0.24 0.51 -0.40 -2.00 0.00 0.00 179.45 178.36 1wpn n ASP 85 N -4.35 4.11 0.14 7.07 5.75 -1.26 -4.69 116.55 123.32 1wpn n ASP 85 Ca -0.01 -3.68 0.16 0.00 -0.01 0.00 0.00 54.79 51.25 1wpn n ASP 85 Cb 0.21 -0.81 0.74 0.00 -1.03 0.00 0.00 41.12 40.24 1wpn n ASP 85 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1wpn h ILE 86 N 1.03 0.67 0.00 2.12 6.09 -1.72 0.77 117.51 126.47 1wpn h ILE 86 Ca 0.55 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.04 1wpn h ILE 86 Cb 2.32 0.83 0.00 0.00 0.47 0.00 0.00 36.82 40.44 1wpn h ILE 86 CO 1.04 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 175.50 1wpn n GLU 87 N -4.15 0.15 0.00 2.19 1.02 -1.26 -2.78 120.64 115.81 1wpn n GLU 87 Ca 0.04 0.36 0.13 0.00 -0.02 0.00 0.00 57.16 57.67 1wpn n GLU 87 Cb 0.38 -1.78 0.30 0.00 -0.02 0.00 0.00 31.44 30.32 1wpn n GLU 87 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wpn n GLU 88 N -2.07 1.98 -4.38 3.49 1.02 0.26 -4.93 120.64 116.02 1wpn n GLU 88 Ca 0.03 -1.44 -0.19 0.00 -0.02 0.00 0.00 57.16 55.53 1wpn n GLU 88 Cb 0.23 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 1wpn n GLU 88 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wpn s VAL 89 N -2.01 1.27 -0.13 2.62 -7.23 -1.12 -4.82 120.40 108.99 1wpn s VAL 89 Ca 0.33 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.26 1wpn s VAL 89 Cb 0.20 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1wpn s VAL 89 CO 0.32 -0.28 0.45 -1.58 -0.31 0.00 0.00 175.10 173.71 1wpn s GLN 90 N -3.82 4.33 -0.54 4.82 0.74 -0.26 -4.98 119.66 119.96 1wpn s GLN 90 Ca 0.30 0.40 -0.27 0.00 0.05 0.00 0.00 55.36 55.84 1wpn s GLN 90 Cb 0.05 -3.44 0.03 0.00 1.10 0.00 0.00 33.01 30.76 1wpn s GLN 90 CO 0.11 0.16 1.08 0.08 -0.55 0.00 0.00 175.29 176.16 1wpn s VAL 91 N 0.63 4.22 0.04 1.34 1.01 -1.26 -1.31 120.40 125.06 1wpn s VAL 91 Ca 0.25 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 1wpn s VAL 91 Cb -0.15 -4.61 -0.33 0.00 0.00 0.00 0.00 36.38 31.29 1wpn s VAL 91 CO 0.09 -1.15 1.05 -0.07 0.00 0.00 0.00 175.10 175.03 1wpn h LEU 92 N 11.35 0.79 -7.62 3.92 3.38 -1.29 -3.46 115.31 122.38 1wpn h LEU 92 Ca -0.25 -0.82 -0.09 0.00 0.09 0.00 0.00 57.88 56.82 1wpn h LEU 92 Cb 1.06 -0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 1wpn h LEU 92 CO 1.13 1.63 -0.27 -1.61 0.09 0.00 0.00 178.44 179.41 1wpn s GLU 93 N -2.70 0.85 -0.03 1.13 2.02 -1.24 -2.17 118.70 116.55 1wpn s GLU 93 Ca -0.08 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.25 1wpn s GLU 93 Cb 0.05 0.36 0.02 0.00 0.10 0.00 0.00 34.13 34.66 1wpn s GLU 93 CO 0.94 -0.28 -0.04 0.08 0.02 0.00 0.00 175.26 175.97 1wpn s VAL 94 N -3.11 0.47 -0.19 2.63 1.01 -0.36 -1.36 120.40 119.50 1wpn s VAL 94 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1wpn s VAL 94 Cb 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1wpn s VAL 94 CO -0.07 0.20 -0.16 -0.63 0.00 0.00 0.00 175.10 174.44 1wpn s ILE 95 N 0.73 1.91 0.26 2.22 -1.09 -0.29 -0.49 121.20 124.46 1wpn s ILE 95 Ca -0.09 -0.99 -0.18 0.00 -2.23 0.00 0.00 60.65 57.15 1wpn s ILE 95 Cb -0.12 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.95 1wpn s ILE 95 CO -0.00 0.38 0.64 -0.62 -1.23 0.00 0.00 174.94 174.11 1wpn s ASP 96 N 1.32 -0.22 -0.02 3.58 3.68 -0.36 -0.57 116.67 124.07 1wpn s ASP 96 Ca 0.02 -0.69 0.08 0.00 2.13 0.00 0.00 52.55 54.09 1wpn s ASP 96 Cb -0.14 0.68 0.13 0.00 -1.45 0.00 0.00 42.92 42.14 1wpn s ASP 96 CO -0.11 -1.27 1.06 0.00 0.13 0.00 0.00 175.17 174.99 1wpn n HIS 97 N -0.43 0.00 -4.15 -5.34 1.44 -1.26 -2.15 115.22 103.32 1wpn n HIS 97 Ca -0.04 -0.27 -0.25 0.00 -2.01 0.00 0.00 57.72 55.15 1wpn n HIS 97 Cb 0.60 -0.09 -0.07 0.00 0.12 0.00 0.00 29.99 30.55 1wpn n HIS 97 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1wpn s HIS 98 N -0.46 2.60 0.92 -1.40 3.76 -1.26 -4.66 115.29 114.79 1wpn s HIS 98 Ca 0.12 -0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 1wpn s HIS 98 Cb 0.12 -1.95 0.11 0.00 1.11 0.00 0.00 32.58 31.97 1wpn s HIS 98 CO -0.03 0.20 0.92 2.89 -0.85 0.00 0.00 174.74 177.87 1wpn n ARG 99 N -1.23 -0.35 -4.04 1.40 -4.01 -1.26 -4.99 116.66 102.18 1wpn n ARG 99 Ca -0.01 -0.04 -0.35 0.00 -1.04 0.00 0.00 57.85 56.41 1wpn n ARG 99 Cb 0.65 -2.22 -0.11 0.00 -3.04 0.00 0.00 32.46 27.73 1wpn n ARG 99 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1wpn s ILE 100 N -2.52 4.42 0.14 8.89 1.01 -1.26 -4.86 121.20 127.03 1wpn s ILE 100 Ca 0.64 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.90 1wpn s ILE 100 Cb -0.23 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.31 1wpn s ILE 100 CO 0.60 0.43 0.65 0.00 0.00 0.00 0.00 174.94 176.63 1wpn s ALA 101 N 0.71 -1.62 -1.50 9.38 0.00 -1.26 -4.97 121.76 122.50 1wpn s ALA 101 Ca 0.02 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 1wpn s ALA 101 Cb -0.14 0.81 0.07 0.00 0.00 0.00 0.00 23.12 23.87 1wpn s ALA 101 CO 0.02 -0.77 0.87 0.09 0.00 0.00 0.00 175.76 175.97 1wpn n ASN 102 N -0.36 -3.64 -3.67 0.00 3.02 -1.26 -3.93 115.26 105.42 1wpn n ASN 102 Ca -0.15 -0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 53.48 1wpn n ASN 102 Cb 0.64 -3.75 -0.10 0.00 -0.61 0.00 0.00 39.78 35.97 1wpn n ASN 102 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1wpn s PHE 103 N -3.42 -0.73 0.04 3.10 2.19 -1.26 -1.08 117.98 116.82 1wpn s PHE 103 Ca 0.50 1.45 -0.07 0.00 0.33 0.00 0.00 56.93 59.14 1wpn s PHE 103 Cb -0.25 0.29 -0.00 0.00 -1.31 0.00 0.00 43.02 41.75 1wpn s PHE 103 CO 0.84 -0.44 0.14 -1.21 1.83 0.00 0.00 175.22 176.38 1wpn s GLU 104 N 2.21 0.63 0.13 10.12 2.02 -1.26 -5.10 118.70 127.46 1wpn s GLU 104 Ca -0.04 -0.68 0.08 0.00 0.02 0.00 0.00 54.97 54.34 1wpn s GLU 104 Cb -0.11 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 1wpn s GLU 104 CO -0.13 -0.17 -0.18 0.95 0.02 0.00 0.00 175.26 175.76 1wpn s THR 105 N -2.53 1.62 0.12 3.63 -4.23 -1.26 -5.04 115.64 107.96 1wpn s THR 105 Ca -0.05 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 1wpn s THR 105 Cb -0.01 -1.64 -0.21 0.00 1.34 0.00 0.00 72.50 71.97 1wpn s THR 105 CO -0.04 -0.27 1.27 0.00 -0.54 0.00 0.00 174.62 175.05 1wpn h ALA 106 N 3.60 0.34 -2.10 3.99 0.00 -2.00 -3.47 119.26 119.62 1wpn h ALA 106 Ca -0.43 -0.89 -0.53 0.00 0.00 0.00 0.00 54.91 53.07 1wpn h ALA 106 Cb 1.20 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1wpn h ALA 106 CO 0.47 1.19 -0.70 -1.21 0.00 0.00 0.00 179.25 179.01 1wpn s GLU 107 N -2.74 1.58 0.93 0.00 0.41 -1.26 -5.13 118.70 112.49 1wpn s GLU 107 Ca 0.00 -1.78 -0.10 0.00 -0.41 0.00 0.00 54.97 52.68 1wpn s GLU 107 Cb 0.10 -1.34 0.14 0.00 -1.78 0.00 0.00 34.13 31.25 1wpn s GLU 107 CO 0.83 0.13 1.07 -2.30 -0.49 0.00 0.00 175.26 174.49 1wpn n PRO 108 N -0.59 -0.54 -3.95 0.39 -0.02 -1.26 -5.04 135.00 123.99 1wpn n PRO 108 Ca -0.06 -0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.23 1wpn n PRO 108 Cb 0.62 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1wpn n PRO 108 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1wpn s LEU 109 N -6.09 0.33 -0.54 2.45 2.34 -1.26 -4.99 118.68 110.92 1wpn s LEU 109 Ca 0.66 -1.09 -0.20 0.00 0.06 0.00 0.00 54.13 53.56 1wpn s LEU 109 Cb -0.23 2.13 0.07 0.00 -0.56 0.00 0.00 46.19 47.60 1wpn s LEU 109 CO 0.59 -1.37 0.69 -0.47 -1.06 0.00 0.00 176.35 174.73 1wpn s TYR 110 N -3.26 3.00 -0.23 3.48 5.04 -0.92 -5.02 117.35 119.42 1wpn s TYR 110 Ca 0.21 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.21 1wpn s TYR 110 Cb -0.03 -3.74 0.01 0.00 0.35 0.00 0.00 41.96 38.56 1wpn s TYR 110 CO 0.12 -1.16 -0.06 -0.47 -1.34 0.00 0.00 175.55 172.64 1wpn s TYR 111 N 2.82 3.00 -0.28 4.97 6.14 -1.26 -1.22 117.35 131.52 1wpn s TYR 111 Ca 0.16 -1.33 0.01 0.00 0.64 0.00 0.00 57.07 56.55 1wpn s TYR 111 Cb -0.20 -2.07 0.08 0.00 0.42 0.00 0.00 41.96 40.19 1wpn s TYR 111 CO 0.11 -0.67 0.02 0.50 0.64 0.00 0.00 175.55 176.15 1wpn s ARG 112 N 1.38 1.26 -0.05 4.97 3.52 0.36 -4.96 118.95 125.43 1wpn s ARG 112 Ca 0.03 -1.21 0.05 0.00 -0.13 0.00 0.00 55.73 54.47 1wpn s ARG 112 Cb -0.15 -2.53 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 1wpn s ARG 112 CO -0.05 -0.81 -0.19 0.00 -0.81 0.00 0.00 175.30 173.45 1wpn s ALA 113 N 1.36 2.47 0.06 6.12 0.00 -1.26 -1.23 121.76 129.28 1wpn s ALA 113 Ca 0.03 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1wpn s ALA 113 Cb -0.18 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1wpn s ALA 113 CO -0.13 0.52 -0.14 -1.21 0.00 0.00 0.00 175.76 174.81 1wpn s GLU 114 N -0.59 0.84 -1.51 0.00 2.02 -0.92 -4.98 118.70 113.56 1wpn s GLU 114 Ca 0.09 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 54.12 1wpn s GLU 114 Cb -0.11 -0.84 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 1wpn s GLU 114 CO 0.01 0.19 2.71 -0.35 0.02 0.00 0.00 175.26 177.84 1wpn n PRO 115 N 1.53 3.97 -4.38 0.39 -0.04 -1.26 -4.34 135.00 130.87 1wpn n PRO 115 Ca -0.20 -2.69 -0.29 0.00 -0.04 0.00 0.00 63.50 60.28 1wpn n PRO 115 Cb 0.54 -2.77 -0.05 0.00 -0.04 0.00 0.00 33.50 31.18 1wpn n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wpn s VAL 116 N 1.03 1.51 -1.50 0.52 -7.23 -1.26 -4.98 120.40 108.49 1wpn s VAL 116 Ca 0.63 -1.79 0.27 0.00 -1.81 0.00 0.00 61.98 59.28 1wpn s VAL 116 Cb 0.18 -2.30 0.26 0.00 0.56 0.00 0.00 36.38 35.08 1wpn s VAL 116 CO -0.07 0.00 1.64 0.61 -0.31 0.00 0.00 175.10 176.97 1wpn n GLY 117 N -1.42 -0.91 3.54 2.32 0.00 -1.19 -4.86 105.19 102.68 1wpn n GLY 117 Ca -0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1wpn n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpn h THR 119 N 3.93 1.19 0.00 0.00 2.02 -1.92 -2.73 112.91 115.41 1wpn h THR 119 Ca -0.28 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1wpn h THR 119 Cb 1.16 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1wpn h THR 119 CO 0.15 0.20 -0.09 0.00 0.37 0.00 0.00 175.52 176.15 1wpn h ALA 120 N 1.52 1.20 -0.81 6.16 0.00 -1.90 -0.27 119.26 125.15 1wpn h ALA 120 Ca 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1wpn h ALA 120 Cb -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1wpn h ALA 120 CO -0.05 0.11 0.35 1.15 0.00 0.00 0.00 179.25 180.81 1wpn h THR 121 N 0.00 1.26 -0.18 0.00 2.02 -1.82 -0.24 112.91 113.94 1wpn h THR 121 Ca -0.00 -0.77 -0.19 0.00 0.77 0.00 0.00 66.41 66.21 1wpn h THR 121 Cb 0.32 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1wpn h THR 121 CO 0.01 0.32 -0.65 0.40 0.37 0.00 0.00 175.52 175.98 1wpn h ILE 122 N 1.16 1.29 -0.21 3.11 2.04 -1.17 -3.06 117.51 120.67 1wpn h ILE 122 Ca 0.27 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.22 1wpn h ILE 122 Cb 0.17 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1wpn h ILE 122 CO -0.03 0.59 -0.11 -0.07 0.00 0.00 0.00 178.15 178.53 1wpn h LEU 123 N 0.49 0.32 -0.63 1.44 3.38 -0.98 -1.51 115.31 117.82 1wpn h LEU 123 Ca -0.03 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1wpn h LEU 123 Cb 1.27 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1wpn h LEU 123 CO 0.14 0.47 0.37 -1.13 0.09 