#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi s SER 2 N 0.00 -0.08 -0.11 7.83 1.04 -1.26 -5.16 113.70 115.97 1wpi s SER 2 Ca 0.00 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1wpi s SER 2 Cb 0.00 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1wpi s SER 2 CO 0.00 -0.88 0.18 -0.36 0.98 0.00 0.00 173.24 173.16 1wpi s PHE 3 N -3.88 -0.21 -0.05 5.02 0.08 -1.26 -5.02 117.98 112.66 1wpi s PHE 3 Ca 0.09 0.58 -0.21 0.00 0.12 0.00 0.00 56.93 57.50 1wpi s PHE 3 Cb 0.02 -0.26 -0.31 0.00 -0.57 0.00 0.00 43.02 41.90 1wpi s PHE 3 CO -0.06 -0.33 0.87 -1.49 -0.10 0.00 0.00 175.22 174.10 1wpi h TRP 4 N 8.35 0.56 0.00 0.36 -0.00 -2.01 -3.17 115.95 120.04 1wpi h TRP 4 Ca -0.14 -0.41 0.00 0.00 -0.00 0.00 0.00 58.89 58.35 1wpi h TRP 4 Cb 1.12 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1wpi h TRP 4 CO 0.37 1.35 0.00 1.63 -0.00 0.00 0.00 178.44 181.79 1wpi n LYS 5 N -4.09 0.05 -3.16 0.49 4.76 -1.26 -4.95 118.16 110.00 1wpi n LYS 5 Ca -0.15 0.21 -0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1wpi n LYS 5 Cb 0.84 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1wpi n LYS 5 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1wpi n THR 6 N -1.67 -1.90 -3.63 -0.18 5.66 -1.20 -5.01 114.28 106.34 1wpi n THR 6 Ca 0.04 0.41 -0.05 0.00 -3.05 0.00 0.00 64.05 61.40 1wpi n THR 6 Cb 0.24 -2.94 -0.06 0.00 -1.55 0.00 0.00 70.33 66.02 1wpi n THR 6 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1wpi s LEU 7 N -0.79 -0.19 0.00 1.09 1.43 -1.26 -5.06 118.68 113.90 1wpi s LEU 7 Ca -0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1wpi s LEU 7 Cb 0.00 1.40 0.00 0.00 0.03 0.00 0.00 46.19 47.62 1wpi s LEU 7 CO 0.01 -0.10 0.00 1.67 0.23 0.00 0.00 176.35 178.16 1wpi n GLN 8 N 1.38 0.00 -4.42 1.70 -0.06 -1.26 -4.65 117.38 110.07 1wpi n GLN 8 Ca -0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.59 1wpi n GLN 8 Cb 0.57 -0.39 -0.10 0.00 -4.06 0.00 0.00 30.24 26.26 1wpi n GLN 8 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1wpi s ARG 9 N 0.00 2.58 -0.07 3.69 0.52 -1.26 -5.10 118.95 119.31 1wpi s ARG 9 Ca 0.00 -0.71 -0.21 0.00 -0.52 0.00 0.00 55.73 54.29 1wpi s ARG 9 Cb 0.00 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1wpi s ARG 9 CO 0.00 0.60 0.60 1.14 0.02 0.00 0.00 175.30 177.66 1wpi s GLN 10 N -1.47 4.37 0.00 3.54 0.00 -1.26 -4.90 119.66 119.94 1wpi s GLN 10 Ca 0.18 0.70 0.00 0.00 -0.00 0.00 0.00 55.36 56.23 1wpi s GLN 10 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 33.01 29.48 1wpi s GLN 10 CO 0.08 0.17 0.00 -0.35 0.00 0.00 0.00 175.29 175.19 1wpi n PRO 11 N 3.49 0.89 0.00 9.60 -0.04 -1.26 -4.86 135.00 142.82 1wpi n PRO 11 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1wpi n PRO 11 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1wpi n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wpi n ARG 12 N -0.09 0.00 -4.09 0.54 0.63 -1.26 -4.97 116.66 107.41 1wpi n ARG 12 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1wpi n ARG 12 Cb 0.00 -0.39 -0.16 0.00 0.45 0.00 0.00 32.46 32.36 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wpi s THR 13 N -1.09 2.05 -0.22 5.15 2.01 -1.26 -3.71 115.64 118.57 1wpi s THR 13 Ca 0.00 -1.15 -0.08 0.00 0.31 0.00 0.00 61.69 60.77 1wpi s THR 13 Cb 0.00 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1wpi s THR 13 CO 0.00 0.34 0.08 -0.63 -0.69 0.00 0.00 174.62 173.72 1wpi s ILE 14 N 1.25 4.67 -0.57 1.82 -1.09 -1.24 -3.69 121.20 122.35 1wpi s ILE 14 Ca 0.00 -0.06 -0.18 0.00 -2.23 0.00 0.00 60.65 58.18 1wpi s ILE 14 Cb -0.15 -3.15 0.10 0.00 -1.58 0.00 0.00 42.46 37.68 1wpi s ILE 14 CO -0.10 0.39 0.65 -0.44 -1.23 0.00 0.00 174.94 174.20 1wpi s SER 15 N 1.03 6.19 -0.22 3.58 0.01 0.35 -2.56 113.70 122.07 1wpi s SER 15 Ca 0.05 -1.43 -0.04 0.00 1.31 0.00 0.00 55.95 55.84 1wpi s SER 15 Cb -0.14 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wpi s SER 15 CO 0.03 -1.02 -0.05 -0.22 0.41 0.00 0.00 173.24 172.39 1wpi s LEU 16 N 2.44 2.92 0.20 2.44 1.98 -0.26 0.63 118.68 129.03 1wpi s LEU 16 Ca 0.10 -0.45 0.02 0.00 -2.89 0.00 0.00 54.13 50.91 1wpi s LEU 16 Cb -0.25 -1.73 -0.04 0.00 0.66 0.00 0.00 46.19 44.84 1wpi s LEU 16 CO 0.06 -0.03 0.35 -0.36 -1.89 0.00 0.00 176.35 174.48 1wpi s PHE 17 N 1.46 3.48 -0.12 5.38 0.08 0.32 -2.12 117.98 126.46 1wpi s PHE 17 Ca 0.05 0.19 -0.08 0.00 0.12 0.00 0.00 56.93 57.21 1wpi s PHE 17 Cb -0.14 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1wpi s PHE 17 CO -0.04 0.43 0.16 0.99 -0.10 0.00 0.00 175.22 176.66 1wpi s THR 18 N -1.87 5.46 -0.27 0.64 2.01 0.11 -2.61 115.64 119.11 1wpi s THR 18 Ca 0.36 0.27 0.22 0.00 0.31 0.00 0.00 61.69 62.85 1wpi s THR 18 Cb -0.11 -3.44 0.50 0.00 0.01 0.00 0.00 72.50 69.47 1wpi s THR 18 CO 0.29 0.60 1.10 -3.20 -0.69 0.00 0.00 174.62 172.73 1wpi n ASN 19 N 2.10 1.71 -1.51 3.53 5.15 -1.19 -3.89 115.26 121.15 1wpi n ASN 19 Ca -0.19 -2.14 0.00 0.00 -0.60 0.00 0.00 54.58 51.65 1wpi n ASN 19 Cb 0.55 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wpi n ASP 20 N -0.57 -6.74 0.10 1.20 -0.08 -1.24 -3.08 116.55 106.14 1wpi n ASP 20 Ca 0.09 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1wpi n ASP 20 Cb 0.81 -4.34 0.00 0.00 2.34 0.00 0.00 41.12 39.93 1wpi n ASP 20 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wpi n ILE 21 N -1.58 0.00 -0.87 5.18 -0.00 -1.11 -2.16 119.36 118.82 1wpi n ILE 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1wpi n ILE 21 Cb 0.16 -0.11 0.00 0.00 -0.00 0.00 0.00 39.64 39.69 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wpi n ALA 22 N -2.97 0.00 -0.50 -1.39 0.00 -1.26 -4.77 120.51 109.62 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wpi n SER 23 N 0.00 0.00 -4.50 0.00 7.64 -1.26 -3.05 113.62 112.45 1wpi n SER 23 Ca 0.00 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 1wpi n SER 23 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wpi s ASN 24 N -1.51 6.20 0.30 6.43 -0.87 -1.26 -4.87 114.94 119.35 1wpi s ASN 24 Ca 0.00 -0.69 0.06 0.00 -1.57 0.00 0.00 52.86 50.66 1wpi s ASN 24 Cb 0.00 -2.48 0.76 0.00 -0.02 0.00 0.00 41.25 39.52 1wpi s ASN 24 CO 0.00 -1.56 1.73 0.40 -2.57 0.00 0.00 177.10 175.10 1wpi h ILE 25 N 6.01 0.57 0.00 0.60 5.03 -1.94 2.65 117.51 130.43 1wpi h ILE 25 Ca -0.28 -0.19 -0.01 0.00 -0.12 0.00 0.00 64.86 64.26 1wpi h ILE 25 Cb 1.06 -0.04 -0.00 0.00 -3.03 0.00 0.00 36.82 34.81 1wpi h ILE 25 CO 1.21 0.10 -0.12 0.07 -0.68 0.00 0.00 178.15 178.73 1wpi h LYS 26 N 0.56 0.00 0.24 2.37 -0.00 -1.90 -3.13 116.57 114.71 1wpi h LYS 26 Ca 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 61.23 1wpi h LYS 26 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.26 1wpi h LYS 26 CO -0.46 0.21 -0.24 1.03 -0.00 0.00 0.00 179.45 179.99 1wpi h SER 27 N -1.00 -0.65 -1.32 7.07 0.87 -1.84 -1.62 113.55 115.06 1wpi h SER 27 Ca -0.01 0.05 0.43 0.00 -1.23 0.00 0.00 61.79 61.03 1wpi h SER 27 Cb 0.30 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.35 1wpi h SER 27 CO -0.01 -0.32 0.85 -0.61 -0.53 0.00 0.00 176.83 176.22 1wpi h GLN 28 N -0.48 0.09 0.00 2.24 5.75 0.44 0.92 115.11 124.08 1wpi h GLN 28 Ca -0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1wpi h GLN 28 Cb 0.41 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1wpi h GLN 28 CO -0.03 0.06 0.00 1.17 -2.65 0.00 0.00 178.83 177.38 1wpi n LYS 29 N -4.67 0.00 -0.10 1.69 3.00 -0.62 -3.35 118.16 114.11 1wpi n LYS 29 Ca 0.37 0.18 -0.18 0.00 -0.00 0.00 0.00 58.31 58.69 1wpi n LYS 29 Cb 1.42 -0.84 -0.07 0.00 0.00 0.00 0.00 35.03 35.54 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpi n LEU 31 N -4.42 -0.03 -0.00 0.00 7.99 0.29 0.28 117.00 121.11 1wpi n LEU 31 Ca -0.29 0.98 -0.17 0.00 -0.01 0.00 0.00 56.01 56.52 1wpi n LEU 31 Cb 0.62 -0.37 -0.12 0.00 -0.11 0.00 0.00 43.42 43.43 1wpi n LEU 31 CO 0.13 -1.01 0.27 1.56 -1.51 0.00 0.00 177.39 176.83 1wpi h GLN 32 N 0.00 0.24 -0.29 3.23 1.08 -0.77 -2.48 115.11 116.12 1wpi h GLN 32 Ca 0.37 -0.31 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1wpi h GLN 32 Cb 0.80 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 28.26 1wpi h GLN 32 CO -0.53 1.06 -0.19 1.25 -0.95 0.00 0.00 178.83 179.47 1wpi h LEU 33 N -0.44 -0.63 -1.77 1.46 5.85 0.42 0.34 115.31 120.54 1wpi h LEU 33 Ca -0.07 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1wpi h LEU 33 Cb 1.25 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1wpi h LEU 33 CO 0.09 -0.23 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.77 1wpi h LEU 34 N -0.17 0.00 0.00 2.25 4.07 0.89 0.11 115.31 122.47 1wpi h LEU 34 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1wpi h LEU 34 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1wpi h LEU 34 CO -0.39 0.12 0.00 1.17 -1.08 0.00 0.00 178.44 178.26 1wpi n LYS 35 N -4.39 0.29 0.00 1.13 