0.00 0.00 178.44 178.38 1wpn h ASN 124 N 0.32 0.59 -0.64 -0.43 -1.24 -0.99 -0.20 115.58 113.00 1wpn h ASN 124 Ca 0.07 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.10 1wpn h ASN 124 Cb 0.40 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 1wpn h ASN 124 CO 0.02 0.40 0.42 0.11 -1.29 0.00 0.00 177.43 177.09 1wpn h LYS 125 N 0.72 0.82 -0.31 6.67 1.57 -1.22 -2.78 116.57 122.05 1wpn h LYS 125 Ca 0.26 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1wpn h LYS 125 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1wpn h LYS 125 CO -0.13 0.54 -0.24 0.52 -0.57 0.00 0.00 179.45 179.58 1wpn h MET 126 N 0.84 0.60 -0.68 3.15 2.86 -0.40 0.57 114.93 121.88 1wpn h MET 126 Ca 0.24 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1wpn h MET 126 Cb -0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1wpn h MET 126 CO -0.06 0.79 0.43 1.88 1.06 0.00 0.00 176.91 181.00 1wpn h TYR 127 N 0.53 0.80 -0.29 -0.22 -1.99 -0.92 -2.10 116.97 112.78 1wpn h TYR 127 Ca 0.08 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.68 1wpn h TYR 127 Cb 0.69 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1wpn h TYR 127 CO 0.03 0.46 -0.43 0.87 -0.00 0.00 0.00 178.16 179.08 1wpn h LYS 128 N 0.84 0.74 0.00 4.88 1.57 -1.14 -1.59 116.57 121.87 1wpn h LYS 128 Ca 0.27 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1wpn h LYS 128 Cb 0.01 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1wpn h LYS 128 CO -0.10 1.03 -0.12 0.93 -0.57 0.00 0.00 179.45 180.61 1wpn h GLU 129 N 0.60 0.00 -0.17 3.15 5.08 -0.62 -2.27 114.58 120.34 1wpn h GLU 129 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wpn h GLU 129 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1wpn h GLU 129 CO 0.09 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 1wpn n ASN 130 N -3.94 3.08 -3.63 1.42 3.02 -0.81 -4.98 115.26 109.42 1wpn n ASN 130 Ca -0.02 -1.95 -0.22 0.00 -0.03 0.00 0.00 54.58 52.36 1wpn n ASN 130 Cb 0.21 -0.10 0.06 0.00 -0.61 0.00 0.00 39.78 39.34 1wpn n ASN 130 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wpn n ASN 131 N 1.32 -3.15 -4.32 6.41 3.02 -0.67 -4.98 115.26 112.87 1wpn n ASN 131 Ca 0.15 -0.69 -0.34 0.00 -0.03 0.00 0.00 54.58 53.67 1wpn n ASN 131 Cb 0.57 -4.59 -0.14 0.00 -0.61 0.00 0.00 39.78 35.01 1wpn n ASN 131 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wpn s VAL 132 N -3.43 3.24 0.31 2.41 1.01 -0.74 -5.06 120.40 118.14 1wpn s VAL 132 Ca 0.23 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1wpn s VAL 132 Cb -0.11 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.72 1wpn s VAL 132 CO 0.77 0.46 1.55 -0.75 0.00 0.00 0.00 175.10 177.13 1wpn s LYS 133 N 1.12 4.14 -0.33 2.72 2.20 -1.26 -4.61 119.74 123.72 1wpn s LYS 133 Ca 0.01 2.54 -0.21 0.00 -0.36 0.00 0.00 55.97 57.95 1wpn s LYS 133 Cb -0.15 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1wpn s LYS 133 CO -0.01 -0.58 0.68 0.42 -0.36 0.00 0.00 175.35 175.50 1wpn s ILE 134 N -0.29 4.87 0.64 5.43 1.01 -1.26 -5.05 121.20 126.54 1wpn s ILE 134 Ca 0.60 0.82 -0.17 0.00 0.00 0.00 0.00 60.65 61.90 1wpn s ILE 134 Cb -0.47 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 1wpn s ILE 134 CO 0.51 -0.26 1.19 -1.61 0.00 0.00 0.00 174.94 174.77 1wpn s GLU 135 N 2.77 2.74 0.24 2.79 2.02 -1.26 -4.77 118.70 123.23 1wpn s GLU 135 Ca 0.27 1.72 -0.07 0.00 0.02 0.00 0.00 54.97 56.90 1wpn s GLU 135 Cb -0.14 -1.91 0.41 0.00 0.10 0.00 0.00 34.13 32.59 1wpn s GLU 135 CO 0.14 -1.36 1.65 -0.22 0.02 0.00 0.00 175.26 175.49 1wpn h LYS 136 N 0.43 0.14 -0.45 1.61 3.64 -1.95 -0.14 116.57 119.85 1wpn h LYS 136 Ca -0.49 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.75 1wpn h LYS 136 Cb 1.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1wpn h LYS 136 CO 0.54 0.09 -0.21 0.93 -2.27 0.00 0.00 179.45 178.52 1wpn h GLU 137 N 0.14 0.94 -0.51 1.90 3.07 -1.90 -0.67 114.58 117.55 1wpn h GLU 137 Ca 0.39 -0.41 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1wpn h GLU 137 Cb 0.68 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 1wpn h GLU 137 CO -0.60 1.07 0.17 0.82 -1.40 0.00 0.00 179.01 179.08 1wpn h ILE 138 N 0.78 1.23 -1.01 3.13 1.08 -1.75 -1.71 117.51 119.26 1wpn h ILE 138 Ca 0.10 -0.74 0.03 0.00 -0.39 0.00 0.00 64.86 63.86 1wpn h ILE 138 Cb 0.79 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.23 1wpn h ILE 138 CO 0.07 0.27 0.66 0.00 -0.69 0.00 0.00 178.15 178.46 1wpn h ALA 139 N 1.03 1.32 -0.79 1.87 0.00 -0.79 0.15 119.26 122.04 1wpn h ALA 139 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1wpn h ALA 139 Cb 0.25 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1wpn h ALA 139 CO -0.01 0.60 0.39 0.78 0.00 0.00 0.00 179.25 181.01 1wpn h GLY 140 N 1.31 1.20 1.20 0.00 0.00 -0.63 0.60 103.07 106.75 1wpn h GLY 140 Ca 0.39 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1wpn h GLY 140 CO -0.11 0.56 -0.07 1.41 0.00 0.00 0.00 176.54 178.33 1wpn h LEU 141 N 1.10 0.93 -0.68 3.11 3.38 -0.67 -0.95 115.31 121.55 1wpn h LEU 141 Ca 0.27 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1wpn h LEU 141 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wpn h LEU 141 CO -0.04 1.03 -0.24 0.24 0.09 0.00 0.00 178.44 179.52 1wpn h MET 142 N 0.86 0.77 -0.66 1.13 2.86 -0.63 -1.19 114.93 118.07 1wpn h MET 142 Ca 0.15 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1wpn h MET 142 Cb 0.59 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1wpn h MET 142 CO 0.04 0.93 0.31 1.25 1.06 0.00 0.00 176.91 180.50 1wpn h LEU 143 N 0.66 0.87 -0.58 1.22 5.85 -0.77 -2.25 115.31 120.31 1wpn h LEU 143 Ca 0.09 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1wpn h LEU 143 Cb 0.76 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1wpn h LEU 143 CO 0.06 0.77 0.36 0.28 -0.34 0.00 0.00 178.44 179.57 1wpn h SER 144 N 0.92 0.60 -0.48 1.25 0.02 -0.77 -0.23 113.55 114.85 1wpn h SER 144 Ca 0.23 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1wpn h SER 144 Cb 0.13 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1wpn h SER 144 CO -0.03 0.42 0.20 0.00 -1.14 0.00 0.00 176.83 176.29 1wpn h ALA 145 N 1.25 0.60 -0.39 3.77 0.00 -0.91 -0.01 119.26 123.55 1wpn h ALA 145 Ca 0.23 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1wpn h ALA 145 Cb -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wpn h ALA 145 CO -0.09 -0.17 -0.19 0.82 0.00 0.00 0.00 179.25 179.62 1wpn h ILE 146 N 0.40 1.28 -0.62 0.00 2.04 -0.81 -0.48 117.51 119.32 1wpn h ILE 146 Ca 0.22 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1wpn h ILE 146 Cb 0.19 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1wpn h ILE 146 CO -0.20 0.44 0.39 0.40 0.00 0.00 0.00 178.15 179.19 1wpn h ILE 147 N 0.63 1.11 0.05 -0.67 2.04 -0.86 -0.46 117.51 119.34 1wpn h ILE 147 Ca 0.09 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1wpn h ILE 147 Cb 0.75 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1wpn h ILE 147 CO 0.06 0.14 -0.02 -1.28 0.00 0.00 0.00 178.15 177.05 1wpn h SER 148 N 0.78 -0.06 0.72 1.72 0.87 -0.75 -1.26 113.55 115.57 1wpn h SER 148 Ca 0.24 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1wpn h SER 148 Cb -0.02 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1wpn h SER 148 CO -0.08 0.16 -0.44 0.44 -0.53 0.00 0.00 176.83 