4.81 0.12 -3.70 118.16 116.42 1wpi n LYS 35 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1wpi n LYS 35 Cb 0.19 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1wpi n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpi n GLY 36 N -0.41 1.20 0.00 3.14 0.00 0.39 -5.01 105.19 104.50 1wpi n GLY 36 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1wpi n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wpi n ASP 37 N -0.28 0.00 -3.60 1.61 2.03 -1.24 -5.10 116.55 109.97 1wpi n ASP 37 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1wpi n ASP 37 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1wpi n ASP 37 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wpi s VAL 38 N 0.00 0.01 -5.00 5.18 1.01 -1.26 -4.99 120.40 115.35 1wpi s VAL 38 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1wpi s VAL 38 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1wpi s VAL 38 CO 0.00 -0.03 0.00 -1.20 0.00 0.00 0.00 175.10 173.87 1wpi n SER 39 N 1.64 0.00 -3.63 3.32 7.64 -1.26 -4.97 113.62 116.36 1wpi n SER 39 Ca -0.17 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.69 1wpi n SER 39 Cb 0.56 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 1wpi n SER 39 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1wpi s HIS 40 N -2.28 -0.02 0.00 1.43 2.46 -1.26 -4.77 115.29 110.86 1wpi s HIS 40 Ca 0.00 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.54 1wpi s HIS 40 Cb 0.00 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 1wpi s HIS 40 CO 0.00 -0.03 0.00 2.89 -2.47 0.00 0.00 174.74 175.13 1wpi n ARG 41 N -0.08 0.00 -4.31 2.88 1.85 -1.26 -4.80 116.66 110.94 1wpi n ARG 41 Ca 0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.71 1wpi n ARG 41 Cb 0.57 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.89 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 1wpi s PHE 42 N 0.00 1.52 -0.20 2.89 -0.71 -1.26 -4.90 117.98 115.32 1wpi s PHE 42 Ca 0.00 -1.30 -0.12 0.00 -1.04 0.00 0.00 56.93 54.48 1wpi s PHE 42 Cb 0.00 -0.84 -0.05 0.00 -1.21 0.00 0.00 43.02 40.93 1wpi s PHE 42 CO 0.00 -0.46 0.20 -0.51 -1.34 0.00 0.00 175.22 173.11 1wpi s ASP 43 N -3.32 6.26 -0.00 1.98 1.11 -1.24 -4.88 116.67 116.57 1wpi s ASP 43 Ca 0.37 0.29 -0.20 0.00 0.18 0.00 0.00 52.55 53.19 1wpi s ASP 43 Cb 0.06 -2.13 -0.05 0.00 1.07 0.00 0.00 42.92 41.87 1wpi s ASP 43 CO 0.15 0.10 0.56 -0.69 1.18 0.00 0.00 175.17 176.47 1wpi s VAL 44 N 0.70 4.92 -0.36 -1.27 1.01 -1.26 -3.63 120.40 120.51 1wpi s VAL 44 Ca 0.11 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 1wpi s VAL 44 Cb -0.13 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1wpi s VAL 44 CO 0.02 0.45 0.15 -1.61 0.00 0.00 0.00 175.10 174.11 1wpi s GLU 45 N -0.35 2.65 -0.40 2.72 0.41 -1.06 -5.02 118.70 117.64 1wpi s GLU 45 Ca 0.30 -1.20 -0.01 0.00 -0.41 0.00 0.00 54.97 53.64 1wpi s GLU 45 Cb -0.18 -3.56 0.11 0.00 -1.78 0.00 0.00 34.13 28.72 1wpi s GLU 45 CO 0.16 -0.72 0.17 0.42 -0.49 0.00 0.00 175.26 174.81 1wpi s ILE 46 N 1.43 2.99 -0.07 -1.63 1.09 -1.24 -1.10 121.20 122.67 1wpi s ILE 46 Ca -0.00 -2.23 -0.04 0.00 -1.10 0.00 0.00 60.65 57.28 1wpi s ILE 46 Cb -0.20 -3.08 0.03 0.00 -1.06 0.00 0.00 42.46 38.15 1wpi s ILE 46 CO 0.03 -0.68 0.17 0.00 -0.10 0.00 0.00 174.94 174.37 1wpi s ALA 47 N 0.97 -0.37 -0.20 9.38 0.00 -0.90 -4.95 121.76 125.68 1wpi s ALA 47 Ca 0.10 0.68 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 1wpi s ALA 47 Cb -0.22 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wpi s ALA 47 CO -0.05 -0.14 0.74 0.54 0.00 0.00 0.00 175.76 176.85 1wpi s ASN 48 N 0.87 6.80 0.10 0.00 2.20 -1.26 -0.71 114.94 122.93 1wpi s ASN 48 Ca -0.06 0.98 -0.22 0.00 -0.94 0.00 0.00 52.86 52.62 1wpi s ASN 48 Cb -0.08 -2.40 0.06 0.00 -2.00 0.00 0.00 41.25 36.82 1wpi s ASN 48 CO -0.05 -0.37 0.54 0.00 -2.94 0.00 0.00 177.10 174.29 1wpi s ARG 49 N 2.21 1.14 0.07 3.55 1.70 -1.25 -4.68 118.95 121.69 1wpi s ARG 49 Ca 0.33 -0.38 -0.31 0.00 -0.47 0.00 0.00 55.73 54.90 1wpi s ARG 49 Cb -0.16 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 1wpi s ARG 49 CO 0.10 -0.45 1.41 -0.59 -1.08 0.00 0.00 175.30 174.69 1wpi s PHE 50 N -3.13 3.05 -0.07 5.89 -0.71 -1.24 -4.75 117.98 117.02 1wpi s PHE 50 Ca -0.02 0.87 -0.05 0.00 -1.04 0.00 0.00 56.93 56.69 1wpi s PHE 50 Cb -0.00 -3.69 -0.20 0.00 -1.21 0.00 0.00 43.02 37.92 1wpi s PHE 50 CO -0.07 -2.50 2.83 -0.35 -1.34 