176.38 1wpn h ASP 149 N -0.28 0.00 0.18 6.23 3.32 -0.99 -2.95 116.42 121.93 1wpn h ASP 149 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1wpn h ASP 149 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wpn h ASP 149 CO 0.01 0.44 -0.22 -1.54 -1.72 0.00 0.00 179.24 176.21 1wpn n SER 150 N -3.67 1.18 -3.57 6.45 3.41 -0.19 -4.90 113.62 112.33 1wpn n SER 150 Ca -0.01 -1.03 -0.21 0.00 -0.26 0.00 0.00 58.87 57.36 1wpn n SER 150 Cb 0.52 0.13 0.05 0.00 -0.26 0.00 0.00 64.21 64.65 1wpn n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wpn n LEU 151 N -0.46 -3.67 -3.84 1.04 4.77 -0.63 -0.98 117.00 113.24 1wpn n LEU 151 Ca 0.13 -0.78 -0.24 0.00 -0.03 0.00 0.00 56.01 55.08 1wpn n LEU 151 Cb 0.36 -2.82 0.01 0.00 -2.33 0.00 0.00 43.42 38.64 1wpn n LEU 151 CO 0.24 0.36 -0.10 -0.11 -1.33 0.00 0.00 177.39 176.45 1wpn n LEU 152 N -4.07 -2.67 -0.99 2.23 7.94 -0.57 -2.25 117.00 116.62 1wpn n LEU 152 Ca -0.24 -0.89 -0.12 0.00 -1.11 0.00 0.00 56.01 53.65 1wpn n LEU 152 Cb 0.66 -2.47 -0.05 0.00 0.53 0.00 0.00 43.42 42.09 1wpn n LEU 152 CO 0.65 0.42 -0.12 0.49 -1.11 0.00 0.00 177.39 177.72 1wpn n PHE 153 N -4.37 -0.07 0.95 1.96 3.01 -0.85 -4.88 117.46 113.21 1wpn n PHE 153 Ca -0.25 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.31 1wpn n PHE 153 Cb 0.66 -2.30 -0.09 0.00 -0.01 0.00 0.00 39.48 37.74 1wpn n PHE 153 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wpn n LYS 154 N -2.59 0.60 -3.01 -1.08 5.02 -0.35 -4.96 118.16 111.78 1wpn n LYS 154 Ca -0.12 -0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 55.54 1wpn n LYS 154 Cb 0.42 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1wpn n LYS 154 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wpn s SER 155 N -2.76 7.27 0.55 4.39 0.15 -0.15 -4.95 113.70 118.19 1wpn s SER 155 Ca 0.10 1.58 0.32 0.00 0.70 0.00 0.00 55.95 58.65 1wpn s SER 155 Cb 0.16 -2.48 1.75 0.00 -1.71 0.00 0.00 66.02 63.74 1wpn s SER 155 CO 0.75 0.13 1.97 1.55 1.20 0.00 0.00 173.24 178.85 1wpn h PRO 156 N 3.93 0.00 0.00 5.44 0.13 -1.93 -1.78 132.00 137.80 1wpn h PRO 156 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wpn h PRO 156 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wpn h PRO 156 CO 0.66 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.22 1wpn h THR 157 N 0.00 0.00 -3.01 1.56 1.35 -1.93 -3.45 112.91 107.43 1wpn h THR 157 Ca 0.00 -0.81 -0.53 0.00 -0.55 0.00 0.00 66.41 64.52 1wpn h THR 157 Cb 0.25 1.80 0.02 0.00 -1.73 0.00 0.00 68.15 68.49 1wpn h THR 157 CO 0.00 0.00 0.72 0.00 -0.25 0.00 0.00 175.52 175.99 1wpn s THR 159 N 1.25 2.34 0.46 0.00 -4.23 -1.26 -4.96 115.64 109.25 1wpn s THR 159 Ca 0.64 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.67 1wpn s THR 159 Cb -0.36 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 70.82 1wpn s THR 159 CO 0.30 0.00 2.08 0.44 -0.54 0.00 0.00 174.62 176.90 1wpn h ASP 160 N 1.28 0.26 -0.80 3.99 3.32 -1.99 -1.46 116.42 121.01 1wpn h ASP 160 Ca -0.42 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1wpn h ASP 160 Cb 1.26 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 1wpn h ASP 160 CO 0.66 0.18 0.32 1.56 -1.72 0.00 0.00 179.24 180.25 1wpn h GLN 161 N 0.30 1.19 -0.54 3.56 4.20 -1.99 -0.59 115.11 121.25 1wpn h GLN 161 Ca 0.11 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1wpn h GLN 161 Cb 0.07 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1wpn h GLN 161 CO -0.02 0.96 0.05 -0.44 -0.67 0.00 0.00 178.83 178.71 1wpn h ASP 162 N 1.16 0.89 -0.57 1.46 3.32 -1.69 -0.81 116.42 120.18 1wpn h ASP 162 Ca 0.27 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1wpn h ASP 162 Cb 0.21 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1wpn h ASP 162 CO -0.02 0.95 0.22 0.58 -1.72 0.00 0.00 179.24 179.24 1wpn h VAL 163 N 0.80 1.23 -0.69 -1.35 2.07 -1.15 -0.36 116.25 116.80 1wpn h VAL 163 Ca 0.16 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1wpn h VAL 163 Cb 0.46 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1wpn h VAL 163 CO 0.02 0.28 0.13 0.00 0.02 0.00 0.00 177.57 178.02 1wpn h ALA 164 N 1.07 0.91 -0.45 1.67 0.00 -0.98 -0.80 119.26 120.67 1wpn h ALA 164 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1wpn h ALA 164 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1wpn h ALA 164 CO -0.01 0.66 0.10 0.00 0.00 0.00 0.00 179.25 179.99 1wpn h ALA 165 N 1.06 0.60 -0.56 0.00 0.00 -0.96 -2.34 119.26 117.07 1wpn h ALA 165 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1wpn h ALA 165 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wpn h ALA 165 CO 0.01 0.30 0.22 0.00 0.00 0.00 0.00 179.25 179.78 1wpn h ALA 166 N 0.96 1.33 -0.40 0.00 0.00 -0.69 0.05 119.26 120.51 1wpn h ALA 166 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wpn h ALA 166 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wpn h ALA 166 CO 0.00 0.50 0.20 0.87 0.00 0.00 0.00 179.25 180.82 1wpn h LYS 167 N 0.80 0.57 -0.22 0.00 1.57 -0.92 0.57 116.57 118.94 1wpn h LYS 167 Ca 0.19 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1wpn h LYS 167 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1wpn h LYS 167 CO -0.02 0.49 0.12 0.93 -0.57 0.00 0.00 179.45 180.40 1wpn h GLU 168 N 0.51 0.31 -0.07 3.15 5.08 -1.02 -2.76 114.58 119.77 1wpn h GLU 168 Ca 0.14 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1wpn h GLU 168 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1wpn h GLU 168 CO -0.02 0.28 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.54 1wpn h LEU 169 N 0.25 0.35 -0.83 1.33 3.38 -0.77 -1.91 115.31 117.12 1wpn h LEU 169 Ca 0.08 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1wpn h LEU 169 Cb 0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1wpn h LEU 169 CO -0.01 0.92 0.31 0.00 0.09 0.00 0.00 178.44 179.75 1wpn h ALA 170 N 1.08 1.07 -0.47 1.53 0.00 -0.87 0.52 119.26 122.12 1wpn h ALA 170 Ca -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1wpn h ALA 170 Cb 1.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wpn h ALA 170 CO 0.11 0.66 0.18 1.49 0.00 0.00 0.00 179.25 181.69 1wpn h GLU 171 N 1.14 0.71 -0.50 0.00 4.81 -1.21 -0.60 114.58 118.93 1wpn h GLU 171 Ca 0.26 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1wpn h GLU 171 Cb 0.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1wpn h GLU 171 CO -0.02 0.65 0.12 0.82 -0.73 0.00 0.00 179.01 179.84 1wpn h ILE 172 N 0.62 1.24 0.00 2.32 2.04 -1.14 -2.83 117.51 119.76 1wpn h ILE 172 Ca 0.16 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1wpn h ILE 172 Cb 0.21 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1wpn h ILE 172 CO -0.01 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.45 1wpn h ALA 173 N 0.99 1.00 -0.23 1.87 0.00 -0.76 -3.41 119.26 118.72 1wpn h ALA 173 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1wpn h ALA 173 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wpn h ALA 173 CO 0.00 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.62 1wpn n GLY 174 N 0.33 0.33 3.33 0.00 0.00 -0.28 -4.89 105.19 104.02 1wpn n GLY 174 Ca 0.02 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 1wpn n GLY 174 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpn s VAL 175 N -2.09 1.71 -0.21 1.61 -7.23 -0.90 -5.06 120.40 108.23 1wpn s VAL 