0.00 0.00 175.22 173.79 1wpi n PRO 51 N 4.55 1.58 -1.72 1.99 -0.04 -1.26 -4.91 135.00 135.19 1wpi n PRO 51 Ca 0.12 -0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 62.41 1wpi n PRO 51 Cb 0.43 -1.92 0.07 0.00 -0.04 0.00 0.00 33.50 32.04 1wpi n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wpi s THR 52 N 1.57 2.18 0.32 0.52 -4.23 -1.26 -4.73 115.64 110.01 1wpi s THR 52 Ca 0.51 0.11 0.25 0.00 -1.18 0.00 0.00 61.69 61.37 1wpi s THR 52 Cb 0.23 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 71.36 1wpi s THR 52 CO -0.00 -0.03 1.97 4.11 -0.54 0.00 0.00 174.62 180.12 1wpi h TRP 53 N 0.43 0.00 -0.18 3.99 5.08 -1.92 0.50 115.95 123.85 1wpi h TRP 53 Ca -0.50 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.50 1wpi h TRP 53 Cb 1.32 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.42 1wpi h TRP 53 CO 0.43 0.18 -0.53 -0.44 -1.28 0.00 0.00 178.44 176.81 1wpi h ASP 54 N 0.00 -1.69 0.17 0.11 5.19 -1.96 2.16 116.42 120.39 1wpi h ASP 54 Ca -0.00 0.20 -0.36 0.00 -0.62 0.00 0.00 57.03 56.25 1wpi h ASP 54 Cb 0.51 0.66 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1wpi h ASP 54 CO 0.02 -0.45 -1.91 1.56 -3.12 0.00 0.00 179.24 175.34 1wpi h GLN 55 N -0.53 0.29 0.00 3.56 7.50 -1.90 -3.32 115.11 120.71 1wpi h GLN 55 Ca 0.04 -0.50 -0.00 0.00 0.50 0.00 0.00 58.65 58.68 1wpi h GLN 55 Cb 0.64 0.19 -0.00 0.00 0.05 0.00 0.00 27.48 28.36 1wpi h GLN 55 CO -0.45 1.22 -0.02 1.25 -1.50 0.00 0.00 178.83 179.33 1wpi h LEU 56 N 0.08 0.00 -0.96 1.46 7.12 0.06 -2.46 115.31 120.61 1wpi h LEU 56 Ca -0.39 0.00 0.31 0.00 0.13 0.00 0.00 57.88 57.93 1wpi h LEU 56 Cb 2.05 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 42.02 1wpi h LEU 56 CO 0.12 0.02 0.31 -0.61 -0.13 0.00 0.00 178.44 178.14 1wpi h GLN 57 N 0.00 0.10 0.37 1.25 5.75 0.35 1.56 115.11 124.49 1wpi h GLN 57 Ca -0.00 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1wpi h GLN 57 Cb 0.06 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1wpi h GLN 57 CO 0.00 0.07 -0.40 1.88 -2.65 0.00 0.00 178.83 177.73 1wpi h TYR 58 N 0.11 -1.10 -0.03 3.99 0.05 -1.67 -1.61 116.97 116.70 1wpi h TYR 58 Ca 0.68 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 59.36 1wpi h TYR 58 Cb 1.55 0.43 -0.01 0.00 1.01 0.00 0.00 36.73 39.71 1wpi h TYR 58 CO -0.23 -0.55 -0.49 0.52 -1.05 0.00 0.00 178.16 176.36 1wpi h MET 59 N -0.80 0.08 -0.83 4.88 2.86 -0.81 -2.86 114.93 117.44 1wpi h MET 59 Ca -0.03 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1wpi h MET 59 Cb 0.73 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 1wpi h MET 59 CO -0.08 0.55 0.54 -0.09 1.06 0.00 0.00 176.91 178.89 1wpi h ARG 60 N 0.06 0.74 -0.29 1.72 2.43 0.25 -0.85 114.38 118.45 1wpi h ARG 60 Ca 0.00 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 1wpi h ARG 60 Cb 0.89 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1wpi h ARG 60 CO 0.07 0.49 -0.51 1.79 -1.51 0.00 0.00 179.97 180.30 1wpi h THR 61 N 0.76 1.28 -2.82 0.20 1.35 -1.08 -3.32 112.91 109.28 1wpi h THR 61 Ca 0.39 -1.70 -0.81 0.00 -0.55 0.00 0.00 66.41 63.74 1wpi h THR 61 Cb 0.47 1.64 -0.28 0.00 -1.73 0.00 0.00 68.15 68.25 1wpi h THR 61 CO -0.16 0.55 0.84 -1.20 -0.25 0.00 0.00 175.52 175.31 1wpi n SER 62 N -4.05 6.46 0.00 5.36 7.64 -0.34 -4.90 113.62 123.80 1wpi n SER 62 Ca -0.04 -3.43 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1wpi n SER 62 Cb 0.61 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpi h PRO 64 N 0.00 0.56 -0.01 0.00 0.13 -1.90 -3.17 132.00 127.60 1wpi h PRO 64 Ca 0.00 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1wpi h PRO 64 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1wpi h PRO 64 CO 0.00 1.17 -0.35 1.04 -0.23 0.00 0.00 178.00 179.63 1wpi n GLN 65 N -3.83 1.18 0.00 0.86 6.02 -1.26 -4.92 117.38 115.43 1wpi n GLN 65 Ca -0.07 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1wpi n GLN 65 Cb 0.81 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.59 1wpi n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wpi n GLY 66 N 1.38 0.00 0.08 1.08 0.00 -1.20 0.20 105.19 106.72 1wpi n GLY 66 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1wpi n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wpi h PRO 67 N 0.00 -0.04 -1.26 1.61 0.13 -1.88 -3.16 132.00 127.39 1wpi h PRO 67 Ca 0.00 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.50 1wpi h PRO 67 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 1wpi h PRO 67 CO 0.00 0.62 1.14 -0.24 -0.23 0.00 0.00 178.00 179.30 1wpi h VAL 68 N -0.79 0.10 -0.12 1.56 3.04 -0.10 1.46 116.25 121.39 1wpi h VAL 68 Ca -0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1wpi h VAL 68 Cb 0.69 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 1wpi h VAL 68 CO 0.01 0.00 0.06 -1.28 -1.01 0.00 0.00 177.57 175.34 1wpi h SER 69 N 0.00 0.16 0.07 3.17 0.87 0.23 0.15 113.55 118.20 1wpi h SER 69 Ca 0.60 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1wpi h SER 69 Cb 2.88 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 64.80 1wpi h SER 69 CO -0.01 0.25 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.44 1wpi h LEU 70 N 0.06 -0.08 -0.92 2.23 -0.00 0.18 -0.25 115.31 116.52 1wpi h LEU 70 Ca 0.04 -0.52 0.23 0.00 -0.00 0.00 0.00 57.88 57.63 1wpi h LEU 70 Cb 0.13 0.02 -0.13 0.00 -0.00 0.00 0.00 40.66 40.69 1wpi h LEU 70 CO -0.00 0.53 0.45 1.56 -0.00 0.00 0.00 178.44 180.97 1wpi h GLN 71 N -0.76 0.42 0.00 1.13 4.20 -1.02 1.29 115.11 120.37 1wpi h GLN 71 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wpi h GLN 71 Cb 0.60 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wpi h GLN 71 CO 0.02 0.28 -0.10 0.00 -0.67 0.00 0.00 178.83 178.36 1wpi h ARG 72 N 0.44 0.00 -0.26 1.46 2.47 -0.70 -3.26 114.38 114.53 1wpi h ARG 72 Ca 0.59 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 59.21 1wpi h ARG 72 Cb 1.12 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1wpi h ARG 72 CO -0.52 0.00 -0.22 0.37 0.56 0.00 0.00 179.97 180.16 1wpi h GLN 73 N 0.00 0.60 -7.47 0.04 5.75 0.34 -3.45 115.11 110.93 1wpi h GLN 73 Ca 0.00 -0.31 -0.49 0.00 -0.15 0.00 0.00 58.65 57.70 1wpi h GLN 73 Cb 0.93 0.01 0.08 0.00 1.07 0.00 0.00 27.48 29.56 1wpi h GLN 73 CO 0.00 0.90 0.42 -1.50 -2.65 0.00 0.00 178.83 175.99 1wpi s ILE 74 N -4.40 3.53 0.00 2.39 2.07 -0.19 -4.73 121.20 119.87 1wpi s ILE 74 Ca -0.13 0.50 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1wpi s ILE 74 Cb 0.08 -3.49 0.00 0.00 0.13 0.00 0.00 42.46 39.18 1wpi s ILE 74 CO 0.80 -0.65 0.00 -0.81 -1.91 0.00 0.00 174.94 172.38 1wpi n PRO 75 N -3.00 0.30 -3.39 3.50 -0.04 -1.26 -4.21 135.00 126.90 1wpi n PRO 75 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 1wpi n PRO 75 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1wpi n PRO 75 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wpi n LYS 76 N -0.58 -0.97 -0.19 0.54 0.00 -1.26 -4.59 118.16 111.11 1wpi n LYS 76 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 58.31 58.28 1wpi n LYS 76 Cb 0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 35.03 33.21 1wpi n LYS 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1wpi h LEU 77 N -0.37 -1.22 -1.15 3.14 4.07 -1.82 2.31 115.31 120.27 1wpi h LEU 77 Ca -0.32 0.18 0.29 0.00 0.08 0.00 0.00 57.88 58.11 1wpi h LEU 77 Cb 0.69 0.53 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 1wpi h LEU 77 CO 0.35 -0.17 1.17 -0.78 -1.08 0.00 0.00 178.44 177.93 1wpi h ASP 78 N -0.07 0.00 0.16 -0.43 3.58 -1.91 8.75 116.42 126.50 1wpi h ASP 78 Ca 0.08 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1wpi h ASP 78 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1wpi h ASP 78 CO -0.49 0.00 -0.08 -1.28 -2.88 0.00 0.00 179.24 174.52 1wpi h SER 79 N 0.00 -0.18 0.80 2.28 0.87 0.36 -3.19 113.55 114.48 1wpi h SER 79 Ca 0.48 0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.80 1wpi h SER 79 Cb 2.81 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 64.80 1wpi h SER 79 CO -0.01 0.14 -1.14 1.62 -0.53 0.00 0.00 176.83 176.91 1wpi h VAL 80 N -0.75 1.59 0.00 2.23 3.04 0.81 0.29 116.25 123.45 1wpi h VAL 80 Ca -0.02 -3.22 0.00 0.00 -1.01 0.00 0.00 66.70 62.44 1wpi h VAL 80 Cb 0.16 2.89 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1wpi h VAL 80 CO 0.04 0.93 0.00 -0.11 -1.01 0.00 0.00 177.57 177.41 1wpi n LEU 81 N -3.44 0.00 0.00 3.16 -0.00 2.74 -4.33 117.00 115.13 1wpi n LEU 81 Ca -0.05 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 1wpi n LEU 81 Cb 0.99 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1wpi n LEU 81 CO 0.51 -0.35 0.00 1.17 -0.00 0.00 0.00 177.39 178.71 1wpi n LYS 82 N -1.38 0.00 0.00 1.96 4.81 -1.16 -4.91 118.16 117.48 1wpi n LYS 82 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1wpi n LYS 82 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 9.36 -0.54 -5.04 117.16 126.58 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wpi n TYR 83 Cb 0.00 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wpi n LYS 84 N 0.00 2.32 0.08 2.98 4.81 0.90 -3.46 118.16 125.78 1wpi n LYS 84 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1wpi n LYS 84 Cb 0.34 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.53 1wpi n LYS 84 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1wpi n HIS 85 N 0.00 0.00 0.16 5.64 -0.00 -1.26 0.21 115.22 119.97 1wpi n HIS 85 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 1wpi n HIS 85 Cb 0.00 -0.08 0.43 0.00 -0.12 0.00 0.00 29.99 30.21 1wpi n HIS 85 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1wpi n THR 86 N -2.32 0.75 0.00 3.57 5.66 -1.25 -3.90 114.28 116.79 1wpi n THR 86 Ca 0.07 0.74 0.00 0.00 -3.05 0.00 0.00 64.05 61.81 1wpi n THR 86 Cb 0.92 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 1wpi n THR 86 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1wpi n ASP 87 N -2.11 0.00 -0.53 1.09 2.03 0.56 -3.70 116.55 113.89 1wpi n ASP 87 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1wpi n ASP 87 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpi n PRO 88 N 0.00 0.75 -0.03 -0.67 -0.04 -1.26 -3.25 135.00 130.50 1wpi n PRO 88 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1wpi n PRO 88 Cb 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 1wpi n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpi h THR 89 N 0.02 1.59 0.00 0.52 1.03 -1.68 -3.38 112.91 111.01 1wpi h THR 89 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.01 1wpi h THR 89 Cb 0.40 3.19 0.00 0.00 -1.07 0.00 0.00 68.15 70.67 1wpi h THR 89 CO 0.00 0.62 -1.78 0.49 -0.01 0.00 0.00 175.52 174.84 1wpi n PHE 90 N -4.41 0.00 0.00 0.00 3.72 -1.22 -4.15 117.46 111.40 1wpi n PHE 90 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1wpi n PHE 90 Cb 0.62 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wpi n GLY 91 N 1.39 -1.49 0.55 1.37 0.00 -1.20 -1.73 105.19 104.08 1wpi n GLY 91 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N -0.62 0.00 -3.52 1.61 -0.00 -1.26 -2.10 117.12 111.23 1wpi n MET 92 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.28 1wpi n MET 92 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 33.22 33.14 1wpi n MET 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpi s ASP 93 N -0.37 5.80 0.38 3.17 1.01 -1.26 -3.65 116.67 121.76 1wpi s ASP 93 Ca 0.00 -1.73 0.21 0.00 0.71 0.00 0.00 52.55 51.74 1wpi s ASP 93 Cb 0.00 -2.05 0.47 0.00 1.01 0.00 0.00 42.92 42.35 1wpi s ASP 93 CO 0.00 -0.67 1.63 0.25 0.21 0.00 0.00 175.17 176.59 1wpi h LEU 94 N 8.53 0.00 -2.01 1.23 6.46 -0.78 -3.08 115.31 125.66 1wpi h LEU 94 Ca -0.24 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.68 1wpi h LEU 94 Cb 1.08 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1wpi h LEU 94 CO 0.86 0.28 0.43 1.56 -0.62 0.00 0.00 178.44 180.95 1wpi h GLN 95 N 0.00 0.00 -0.08 1.25 7.50 -1.84 0.83 115.11 122.77 1wpi h GLN 95 Ca -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1wpi h GLN 95 Cb 1.05 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 1wpi h GLN 95 CO 0.04 0.00 -0.06 0.87 -1.50 0.00 0.00 178.83 178.18 1wpi h LYS 96 N 0.00 0.12 0.00 1.46 1.79 -1.83 1.65 116.57 119.77 1wpi h LYS 96 Ca 0.25 -0.02 -0.38 0.00 -2.18 0.00 0.00 60.65 58.32 1wpi h LYS 96 Cb 1.11 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.69 1wpi h LYS 96 CO -0.00 0.18 -2.11 0.00 -1.08 0.00 0.00 179.45 176.44 1wpi h VAL 98 N -0.92 1.00 -0.28 0.00 2.07 0.40 0.40 116.25 118.92 1wpi h VAL 98 Ca -0.58 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1wpi h VAL 98 Cb 1.54 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1wpi h VAL 98 CO -0.32 0.09 0.95 0.06 0.02 0.00 0.00 177.57 178.37 1wpi h GLN 99 N 0.49 0.00 0.00 1.57 -0.00 0.23 -3.40 115.11 113.99 1wpi h GLN 99 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1wpi h GLN 99 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1wpi h GLN 99 CO -0.06 0.00 0.00 -2.13 -0.00 0.00 0.00 178.83 176.64 1wpi n ARG 100 N -2.79 0.00 0.00 0.06 0.00 -0.38 -5.08 116.66 108.47 1wpi n ARG 100 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1wpi n ARG 100 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.50 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpi n GLY 101 N 0.00 -3.05 