175 Ca 0.00 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 57.79 1wpn s VAL 175 Cb 0.00 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 1wpn s VAL 175 CO 0.00 -0.54 0.88 -0.62 -0.31 0.00 0.00 175.10 174.51 1wpn s ASP 176 N -3.13 6.94 0.27 4.85 2.15 -1.26 -4.55 116.67 121.93 1wpn s ASP 176 Ca 0.20 1.17 -0.03 0.00 0.43 0.00 0.00 52.55 54.32 1wpn s ASP 176 Cb -0.02 -2.47 0.35 0.00 -0.30 0.00 0.00 42.92 40.48 1wpn s ASP 176 CO 0.06 -0.50 1.81 0.00 -0.17 0.00 0.00 175.17 176.37 1wpn h ALA 177 N 7.49 1.17 -0.11 3.66 0.00 -1.95 -0.91 119.26 128.61 1wpn h ALA 177 Ca -0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1wpn h ALA 177 Cb 1.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wpn h ALA 177 CO 0.88 0.57 -0.08 1.49 0.00 0.00 0.00 179.25 182.10 1wpn h GLU 178 N 0.87 0.26 0.03 0.00 4.81 -1.98 0.70 114.58 119.27 1wpn h GLU 178 Ca 0.19 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1wpn h GLU 178 Cb 0.29 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1wpn h GLU 178 CO -0.00 0.64 -0.02 1.49 -0.73 0.00 0.00 179.01 180.39 1wpn h GLU 179 N -0.12 -0.04 -0.23 1.92 4.81 -1.94 0.21 114.58 119.18 1wpn h GLU 179 Ca 0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1wpn h GLU 179 Cb 0.57 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1wpn h GLU 179 CO 0.02 0.10 0.11 -0.92 -0.73 0.00 0.00 179.01 177.59 1wpn h TYR 180 N -0.17 0.34 -0.84 0.92 3.20 -1.26 -2.78 116.97 116.38 1wpn h TYR 180 Ca -0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1wpn h TYR 180 Cb 0.16 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1wpn h TYR 180 CO -0.03 0.33 0.55 0.78 -1.64 0.00 0.00 178.16 178.15 1wpn h GLY 181 N 0.25 1.20 1.32 1.82 0.00 -0.66 -0.21 103.07 106.79 1wpn h GLY 181 Ca 0.08 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1wpn h GLY 181 CO -0.01 0.40 0.04 1.41 0.00 0.00 0.00 176.54 178.38 1wpn h LEU 182 N 1.11 0.80 -0.61 3.11 3.38 -0.91 0.38 115.31 122.56 1wpn h LEU 182 Ca 0.32 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1wpn h LEU 182 Cb -0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1wpn h LEU 182 CO -0.09 0.84 -0.00 0.78 0.09 0.00 0.00 178.44 180.06 1wpn h ASN 183 N 0.79 1.07 -0.17 -0.43 2.35 -1.13 -1.41 115.58 116.64 1wpn h ASN 183 Ca 0.16 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1wpn h ASN 183 Cb 0.42 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1wpn h ASN 183 CO 0.01 1.11 0.03 -0.03 -1.65 0.00 0.00 177.43 176.90 1wpn h MET 184 N 0.99 0.29 -0.41 0.81 4.05 -0.80 -2.26 114.93 117.59 1wpn h MET 184 Ca 0.17 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 1wpn h MET 184 Cb 0.57 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1wpn h MET 184 CO 0.03 0.46 -0.09 -0.07 0.23 0.00 0.00 176.91 177.48 1wpn h LEU 185 N 0.07 0.70 -1.43 3.39 3.38 -0.86 -2.20 115.31 118.37 1wpn h LEU 185 Ca 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1wpn h LEU 185 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wpn h LEU 185 CO 0.00 0.83 -0.23 0.11 0.09 0.00 0.00 178.44 179.24 1wpn h LYS 186 N 0.66 0.00 0.00 1.13 1.57 -1.13 -1.97 116.57 116.84 1wpn h LYS 186 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1wpn h LYS 186 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1wpn h LYS 186 CO 0.03 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 1wpn h ALA 187 N 1.77 1.00 -0.02 3.86 0.00 -0.78 -3.49 119.26 121.59 1wpn h ALA 187 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wpn h ALA 187 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wpn h ALA 187 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69