0.00 5.14 0.00 0.13 -4.42 105.19 102.99 1wpi n GLY 101 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -3.84 0.99 -0.00 -1.20 -4.49 117.00 108.46 1wpi n LEU 102 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1wpi n LEU 102 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1wpi n LEU 102 CO 0.00 0.00 -0.10 0.86 -0.00 0.00 0.00 177.39 178.15 1wpi s TRP 103 N -0.59 -0.00 -0.64 1.96 -0.11 -1.26 -5.10 118.94 113.20 1wpi s TRP 103 Ca 0.00 -0.11 -0.21 0.00 1.22 0.00 0.00 56.10 57.00 1wpi s TRP 103 Cb 0.00 -0.01 0.08 0.00 -1.50 0.00 0.00 33.47 32.04 1wpi s TRP 103 CO 0.00 -0.37 0.89 0.54 -4.62 0.00 0.00 176.95 173.39 1wpi s ASN 104 N -1.69 6.18 0.82 5.86 4.22 -1.26 -4.45 114.94 124.62 1wpi s ASN 104 Ca -0.10 -1.13 -0.12 0.00 -2.14 0.00 0.00 52.86 49.37 1wpi s ASN 104 Cb -0.04 -2.38 0.08 0.00 1.28 0.00 0.00 41.25 40.19 1wpi s ASN 104 CO -0.00 -1.35 1.11 -2.16 -2.04 0.00 0.00 177.10 172.66 1wpi s PRO 105 N 3.66 1.89 -0.30 3.55 0.04 -1.26 -4.97 135.00 137.60 1wpi s PRO 105 Ca 0.19 0.57 0.19 0.00 0.04 0.00 0.00 61.00 61.99 1wpi s PRO 105 Cb -0.19 -1.90 0.47 0.00 0.04 0.00 0.00 34.50 32.92 1wpi s PRO 105 CO 0.09 -1.74 1.16 1.63 0.04 0.00 0.00 177.00 178.17 1wpi n LYS 106 N -3.50 1.46 -4.27 4.56 4.01 -0.92 -2.76 118.16 116.74 1wpi n LYS 106 Ca 0.07 -2.92 -0.18 0.00 -0.51 0.00 0.00 58.31 54.77 1wpi n LYS 106 Cb 0.57 -1.04 -0.11 0.00 -0.51 0.00 0.00 35.03 33.94 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wpi s GLU 107 N -2.63 1.09 0.01 1.97 0.41 -1.09 -4.86 118.70 113.60 1wpi s GLU 107 Ca 0.24 -1.33 0.07 0.00 -0.41 0.00 0.00 54.97 53.54 1wpi s GLU 107 Cb 0.39 -0.94 -0.03 0.00 -1.78 0.00 0.00 34.13 31.77 1wpi s GLU 107 CO -0.04 0.17 -0.21 0.00 -0.49 0.00 0.00 175.26 174.70 1wpi s ALA 108 N -2.40 2.45 -0.31 5.21 0.00 -1.26 -3.20 121.76 122.25 1wpi s ALA 108 Ca 0.12 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 1wpi s ALA 108 Cb -0.03 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1wpi s ALA 108 CO 0.04 0.55 0.05 -0.51 0.00 0.00 0.00 175.76 175.89 1wpi s LEU 109 N -1.06 3.94 -0.11 0.00 2.01 -1.07 -0.33 118.68 122.06 1wpi s LEU 109 Ca 0.12 -1.00 -0.00 0.00 0.01 0.00 0.00 54.13 53.26 1wpi s LEU 109 Cb -0.10 -1.81 -0.02 0.00 0.01 0.00 0.00 46.19 44.26 1wpi s LEU 109 CO 0.02 -0.25 -0.09 -1.66 1.01 0.00 0.00 176.35 175.39 1wpi s TRP 110 N 1.39 2.90 -0.25 0.29 1.48 -0.97 0.12 118.94 123.90 1wpi s TRP 110 Ca -0.01 -0.28 -0.13 0.00 -1.06 0.00 0.00 56.10 54.62 1wpi s TRP 110 Cb -0.18 -1.81 0.08 0.00 -1.16 0.00 0.00 33.47 30.40 1wpi s TRP 110 CO 0.01 0.05 0.60 0.14 -4.06 0.00 0.00 176.95 173.69 1wpi s VAL 111 N -0.13 -0.18 0.05 -0.66 -7.23 0.21 -1.85 120.40 110.60 1wpi s VAL 111 Ca 0.01 0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.26 1wpi s VAL 111 Cb -0.13 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1wpi s VAL 111 CO 0.03 0.01 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.14 1wpi s ASP 112 N 1.82 4.57 0.00 4.85 2.15 0.87 0.13 116.67 131.06 1wpi s ASP 112 Ca -0.09 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1wpi s ASP 112 Cb -0.07 -1.00 0.00 0.00 -0.30 0.00 0.00 42.92 41.55 1wpi s ASP 112 CO -0.18 0.23 0.77 1.87 -0.17 0.00 0.00 175.17 177.69 1wpi n TRP 113 N 1.15 0.00 -0.07 -5.34 -0.00 -1.24 -2.07 117.44 109.87 1wpi n TRP 113 Ca -0.14 -0.29 -0.22 0.00 -0.00 0.00 0.00 57.50 56.85 1wpi n TRP 113 Cb 0.52 -0.03 -0.12 0.00 -0.00 0.00 0.00 31.31 31.68 1wpi n TRP 113 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1wpi h GLU 114 N 0.00 0.08 -0.14 5.87 4.22 -1.93 -3.39 114.58 119.29 1wpi h GLU 114 Ca 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 1wpi h GLU 114 Cb 0.41 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1wpi h GLU 114 CO 0.00 1.06 -0.05 0.09 -2.18 0.00 0.00 179.01 177.93 1wpi n ASN 115 N -4.19 2.90 -3.63 1.04 3.02 -1.26 -4.86 115.26 108.28 1wpi n ASN 115 Ca -0.31 -3.21 -0.23 0.00 -0.03 0.00 0.00 54.58 50.80 1wpi n ASN 115 Cb 0.77 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wpi n LYS 116 N -1.02 -3.36 -4.60 3.52 2.85 -1.26 -4.97 118.16 109.31 1wpi n LYS 116 Ca 0.20 0.61 -0.34 0.00 -1.05 0.00 0.00 58.31 57.73 1wpi n LYS 116 Cb 0.79 -4.96 -0.11 0.00 -0.65 0.00 0.00 35.03 30.09 1wpi n LYS 116 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1wpi s LEU 117 N -6.41 3.17 -0.08 -5.58 1.98 -0.88 -4.98 118.68 105.90 1wpi s LEU 117 Ca 0.21 -0.05 -0.13 0.00 -2.89 0.00 0.00 54.13 51.27 1wpi s LEU 117 Cb -0.06 -1.70 0.03 0.00 0.66 0.00 0.00 46.19 45.12 1wpi s LEU 117 CO 0.82 0.33 0.33 -0.69 -1.89 0.00 0.00 176.35 175.24 1wpi s VAL 118 N -0.61 0.03 0.00 1.68 1.01 -1.26 0.30 120.40 121.55 1wpi s VAL 118 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1wpi s VAL 118 Cb -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1wpi s VAL 118 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1wpi n GLY 119 N 2.16 1.78 3.99 4.51 0.00 -0.77 -4.95 105.19 111.90 1wpi n GLY 119 Ca -0.17 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1wpi n GLY 119 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpi s ASN 120 N 0.00 4.92 0.00 1.61 0.02 -1.26 -2.28 114.94 117.95 1wpi s ASN 120 Ca 0.00 -0.23 0.00 0.00 -1.02 0.00 0.00 52.86 51.61 1wpi s ASN 120 Cb 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 41.25 40.82 1wpi s ASN 120 CO 0.00 -1.42 0.00 1.21 0.02 0.00 0.00 177.10 176.91 1wpi n GLU 121 N -2.50 0.00 0.00 -0.60 2.13 0.55 -4.37 120.64 115.85 1wpi n GLU 121 Ca 0.11 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.75 1wpi n GLU 121 Cb 0.60 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.21 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wpi h PRO 122 N 0.00 0.56 0.00 5.31 0.13 -1.93 -3.10 132.00 132.97 1wpi h PRO 122 Ca 0.00 -0.54 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1wpi h PRO 122 Cb 0.00 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1wpi h PRO 122 CO 0.00 1.17 -0.09 0.00 -0.23 0.00 0.00 178.00 178.84 1wpi h ALA 123 N 0.41 1.49 -0.39 -0.56 0.00 -1.94 -2.10 119.26 116.17 1wpi h ALA 123 Ca -0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1wpi h ALA 123 Cb 1.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1wpi h ALA 123 CO 0.14 0.12 0.13 -0.44 0.00 0.00 0.00 179.25 179.20 1wpi h ASP 124 N 0.00 0.13 -0.68 0.00 5.19 -1.74 -1.90 116.42 117.42 1wpi h ASP 124 Ca -0.00 0.04 0.13 0.00 -0.62 0.00 0.00 57.03 56.58 1wpi h ASP 124 Cb 0.22 0.03 -0.13 0.00 0.18 0.00 0.00 39.33 39.63 1wpi h ASP 124 CO 0.01 0.11 -0.28 0.40 -3.12 0.00 0.00 179.24 176.36 1wpi h ILE 125 N 0.29 0.19 -0.47 0.35 2.04 -1.46 0.49 117.51 118.94 1wpi h ILE 125 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 1wpi h ILE 125 Cb 0.16 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.34 1wpi h ILE 125 CO -0.19 0.00 -0.09 -0.78 0.00 0.00 0.00 178.15 177.09 1wpi h ASP 126 N -0.09 -0.39 0.41 1.72 3.58 -1.45 1.91 116.42 122.11 1wpi h ASP 126 Ca 0.29 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1wpi h ASP 126 Cb 0.55 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 1wpi h ASP 126 CO -0.74 -0.14 -0.42 0.11 -2.88 0.00 0.00 179.24 175.18 1wpi h LYS 127 N 0.02 -0.81 0.00 0.28 6.56 0.16 -3.26 116.57 119.51 1wpi h LYS 127 Ca 0.23 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1wpi h LYS 127 Cb 0.35 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1wpi h LYS 127 CO -0.46 -0.54 0.00 0.66 -2.06 0.00 0.00 179.45 177.05 1wpi n TYR 128 N -5.51 0.00 -3.75 -1.35 4.02 0.90 -4.82 117.16 106.65 1wpi n TYR 128 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.49 1wpi n TYR 128 Cb 0.41 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.59 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1wpi s ILE 129 N -0.17 1.47 0.00 -0.72 -0.00 0.60 -5.01 121.20 117.37 1wpi s ILE 129 Ca 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 60.65 58.19 1wpi s ILE 129 Cb 0.00 -2.04 0.00 0.00 -0.00 0.00 0.00 42.46 40.42 1wpi s ILE 129 CO 0.00 -0.85 0.00 2.30 -0.00 0.00 0.00 174.94 176.39 1wpi n ILE 130 N 3.70 0.00 0.00 8.37 -5.35 0.13 -4.34 119.36 121.87 1wpi n ILE 130 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1wpi n ILE 130 Cb 0.35 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n GLN 131 N 0.00 0.00 -1.84 6.28 10.64 -1.26 -4.49 117.38 126.71 1wpi n GLN 131 Ca 0.00 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1wpi n GLN 131 Cb 0.00 -1.55 0.00 0.00 -0.86 0.00 0.00 30.24 27.83 1wpi n GLN 131 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1wpi n ARG 132 N -1.00 1.42 0.00 2.61 -4.01 -1.26 -4.72 116.66 109.70 1wpi n ARG 132 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1wpi n ARG 132 Cb 0.05 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.47 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76